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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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/atpA_UTR-26a23fc4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/atpA_UTR-26a23fc4/inputs/seq.fa: 1 curr_seq: _AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUGCCAUCCACUCCGAGGUUGAUACCAGCCUCCUCGGUGGAAUGAUCAUCCGCGUCGGAGACGAAGUAAUUGACGGCAGCACCUCGGGCAAACUCGAGCGUCUGCGGGCAAGCUUCGCAUAAAGACACGACGAAUUAGACAACAUUAGUAAUGCUGGAAGAAACAACCGAGAGCAGGAAGAACAUG 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 187 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: 940 n_atoms_counter: 940 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 187.000000 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: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -773.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463006 (E_RNA) where: Base-Base interactions energy: -45.585 where: short stacking energy: -45.585 Base-Backbone interact. energy: -0.000 local terms energy: -727.877651 where: bonds (distance) C4'-P energy: -181.685 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -157.057 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -891.974890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.974890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.974890 (E_RNA) where: Base-Base interactions energy: -352.956 where: short stacking energy: -348.105 Base-Backbone interact. energy: 0.020 local terms energy: -539.039419 where: bonds (distance) C4'-P energy: -116.980 bonds (distance) P-C4' energy: -127.280 flat angles C4'-P-C4' energy: -120.270 flat angles P-C4'-P energy: -82.882 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -866.146117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.146117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.146117 (E_RNA) where: Base-Base interactions energy: -340.997 where: short stacking energy: -337.940 Base-Backbone interact. energy: 1.027 local terms energy: -526.176323 where: bonds (distance) C4'-P energy: -117.602 bonds (distance) P-C4' energy: -132.055 flat angles C4'-P-C4' energy: -119.612 flat angles P-C4'-P energy: -74.728 tors. eta vs tors. theta energy: -82.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -803.757693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.757693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.757693 (E_RNA) where: Base-Base interactions energy: -333.976 where: short stacking energy: -320.855 Base-Backbone interact. energy: -0.609 local terms energy: -469.173491 where: bonds (distance) C4'-P energy: -106.158 bonds (distance) P-C4' energy: -113.387 flat angles C4'-P-C4' energy: -110.265 flat angles P-C4'-P energy: -71.129 tors. eta vs tors. theta energy: -68.234 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: 2 Temperature: 1.050000 Total energy: -773.624289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.624289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.624289 (E_RNA) where: Base-Base interactions energy: -48.934 where: short stacking energy: -48.934 Base-Backbone interact. energy: -0.000 local terms energy: -724.689777 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -136.878 flat angles P-C4'-P energy: -156.476 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -773.570776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.570776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.570776 (E_RNA) where: Base-Base interactions energy: -48.930 where: short stacking energy: -48.930 Base-Backbone interact. energy: -0.000 local terms energy: -724.641061 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -136.878 flat angles P-C4'-P energy: -156.427 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -773.104372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.104372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.104372 (E_RNA) where: Base-Base interactions energy: -48.751 where: short stacking energy: -48.751 Base-Backbone interact. energy: -0.000 local terms energy: -724.352908 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -136.590 flat angles P-C4'-P energy: -156.427 tors. eta vs tors. theta energy: -84.083 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -773.019431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.019431 (E_RNA) where: Base-Base interactions energy: -48.629 where: short stacking energy: -48.629 Base-Backbone interact. energy: -0.000 local terms energy: -724.390150 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -136.590 flat angles P-C4'-P energy: -156.464 tors. eta vs tors. theta energy: -84.083 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: 2 Temperature: 1.250000 Total energy: -773.014743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.014743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.014743 (E_RNA) where: Base-Base interactions energy: -48.624 where: short stacking energy: -48.624 Base-Backbone interact. energy: -0.000 local terms energy: -724.390150 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -136.590 flat angles P-C4'-P energy: -156.464 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -772.760725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.760725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.760725 (E_RNA) where: Base-Base interactions energy: -48.267 where: short stacking energy: -48.267 Base-Backbone interact. energy: -0.000 local terms energy: -724.493576 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.162 flat angles C4'-P-C4' energy: -136.785 flat angles P-C4'-P energy: -156.508 tors. eta vs tors. theta energy: -83.941 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: 2 Temperature: 1.350000 Total energy: -772.759956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.759956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.759956 (E_RNA) where: Base-Base interactions energy: -48.266 where: short stacking energy: -48.266 Base-Backbone interact. energy: -0.000 local terms energy: -724.493576 where: bonds (distance) C4'-P energy: -181.098 bonds (distance) P-C4' energy: -166.162 flat angles C4'-P-C4' energy: -136.785 flat angles P-C4'-P energy: -156.508 tors. eta vs tors. theta energy: -83.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1009.878624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.878624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.878624 (E_RNA) where: Base-Base interactions energy: -479.396 where: short stacking energy: -425.728 Base-Backbone interact. energy: -1.421 local terms energy: -529.061489 where: bonds (distance) C4'-P energy: -105.147 bonds (distance) P-C4' energy: -122.741 flat angles C4'-P-C4' energy: -118.959 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -102.848 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: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -907.089901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.089901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.089901 (E_RNA) where: Base-Base interactions energy: -409.511 where: short stacking energy: -387.990 Base-Backbone interact. energy: -0.279 local terms energy: -497.300347 where: bonds (distance) C4'-P energy: -120.737 bonds (distance) P-C4' energy: -107.890 flat angles C4'-P-C4' energy: -109.003 flat angles P-C4'-P energy: -67.774 tors. eta vs tors. theta energy: -91.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -813.393848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.393848 (E_RNA) where: Base-Base interactions energy: -349.278 where: short stacking energy: -346.189 Base-Backbone interact. energy: -0.883 local terms energy: -463.233296 where: bonds (distance) C4'-P energy: -100.634 bonds (distance) P-C4' energy: -117.142 flat angles C4'-P-C4' energy: -99.507 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -71.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -769.132434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.132434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.132434 (E_RNA) where: Base-Base interactions energy: -330.305 where: short stacking energy: -318.952 Base-Backbone interact. energy: -0.122 local terms energy: -438.705571 where: bonds (distance) C4'-P energy: -105.249 bonds (distance) P-C4' energy: -120.380 flat angles C4'-P-C4' energy: -101.080 flat angles P-C4'-P energy: -55.342 tors. eta vs tors. theta energy: -56.654 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -710.706636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.706636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.706636 (E_RNA) where: Base-Base interactions energy: -269.114 where: short stacking energy: -252.757 Base-Backbone interact. energy: -0.761 local terms energy: -440.831191 where: bonds (distance) C4'-P energy: -101.975 bonds (distance) P-C4' energy: -108.204 flat angles C4'-P-C4' energy: -115.592 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -50.868 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -683.916836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.916836 (E_RNA) where: Base-Base interactions energy: -279.650 where: short stacking energy: -224.786 Base-Backbone interact. energy: 5.045 local terms energy: -409.312200 where: bonds (distance) C4'-P energy: -99.866 bonds (distance) P-C4' energy: -115.409 flat angles C4'-P-C4' energy: -104.865 flat angles P-C4'-P energy: -67.380 tors. eta vs tors. theta energy: -21.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -561.789760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.789760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.789760 (E_RNA) where: Base-Base interactions energy: -187.953 where: short stacking energy: -168.084 Base-Backbone interact. energy: -2.352 local terms energy: -371.485104 where: bonds (distance) C4'-P energy: -78.485 bonds (distance) P-C4' energy: -117.692 flat angles C4'-P-C4' energy: -104.311 flat angles P-C4'-P energy: -67.714 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -597.407454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.407454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.407454 (E_RNA) where: Base-Base interactions energy: -240.574 where: short stacking energy: -197.911 Base-Backbone interact. energy: -2.044 local terms energy: -354.789203 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -105.172 flat angles C4'-P-C4' energy: -93.477 flat angles P-C4'-P energy: -59.706 tors. eta vs tors. theta energy: -8.654 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -531.331536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.331536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.331536 (E_RNA) where: Base-Base interactions energy: -180.161 where: short stacking energy: -171.157 Base-Backbone interact. energy: -0.472 local terms energy: -350.698604 where: bonds (distance) C4'-P energy: -97.518 bonds (distance) P-C4' energy: -100.848 flat angles C4'-P-C4' energy: -97.372 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -8.310 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -451.777330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.777330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.777330 (E_RNA) where: Base-Base interactions energy: -171.545 where: short stacking energy: -147.597 Base-Backbone interact. energy: -2.677 local terms energy: -277.555509 where: bonds (distance) C4'-P energy: -91.868 bonds (distance) P-C4' energy: -76.275 flat angles C4'-P-C4' energy: -78.278 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: 13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1076.150921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.150921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.150921 (E_RNA) where: Base-Base interactions energy: -524.997 where: short stacking energy: -403.707 Base-Backbone interact. energy: -1.108 local terms energy: -550.045508 where: bonds (distance) C4'-P energy: -123.495 bonds (distance) P-C4' energy: -131.693 flat angles C4'-P-C4' energy: -127.381 flat angles P-C4'-P energy: -68.419 tors. eta vs tors. theta energy: -99.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -928.677992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.677992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.677992 (E_RNA) where: Base-Base interactions energy: -403.770 where: short stacking energy: -379.203 Base-Backbone interact. energy: -0.929 local terms energy: -523.979393 where: bonds (distance) C4'-P energy: -113.274 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -114.671 flat angles P-C4'-P energy: -74.883 tors. eta vs tors. theta energy: -101.284 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: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -881.053744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.053744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.053744 (E_RNA) where: Base-Base interactions energy: -415.327 where: short stacking energy: -351.219 Base-Backbone interact. energy: -2.726 local terms energy: -463.000660 where: bonds (distance) C4'-P energy: -111.740 bonds (distance) P-C4' energy: -102.780 flat angles C4'-P-C4' energy: -118.072 flat angles P-C4'-P energy: -61.832 tors. eta vs tors. theta energy: -68.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -743.079091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.079091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.079091 (E_RNA) where: Base-Base interactions energy: -282.664 where: short stacking energy: -257.651 Base-Backbone interact. energy: -0.719 local terms energy: -459.695597 where: bonds (distance) C4'-P energy: -108.873 bonds (distance) P-C4' energy: -112.987 flat angles C4'-P-C4' energy: -115.189 flat angles P-C4'-P energy: -76.034 tors. eta vs tors. theta energy: -46.613 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: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -787.543840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.543840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.543840 (E_RNA) where: Base-Base interactions energy: -374.462 where: short stacking energy: -301.913 Base-Backbone interact. energy: 1.154 local terms energy: -414.235568 where: bonds (distance) C4'-P energy: -84.145 bonds (distance) P-C4' energy: -111.400 flat angles C4'-P-C4' energy: -111.464 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -45.514 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -619.006005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.006005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.006005 (E_RNA) where: Base-Base interactions energy: -217.845 where: short stacking energy: -215.327 Base-Backbone interact. energy: -0.884 local terms energy: -400.276679 where: bonds (distance) C4'-P energy: -106.346 bonds (distance) P-C4' energy: -106.710 flat angles C4'-P-C4' energy: -108.012 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -32.579 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -628.299953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.299953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.299953 (E_RNA) where: Base-Base interactions energy: -273.838 where: short stacking energy: -189.002 Base-Backbone interact. energy: 0.255 local terms energy: -354.716433 where: bonds (distance) C4'-P energy: -98.875 bonds (distance) P-C4' energy: -113.546 flat angles C4'-P-C4' energy: -79.147 flat angles P-C4'-P energy: -47.319 tors. eta vs tors. theta energy: -15.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -541.838542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.838542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.838542 (E_RNA) where: Base-Base interactions energy: -198.297 where: short stacking energy: -183.639 Base-Backbone interact. energy: 0.920 local terms energy: -344.461271 where: bonds (distance) C4'-P energy: -86.664 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -91.852 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -7.793 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -477.646591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.646591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.646591 (E_RNA) where: Base-Base interactions energy: -182.202 where: short stacking energy: -167.806 Base-Backbone interact. energy: 2.456 local terms energy: -297.900853 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -98.880 flat angles C4'-P-C4' energy: -79.411 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: 4.158 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: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -494.528019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.528019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.528019 (E_RNA) where: Base-Base interactions energy: -181.365 where: short stacking energy: -134.780 Base-Backbone interact. energy: 0.310 local terms energy: -313.473259 where: bonds (distance) C4'-P energy: -72.879 bonds (distance) P-C4' energy: -106.785 flat angles C4'-P-C4' energy: -90.861 flat angles P-C4'-P energy: -53.690 tors. eta vs tors. theta energy: 10.743 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1115.236550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.236550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.236550 (E_RNA) where: Base-Base interactions energy: -562.605 where: short stacking energy: -430.518 Base-Backbone interact. energy: -2.204 local terms energy: -550.427407 where: bonds (distance) C4'-P energy: -114.971 bonds (distance) P-C4' energy: -127.568 flat angles C4'-P-C4' energy: -115.651 flat angles P-C4'-P energy: -85.897 tors. eta vs tors. theta energy: -106.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1022.392588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.392588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.392588 (E_RNA) where: Base-Base interactions energy: -543.040 where: short stacking energy: -369.859 Base-Backbone interact. energy: -2.306 local terms energy: -477.046729 where: bonds (distance) C4'-P energy: -119.125 bonds (distance) P-C4' energy: -112.887 flat angles C4'-P-C4' energy: -103.227 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -71.366 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: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -928.395090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.395090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.395090 (E_RNA) where: Base-Base interactions energy: -455.359 where: short stacking energy: -317.648 Base-Backbone interact. energy: -1.481 local terms energy: -471.554566 where: bonds (distance) C4'-P energy: -101.527 bonds (distance) P-C4' energy: -112.370 flat angles C4'-P-C4' energy: -117.452 flat angles P-C4'-P energy: -78.663 tors. eta vs tors. theta energy: -61.542 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: 5 Temperature: 1.050000 Total energy: -915.039136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.039136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.039136 (E_RNA) where: Base-Base interactions energy: -483.303 where: short stacking energy: -315.954 Base-Backbone interact. energy: -3.163 local terms energy: -428.572598 where: bonds (distance) C4'-P energy: -102.978 bonds (distance) P-C4' energy: -106.993 flat angles C4'-P-C4' energy: -108.299 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: -45.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -735.052957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.052957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.052957 (E_RNA) where: Base-Base interactions energy: -321.703 where: short stacking energy: -261.676 Base-Backbone interact. energy: -1.555 local terms energy: -411.794447 where: bonds (distance) C4'-P energy: -102.374 bonds (distance) P-C4' energy: -97.867 flat angles C4'-P-C4' energy: -118.832 flat angles P-C4'-P energy: -63.971 tors. eta vs tors. theta energy: -28.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -693.130587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.130587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.130587 (E_RNA) where: Base-Base interactions energy: -290.807 where: short stacking energy: -212.902 Base-Backbone interact. energy: -2.001 local terms energy: -400.322713 where: bonds (distance) C4'-P energy: -95.166 bonds (distance) P-C4' energy: -124.292 flat angles C4'-P-C4' energy: -94.896 flat angles P-C4'-P energy: -54.866 tors. eta vs tors. theta energy: -31.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -695.054720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.054720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.054720 (E_RNA) where: Base-Base interactions energy: -337.772 where: short stacking energy: -211.710 Base-Backbone interact. energy: -3.322 local terms energy: -353.961200 where: bonds (distance) C4'-P energy: -91.006 bonds (distance) P-C4' energy: -102.449 flat angles C4'-P-C4' energy: -84.755 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -539.136957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.136957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.136957 (E_RNA) where: Base-Base interactions energy: -210.348 where: short stacking energy: -169.763 Base-Backbone interact. energy: -2.460 local terms energy: -326.329347 where: bonds (distance) C4'-P energy: -115.157 bonds (distance) P-C4' energy: -100.900 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -48.967 tors. eta vs tors. theta energy: 7.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -509.912140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.912140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.912140 (E_RNA) where: Base-Base interactions energy: -183.654 where: short stacking energy: -147.754 Base-Backbone interact. energy: 2.274 local terms energy: -328.531871 where: bonds (distance) C4'-P energy: -96.954 bonds (distance) P-C4' energy: -111.168 flat angles C4'-P-C4' energy: -83.965 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: 15.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -483.022706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.022706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.022706 (E_RNA) where: Base-Base interactions energy: -187.683 where: short stacking energy: -141.798 Base-Backbone interact. energy: 4.944 local terms energy: -300.283731 where: bonds (distance) C4'-P energy: -94.317 bonds (distance) P-C4' energy: -87.167 flat angles C4'-P-C4' energy: -80.539 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: 18.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1151.669799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.669799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.669799 (E_RNA) where: Base-Base interactions energy: -577.083 where: short stacking energy: -425.436 Base-Backbone interact. energy: -3.070 local terms energy: -571.517208 where: bonds (distance) C4'-P energy: -127.663 bonds (distance) P-C4' energy: -126.564 flat angles C4'-P-C4' energy: -116.513 flat angles P-C4'-P energy: -84.398 tors. eta vs tors. theta energy: -116.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1067.999942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.999942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.999942 (E_RNA) where: Base-Base interactions energy: -564.519 where: short stacking energy: -393.663 Base-Backbone interact. energy: -1.640 local terms energy: -501.840926 where: bonds (distance) C4'-P energy: -114.407 bonds (distance) P-C4' energy: -111.230 flat angles C4'-P-C4' energy: -110.990 flat angles P-C4'-P energy: -71.841 tors. eta vs tors. theta energy: -93.374 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: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1022.842527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.842527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.842527 (E_RNA) where: Base-Base interactions energy: -530.060 where: short stacking energy: -366.494 Base-Backbone interact. energy: -1.088 local terms energy: -491.694275 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -99.780 flat angles C4'-P-C4' energy: -119.615 flat angles P-C4'-P energy: -76.195 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -950.134054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.134054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.134054 (E_RNA) where: Base-Base interactions energy: -508.524 where: short stacking energy: -350.212 Base-Backbone interact. energy: -2.051 local terms energy: -439.558920 where: bonds (distance) C4'-P energy: -97.660 bonds (distance) P-C4' energy: -101.884 flat angles C4'-P-C4' energy: -109.708 flat angles P-C4'-P energy: -51.316 tors. eta vs tors. theta energy: -78.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -868.424485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.424485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.424485 (E_RNA) where: Base-Base interactions energy: -427.319 where: short stacking energy: -229.176 Base-Backbone interact. energy: 0.737 local terms energy: -441.842610 where: bonds (distance) C4'-P energy: -122.172 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -112.460 flat angles P-C4'-P energy: -72.788 tors. eta vs tors. theta energy: -32.473 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: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -751.262634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.262634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.262634 (E_RNA) where: Base-Base interactions energy: -359.819 where: short stacking energy: -213.568 Base-Backbone interact. energy: 3.027 local terms energy: -394.470599 where: bonds (distance) C4'-P energy: -103.312 bonds (distance) P-C4' energy: -113.104 flat angles C4'-P-C4' energy: -91.351 flat angles P-C4'-P energy: -71.735 tors. eta vs tors. theta energy: -14.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -742.100703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.100703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.100703 (E_RNA) where: Base-Base interactions energy: -359.557 where: short stacking energy: -215.822 Base-Backbone interact. energy: -0.563 local terms energy: -381.981105 where: bonds (distance) C4'-P energy: -91.997 bonds (distance) P-C4' energy: -112.907 flat angles C4'-P-C4' energy: -91.076 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -33.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -575.513281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.513281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.513281 (E_RNA) where: Base-Base interactions energy: -250.421 where: short stacking energy: -195.917 Base-Backbone interact. energy: -0.005 local terms energy: -325.087076 where: bonds (distance) C4'-P energy: -87.929 bonds (distance) P-C4' energy: -99.201 flat angles C4'-P-C4' energy: -92.185 flat angles P-C4'-P energy: -32.582 tors. eta vs tors. theta energy: -13.190 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: 6 Temperature: 1.300000 Total energy: -526.828191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.828191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.828191 (E_RNA) where: Base-Base interactions energy: -214.218 where: short stacking energy: -154.216 Base-Backbone interact. energy: 2.664 local terms energy: -315.273886 where: bonds (distance) C4'-P energy: -99.293 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -67.560 flat angles P-C4'-P energy: -39.906 tors. eta vs tors. theta energy: -11.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -467.303506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.303506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.303506 (E_RNA) where: Base-Base interactions energy: -190.587 where: short stacking energy: -140.416 Base-Backbone interact. energy: -3.591 local terms energy: -273.125593 where: bonds (distance) C4'-P energy: -75.788 bonds (distance) P-C4' energy: -99.241 flat angles C4'-P-C4' energy: -92.549 flat angles P-C4'-P energy: -29.963 tors. eta vs tors. theta energy: 24.415 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1236.635641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.635641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.635641 (E_RNA) where: Base-Base interactions energy: -683.730 where: short stacking energy: -435.295 Base-Backbone interact. energy: 0.740 local terms energy: -553.645007 where: bonds (distance) C4'-P energy: -118.686 bonds (distance) P-C4' energy: -121.178 flat angles C4'-P-C4' energy: -126.507 flat angles P-C4'-P energy: -79.315 tors. eta vs tors. theta energy: -107.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1117.197590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.197590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.197590 (E_RNA) where: Base-Base interactions energy: -630.730 where: short stacking energy: -407.536 Base-Backbone interact. energy: -1.990 local terms energy: -484.477676 where: bonds (distance) C4'-P energy: -101.258 bonds (distance) P-C4' energy: -115.548 flat angles C4'-P-C4' energy: -107.676 flat angles P-C4'-P energy: -66.769 tors. eta vs tors. theta energy: -93.226 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: 7 Temperature: 1.000000 Total energy: -1033.998821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.998821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.998821 (E_RNA) where: Base-Base interactions energy: -525.538 where: short stacking energy: -363.591 Base-Backbone interact. energy: -1.131 local terms energy: -507.329704 where: bonds (distance) C4'-P energy: -109.300 bonds (distance) P-C4' energy: -127.235 flat angles C4'-P-C4' energy: -117.138 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -83.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -888.129804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.129804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.129804 (E_RNA) where: Base-Base interactions energy: -436.521 where: short stacking energy: -292.931 Base-Backbone interact. energy: -1.175 local terms energy: -450.434094 where: bonds (distance) C4'-P energy: -87.722 bonds (distance) P-C4' energy: -120.846 flat angles C4'-P-C4' energy: -116.231 flat angles P-C4'-P energy: -66.784 tors. eta vs tors. theta energy: -58.851 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: 5, replica: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -890.882903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.882903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.882903 (E_RNA) where: Base-Base interactions energy: -481.590 where: short stacking energy: -266.565 Base-Backbone interact. energy: -1.440 local terms energy: -407.853309 where: bonds (distance) C4'-P energy: -103.882 bonds (distance) P-C4' energy: -118.453 flat angles C4'-P-C4' energy: -107.669 flat angles P-C4'-P energy: -58.567 tors. eta vs tors. theta energy: -19.283 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: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -755.681834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.681834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.681834 (E_RNA) where: Base-Base interactions energy: -370.177 where: short stacking energy: -252.107 Base-Backbone interact. energy: -2.172 local terms energy: -383.332514 where: bonds (distance) C4'-P energy: -99.308 bonds (distance) P-C4' energy: -114.851 flat angles C4'-P-C4' energy: -84.067 flat angles P-C4'-P energy: -55.893 tors. eta vs tors. theta energy: -29.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -668.892834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.892834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.892834 (E_RNA) where: Base-Base interactions energy: -297.973 where: short stacking energy: -210.798 Base-Backbone interact. energy: 5.864 local terms energy: -376.783923 where: bonds (distance) C4'-P energy: -100.485 bonds (distance) P-C4' energy: -114.389 flat angles C4'-P-C4' energy: -84.279 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -25.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -616.358474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.358474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.358474 (E_RNA) where: Base-Base interactions energy: -246.614 where: short stacking energy: -176.415 Base-Backbone interact. energy: -0.000 local terms energy: -369.744455 where: bonds (distance) C4'-P energy: -90.030 bonds (distance) P-C4' energy: -109.111 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -68.413 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -541.871943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.871943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.871943 (E_RNA) where: Base-Base interactions energy: -217.633 where: short stacking energy: -164.497 Base-Backbone interact. energy: -2.422 local terms energy: -321.817247 where: bonds (distance) C4'-P energy: -92.992 bonds (distance) P-C4' energy: -95.916 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -496.110899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.110899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.110899 (E_RNA) where: Base-Base interactions energy: -190.441 where: short stacking energy: -116.834 Base-Backbone interact. energy: 2.229 local terms energy: -307.898860 where: bonds (distance) C4'-P energy: -115.702 bonds (distance) P-C4' energy: -90.883 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -50.767 tors. eta vs tors. theta energy: 22.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1282.804250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.804250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.804250 (E_RNA) where: Base-Base interactions energy: -740.984 where: short stacking energy: -453.411 Base-Backbone interact. energy: -1.731 local terms energy: -540.089240 where: bonds (distance) C4'-P energy: -112.553 bonds (distance) P-C4' energy: -120.871 flat angles C4'-P-C4' energy: -131.626 flat angles P-C4'-P energy: -67.777 tors. eta vs tors. theta energy: -107.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1214.061716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.061716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.061716 (E_RNA) where: Base-Base interactions energy: -689.194 where: short stacking energy: -431.558 Base-Backbone interact. energy: 1.522 local terms energy: -526.389849 where: bonds (distance) C4'-P energy: -110.045 bonds (distance) P-C4' energy: -115.738 flat angles C4'-P-C4' energy: -126.497 flat angles P-C4'-P energy: -81.649 tors. eta vs tors. theta energy: -92.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1082.188487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.188487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.188487 (E_RNA) where: Base-Base interactions energy: -599.791 where: short stacking energy: -368.295 Base-Backbone interact. energy: -1.182 local terms energy: -481.215590 where: bonds (distance) C4'-P energy: -106.557 bonds (distance) P-C4' energy: -105.492 flat angles C4'-P-C4' energy: -106.887 flat angles P-C4'-P energy: -68.413 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: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -979.467474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.467474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.467474 (E_RNA) where: Base-Base interactions energy: -517.463 where: short stacking energy: -340.622 Base-Backbone interact. energy: -0.841 local terms energy: -461.164167 where: bonds (distance) C4'-P energy: -104.073 bonds (distance) P-C4' energy: -125.704 flat angles C4'-P-C4' energy: -95.993 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -72.570 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: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -943.822424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.822424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.822424 (E_RNA) where: Base-Base interactions energy: -514.243 where: short stacking energy: -310.839 Base-Backbone interact. energy: 2.917 local terms energy: -432.496480 where: bonds (distance) C4'-P energy: -96.525 bonds (distance) P-C4' energy: -110.372 flat angles C4'-P-C4' energy: -100.745 flat angles P-C4'-P energy: -75.009 tors. eta vs tors. theta energy: -49.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -841.225055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.225055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.225055 (E_RNA) where: Base-Base interactions energy: -444.668 where: short stacking energy: -277.533 Base-Backbone interact. energy: -2.993 local terms energy: -393.564130 where: bonds (distance) C4'-P energy: -104.939 bonds (distance) P-C4' energy: -103.593 flat angles C4'-P-C4' energy: -102.494 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -37.716 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: 3 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -750.594570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.594570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.594570 (E_RNA) where: Base-Base interactions energy: -339.467 where: short stacking energy: -228.133 Base-Backbone interact. energy: 1.115 local terms energy: -412.241690 where: bonds (distance) C4'-P energy: -108.828 bonds (distance) P-C4' energy: -102.665 flat angles C4'-P-C4' energy: -109.007 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -33.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -612.306740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.306740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.306740 (E_RNA) where: Base-Base interactions energy: -260.585 where: short stacking energy: -192.697 Base-Backbone interact. energy: -0.065 local terms energy: -351.656696 where: bonds (distance) C4'-P energy: -96.641 bonds (distance) P-C4' energy: -105.783 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -56.561 tors. eta vs tors. theta energy: -17.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -569.634197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.634197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.634197 (E_RNA) where: Base-Base interactions energy: -240.624 where: short stacking energy: -151.726 Base-Backbone interact. energy: -2.748 local terms energy: -326.262486 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -105.906 flat angles C4'-P-C4' energy: -86.926 flat angles P-C4'-P energy: -54.971 tors. eta vs tors. theta energy: 3.614 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: 8 Temperature: 1.350000 Total energy: -449.219602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.219602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.219602 (E_RNA) where: Base-Base interactions energy: -150.005 where: short stacking energy: -127.584 Base-Backbone interact. energy: 2.033 local terms energy: -301.247925 where: bonds (distance) C4'-P energy: -86.710 bonds (distance) P-C4' energy: -103.585 flat angles C4'-P-C4' energy: -80.837 flat angles P-C4'-P energy: -40.169 tors. eta vs tors. theta energy: 10.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1272.980270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.980270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.980270 (E_RNA) where: Base-Base interactions energy: -711.201 where: short stacking energy: -468.832 Base-Backbone interact. energy: 0.033 local terms energy: -561.812343 where: bonds (distance) C4'-P energy: -119.723 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -114.766 flat angles P-C4'-P energy: -83.922 tors. eta vs tors. theta energy: -116.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1212.079777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.079777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.079777 (E_RNA) where: Base-Base interactions energy: -690.484 where: short stacking energy: -411.679 Base-Backbone interact. energy: 2.366 local terms energy: -523.961568 where: bonds (distance) C4'-P energy: -106.487 bonds (distance) P-C4' energy: -129.852 flat angles C4'-P-C4' energy: -121.969 flat angles P-C4'-P energy: -66.016 tors. eta vs tors. theta energy: -99.638 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1103.364091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.364091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.364091 (E_RNA) where: Base-Base interactions energy: -603.118 where: short stacking energy: -397.249 Base-Backbone interact. energy: -0.400 local terms energy: -499.846184 where: bonds (distance) C4'-P energy: -99.235 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -69.152 tors. eta vs tors. theta energy: -99.152 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: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -998.774961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.774961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.774961 (E_RNA) where: Base-Base interactions energy: -561.542 where: short stacking energy: -332.113 Base-Backbone interact. energy: -0.087 local terms energy: -437.145492 where: bonds (distance) C4'-P energy: -109.841 bonds (distance) P-C4' energy: -94.567 flat angles C4'-P-C4' energy: -100.739 flat angles P-C4'-P energy: -68.772 tors. eta vs tors. theta energy: -63.227 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: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -956.911213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.911213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.911213 (E_RNA) where: Base-Base interactions energy: -508.748 where: short stacking energy: -296.532 Base-Backbone interact. energy: -2.302 local terms energy: -445.861266 where: bonds (distance) C4'-P energy: -108.736 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -115.245 flat angles P-C4'-P energy: -62.337 tors. eta vs tors. theta energy: -48.491 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: 3 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -727.596948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.596948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.596948 (E_RNA) where: Base-Base interactions energy: -341.117 where: short stacking energy: -239.875 Base-Backbone interact. energy: 6.088 local terms energy: -392.568153 where: bonds (distance) C4'-P energy: -91.475 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -90.034 flat angles P-C4'-P energy: -74.832 tors. eta vs tors. theta energy: -20.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -741.458103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.458103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.458103 (E_RNA) where: Base-Base interactions energy: -377.504 where: short stacking energy: -218.475 Base-Backbone interact. energy: -1.443 local terms energy: -362.511172 where: bonds (distance) C4'-P energy: -88.563 bonds (distance) P-C4' energy: -103.824 flat angles C4'-P-C4' energy: -99.182 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -19.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -619.509306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.509306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.509306 (E_RNA) where: Base-Base interactions energy: -297.627 where: short stacking energy: -184.779 Base-Backbone interact. energy: -2.454 local terms energy: -319.428253 where: bonds (distance) C4'-P energy: -83.732 bonds (distance) P-C4' energy: -93.237 flat angles C4'-P-C4' energy: -102.397 flat angles P-C4'-P energy: -38.072 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -489.252748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.252748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.252748 (E_RNA) where: Base-Base interactions energy: -178.615 where: short stacking energy: -145.465 Base-Backbone interact. energy: 1.234 local terms energy: -311.871701 where: bonds (distance) C4'-P energy: -99.588 bonds (distance) P-C4' energy: -110.601 flat angles C4'-P-C4' energy: -76.530 flat angles P-C4'-P energy: -38.083 tors. eta vs tors. theta energy: 12.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -468.376203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.376203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.376203 (E_RNA) where: Base-Base interactions energy: -178.980 where: short stacking energy: -139.731 Base-Backbone interact. energy: 3.835 local terms energy: -293.231693 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -92.481 flat angles C4'-P-C4' energy: -83.836 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: 17.646 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: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1263.958040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.958040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.958040 (E_RNA) where: Base-Base interactions energy: -729.251 where: short stacking energy: -479.438 Base-Backbone interact. energy: 0.319 local terms energy: -535.025920 where: bonds (distance) C4'-P energy: -117.765 bonds (distance) P-C4' energy: -100.535 flat angles C4'-P-C4' energy: -116.377 flat angles P-C4'-P energy: -80.016 tors. eta vs tors. theta energy: -120.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1242.988429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.988429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.988429 (E_RNA) where: Base-Base interactions energy: -698.993 where: short stacking energy: -401.617 Base-Backbone interact. energy: -2.689 local terms energy: -541.306621 where: bonds (distance) C4'-P energy: -123.049 bonds (distance) P-C4' energy: -114.124 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -71.943 tors. eta vs tors. theta energy: -107.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1061.005444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.005444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.005444 (E_RNA) where: Base-Base interactions energy: -574.801 where: short stacking energy: -371.537 Base-Backbone interact. energy: -2.120 local terms energy: -484.084674 where: bonds (distance) C4'-P energy: -98.718 bonds (distance) P-C4' energy: -124.493 flat angles C4'-P-C4' energy: -111.486 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: -78.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1002.660619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.660619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.660619 (E_RNA) where: Base-Base interactions energy: -543.534 where: short stacking energy: -336.993 Base-Backbone interact. energy: -0.784 local terms energy: -458.342881 where: bonds (distance) C4'-P energy: -102.010 bonds (distance) P-C4' energy: -113.532 flat angles C4'-P-C4' energy: -102.985 flat angles P-C4'-P energy: -70.498 tors. eta vs tors. theta energy: -69.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1058.294622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.294622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.294622 (E_RNA) where: Base-Base interactions energy: -629.843 where: short stacking energy: -315.357 Base-Backbone interact. energy: -2.163 local terms energy: -426.289408 where: bonds (distance) C4'-P energy: -101.938 bonds (distance) P-C4' energy: -123.213 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -50.840 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: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -878.977688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.977688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.977688 (E_RNA) where: Base-Base interactions energy: -472.469 where: short stacking energy: -282.150 Base-Backbone interact. energy: -2.612 local terms energy: -403.896120 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -112.181 flat angles C4'-P-C4' energy: -94.158 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -33.838 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: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -749.053864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.053864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.053864 (E_RNA) where: Base-Base interactions energy: -368.929 where: short stacking energy: -249.926 Base-Backbone interact. energy: -0.820 local terms energy: -379.304373 where: bonds (distance) C4'-P energy: -108.146 bonds (distance) P-C4' energy: -105.199 flat angles C4'-P-C4' energy: -78.314 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -614.606511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.606511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.606511 (E_RNA) where: Base-Base interactions energy: -290.174 where: short stacking energy: -194.486 Base-Backbone interact. energy: 0.252 local terms energy: -324.684976 where: bonds (distance) C4'-P energy: -78.526 bonds (distance) P-C4' energy: -103.534 flat angles C4'-P-C4' energy: -97.815 flat angles P-C4'-P energy: -26.612 tors. eta vs tors. theta energy: -18.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -525.336851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.336851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.336851 (E_RNA) where: Base-Base interactions energy: -241.014 where: short stacking energy: -150.341 Base-Backbone interact. energy: 0.726 local terms energy: -285.049117 where: bonds (distance) C4'-P energy: -102.340 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -86.472 flat angles P-C4'-P energy: -21.458 tors. eta vs tors. theta energy: 14.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -438.233251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.233251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.233251 (E_RNA) where: Base-Base interactions energy: -159.019 where: short stacking energy: -123.934 Base-Backbone interact. energy: 0.190 local terms energy: -279.403737 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -98.099 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -20.910 tors. eta vs tors. theta energy: 27.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1291.195937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.195937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.195937 (E_RNA) where: Base-Base interactions energy: -734.182 where: short stacking energy: -439.496 Base-Backbone interact. energy: 4.493 local terms energy: -561.507326 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -134.230 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -114.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1234.823965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.823965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.823965 (E_RNA) where: Base-Base interactions energy: -708.718 where: short stacking energy: -420.511 Base-Backbone interact. energy: -0.057 local terms energy: -526.049463 where: bonds (distance) C4'-P energy: -98.297 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -118.671 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -105.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1105.793171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.793171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.793171 (E_RNA) where: Base-Base interactions energy: -609.082 where: short stacking energy: -380.290 Base-Backbone interact. energy: -0.992 local terms energy: -495.719052 where: bonds (distance) C4'-P energy: -123.822 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -101.539 flat angles P-C4'-P energy: -74.570 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: 4, replica: 9 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1125.686998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.686998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.686998 (E_RNA) where: Base-Base interactions energy: -653.132 where: short stacking energy: -350.543 Base-Backbone interact. energy: -2.192 local terms energy: -470.362441 where: bonds (distance) C4'-P energy: -104.862 bonds (distance) P-C4' energy: -110.828 flat angles C4'-P-C4' energy: -98.657 flat angles P-C4'-P energy: -75.347 tors. eta vs tors. theta energy: -80.669 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: 11 Temperature: 1.100000 Total energy: -958.411884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.411884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.411884 (E_RNA) where: Base-Base interactions energy: -507.661 where: short stacking energy: -319.491 Base-Backbone interact. energy: -2.600 local terms energy: -448.150570 where: bonds (distance) C4'-P energy: -92.474 bonds (distance) P-C4' energy: -119.455 flat angles C4'-P-C4' energy: -107.855 flat angles P-C4'-P energy: -71.926 tors. eta vs tors. theta energy: -56.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -997.005524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.005524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.005524 (E_RNA) where: Base-Base interactions energy: -561.805 where: short stacking energy: -281.494 Base-Backbone interact. energy: 1.357 local terms energy: -436.557860 where: bonds (distance) C4'-P energy: -105.209 bonds (distance) P-C4' energy: -112.725 flat angles C4'-P-C4' energy: -99.304 flat angles P-C4'-P energy: -70.668 tors. eta vs tors. theta energy: -48.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -781.112567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.112567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.112567 (E_RNA) where: Base-Base interactions energy: -384.065 where: short stacking energy: -213.684 Base-Backbone interact. energy: -3.520 local terms energy: -393.528121 where: bonds (distance) C4'-P energy: -89.193 bonds (distance) P-C4' energy: -101.999 flat angles C4'-P-C4' energy: -105.568 flat angles P-C4'-P energy: -63.059 tors. eta vs tors. theta energy: -33.710 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: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -563.096103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.096103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.096103 (E_RNA) where: Base-Base interactions energy: -207.065 where: short stacking energy: -171.007 Base-Backbone interact. energy: -2.242 local terms energy: -353.788607 where: bonds (distance) C4'-P energy: -105.551 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -98.521 flat angles P-C4'-P energy: -43.577 tors. eta vs tors. theta energy: 1.013 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: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -568.033170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.033170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.033170 (E_RNA) where: Base-Base interactions energy: -269.963 where: short stacking energy: -157.338 Base-Backbone interact. energy: -1.181 local terms energy: -296.888874 where: bonds (distance) C4'-P energy: -92.380 bonds (distance) P-C4' energy: -111.601 flat angles C4'-P-C4' energy: -76.495 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: 21.891 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: 11 Temperature: 1.350000 Total energy: -446.562713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.562713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.562713 (E_RNA) where: Base-Base interactions energy: -172.298 where: short stacking energy: -132.559 Base-Backbone interact. energy: 1.283 local terms energy: -275.547734 where: bonds (distance) C4'-P energy: -91.808 bonds (distance) P-C4' energy: -102.690 flat angles C4'-P-C4' energy: -73.462 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: 27.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1329.995221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.995221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.995221 (E_RNA) where: Base-Base interactions energy: -774.570 where: short stacking energy: -438.433 Base-Backbone interact. energy: -1.699 local terms energy: -553.725592 where: bonds (distance) C4'-P energy: -107.490 bonds (distance) P-C4' energy: -125.719 flat angles C4'-P-C4' energy: -126.845 flat angles P-C4'-P energy: -78.543 tors. eta vs tors. theta energy: -115.128 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1270.499899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.499899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.499899 (E_RNA) where: Base-Base interactions energy: -742.091 where: short stacking energy: -413.110 Base-Backbone interact. energy: -1.533 local terms energy: -526.875037 where: bonds (distance) C4'-P energy: -112.411 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -120.187 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -99.410 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: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1128.089648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.089648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.089648 (E_RNA) where: Base-Base interactions energy: -638.288 where: short stacking energy: -389.264 Base-Backbone interact. energy: -2.460 local terms energy: -487.341495 where: bonds (distance) C4'-P energy: -105.519 bonds (distance) P-C4' energy: -109.690 flat angles C4'-P-C4' energy: -103.494 flat angles P-C4'-P energy: -76.769 tors. eta vs tors. theta energy: -91.869 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: 9 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1154.677472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.677472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.677472 (E_RNA) where: Base-Base interactions energy: -654.477 where: short stacking energy: -339.602 Base-Backbone interact. energy: -3.231 local terms energy: -496.969072 where: bonds (distance) C4'-P energy: -106.151 bonds (distance) P-C4' energy: -122.825 flat angles C4'-P-C4' energy: -107.971 flat angles P-C4'-P energy: -83.652 tors. eta vs tors. theta energy: -76.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1041.462821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.462821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.462821 (E_RNA) where: Base-Base interactions energy: -575.539 where: short stacking energy: -316.616 Base-Backbone interact. energy: -1.193 local terms energy: -464.731013 where: bonds (distance) C4'-P energy: -105.874 bonds (distance) P-C4' energy: -110.313 flat angles C4'-P-C4' energy: -125.629 flat angles P-C4'-P energy: -66.222 tors. eta vs tors. theta energy: -56.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -900.908987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.908987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.908987 (E_RNA) where: Base-Base interactions energy: -486.717 where: short stacking energy: -241.373 Base-Backbone interact. energy: -0.175 local terms energy: -414.017283 where: bonds (distance) C4'-P energy: -99.772 bonds (distance) P-C4' energy: -95.634 flat angles C4'-P-C4' energy: -105.465 flat angles P-C4'-P energy: -72.435 tors. eta vs tors. theta energy: -40.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -800.084580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.084580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.084580 (E_RNA) where: Base-Base interactions energy: -421.083 where: short stacking energy: -262.598 Base-Backbone interact. energy: 0.960 local terms energy: -379.961940 where: bonds (distance) C4'-P energy: -98.079 bonds (distance) P-C4' energy: -100.482 flat angles C4'-P-C4' energy: -94.377 flat angles P-C4'-P energy: -51.664 tors. eta vs tors. theta energy: -35.359 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: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -615.196222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.196222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.196222 (E_RNA) where: Base-Base interactions energy: -288.115 where: short stacking energy: -181.648 Base-Backbone interact. energy: -0.067 local terms energy: -327.013893 where: bonds (distance) C4'-P energy: -92.350 bonds (distance) P-C4' energy: -89.836 flat angles C4'-P-C4' energy: -88.260 flat angles P-C4'-P energy: -56.033 tors. eta vs tors. theta energy: -0.536 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: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -585.542945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.542945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.542945 (E_RNA) where: Base-Base interactions energy: -242.488 where: short stacking energy: -161.390 Base-Backbone interact. energy: 5.962 local terms energy: -349.017251 where: bonds (distance) C4'-P energy: -92.758 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -88.571 flat angles P-C4'-P energy: -60.469 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -488.523663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.523663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.523663 (E_RNA) where: Base-Base interactions energy: -174.871 where: short stacking energy: -151.015 Base-Backbone interact. energy: 2.752 local terms energy: -316.404470 where: bonds (distance) C4'-P energy: -93.229 bonds (distance) P-C4' energy: -104.686 flat angles C4'-P-C4' energy: -73.955 flat angles P-C4'-P energy: -48.273 tors. eta vs tors. theta energy: 3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1386.439703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.439703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.439703 (E_RNA) where: Base-Base interactions energy: -815.939 where: short stacking energy: -454.683 Base-Backbone interact. energy: -2.348 local terms energy: -568.153000 where: bonds (distance) C4'-P energy: -112.676 bonds (distance) P-C4' energy: -122.456 flat angles C4'-P-C4' energy: -126.194 flat angles P-C4'-P energy: -86.174 tors. eta vs tors. theta energy: -120.653 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: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1353.935546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.935546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.935546 (E_RNA) where: Base-Base interactions energy: -827.103 where: short stacking energy: -421.923 Base-Backbone interact. energy: -1.179 local terms energy: -525.653421 where: bonds (distance) C4'-P energy: -109.213 bonds (distance) P-C4' energy: -108.167 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -76.808 tors. eta vs tors. theta energy: -110.207 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: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1136.414369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.414369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.414369 (E_RNA) where: Base-Base interactions energy: -641.675 where: short stacking energy: -396.471 Base-Backbone interact. energy: -1.624 local terms energy: -493.115203 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -96.183 flat angles C4'-P-C4' energy: -105.940 flat angles P-C4'-P energy: -76.261 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: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1129.746430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.746430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.746430 (E_RNA) where: Base-Base interactions energy: -670.170 where: short stacking energy: -363.946 Base-Backbone interact. energy: -0.452 local terms energy: -459.123823 where: bonds (distance) C4'-P energy: -102.176 bonds (distance) P-C4' energy: -119.901 flat angles C4'-P-C4' energy: -99.918 flat angles P-C4'-P energy: -78.568 tors. eta vs tors. theta energy: -58.562 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: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1030.143447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.143447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.143447 (E_RNA) where: Base-Base interactions energy: -589.766 where: short stacking energy: -312.405 Base-Backbone interact. energy: -1.521 local terms energy: -438.856529 where: bonds (distance) C4'-P energy: -101.285 bonds (distance) P-C4' energy: -96.026 flat angles C4'-P-C4' energy: -113.019 flat angles P-C4'-P energy: -74.446 tors. eta vs tors. theta energy: -54.080 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: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -897.053620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.053620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.053620 (E_RNA) where: Base-Base interactions energy: -503.360 where: short stacking energy: -285.671 Base-Backbone interact. energy: -1.933 local terms energy: -391.760864 where: bonds (distance) C4'-P energy: -92.999 bonds (distance) P-C4' energy: -92.512 flat angles C4'-P-C4' energy: -113.632 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -39.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -773.879618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.879618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.879618 (E_RNA) where: Base-Base interactions energy: -367.403 where: short stacking energy: -217.672 Base-Backbone interact. energy: 3.451 local terms energy: -409.927615 where: bonds (distance) C4'-P energy: -94.311 bonds (distance) P-C4' energy: -113.073 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -22.902 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: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -704.045669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.045669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.045669 (E_RNA) where: Base-Base interactions energy: -355.665 where: short stacking energy: -208.612 Base-Backbone interact. energy: 1.268 local terms energy: -349.649209 where: bonds (distance) C4'-P energy: -92.823 bonds (distance) P-C4' energy: -99.997 flat angles C4'-P-C4' energy: -82.312 flat angles P-C4'-P energy: -54.935 tors. eta vs tors. theta energy: -19.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -578.858261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.858261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.858261 (E_RNA) where: Base-Base interactions energy: -268.570 where: short stacking energy: -154.729 Base-Backbone interact. energy: 0.134 local terms energy: -310.422414 where: bonds (distance) C4'-P energy: -70.711 bonds (distance) P-C4' energy: -114.673 flat angles C4'-P-C4' energy: -79.750 flat angles P-C4'-P energy: -54.924 tors. eta vs tors. theta energy: 9.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -451.032225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.032225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.032225 (E_RNA) where: Base-Base interactions energy: -153.411 where: short stacking energy: -130.060 Base-Backbone interact. energy: -3.535 local terms energy: -294.086964 where: bonds (distance) C4'-P energy: -100.829 bonds (distance) P-C4' energy: -87.338 flat angles C4'-P-C4' energy: -66.007 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: 25.201 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: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1462.565037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.565037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.565037 (E_RNA) where: Base-Base interactions energy: -908.549 where: short stacking energy: -482.566 Base-Backbone interact. energy: 4.734 local terms energy: -558.750159 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -114.050 flat angles C4'-P-C4' energy: -124.907 flat angles P-C4'-P energy: -77.011 tors. eta vs tors. theta energy: -131.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1401.705788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.705788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.705788 (E_RNA) where: Base-Base interactions energy: -852.611 where: short stacking energy: -466.881 Base-Backbone interact. energy: -2.306 local terms energy: -546.787824 where: bonds (distance) C4'-P energy: -105.065 bonds (distance) P-C4' energy: -112.054 flat angles C4'-P-C4' energy: -114.736 flat angles P-C4'-P energy: -86.532 tors. eta vs tors. theta energy: -128.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1178.274317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.274317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.274317 (E_RNA) where: Base-Base interactions energy: -683.517 where: short stacking energy: -431.181 Base-Backbone interact. energy: -2.253 local terms energy: -492.504499 where: bonds (distance) C4'-P energy: -99.267 bonds (distance) P-C4' energy: -108.994 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -75.000 tors. eta vs tors. theta energy: -103.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1178.305315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.305315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.305315 (E_RNA) where: Base-Base interactions energy: -705.903 where: short stacking energy: -359.011 Base-Backbone interact. energy: 2.350 local terms energy: -474.752343 where: bonds (distance) C4'-P energy: -120.285 bonds (distance) P-C4' energy: -106.338 flat angles C4'-P-C4' energy: -110.215 flat angles P-C4'-P energy: -70.248 tors. eta vs tors. theta energy: -67.666 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: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1091.580412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.580412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.580412 (E_RNA) where: Base-Base interactions energy: -642.504 where: short stacking energy: -331.217 Base-Backbone interact. energy: 3.078 local terms energy: -452.154543 where: bonds (distance) C4'-P energy: -112.929 bonds (distance) P-C4' energy: -111.005 flat angles C4'-P-C4' energy: -103.879 flat angles P-C4'-P energy: -67.193 tors. eta vs tors. theta energy: -57.149 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: 14 Temperature: 1.150000 Total energy: -916.080862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.080862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.080862 (E_RNA) where: Base-Base interactions energy: -495.558 where: short stacking energy: -288.576 Base-Backbone interact. energy: 0.698 local terms energy: -421.220397 where: bonds (distance) C4'-P energy: -99.301 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -95.378 flat angles P-C4'-P energy: -54.425 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: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -756.415255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.415255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.415255 (E_RNA) where: Base-Base interactions energy: -415.617 where: short stacking energy: -216.665 Base-Backbone interact. energy: 0.532 local terms energy: -341.331061 where: bonds (distance) C4'-P energy: -108.658 bonds (distance) P-C4' energy: -86.123 flat angles C4'-P-C4' energy: -91.260 flat angles P-C4'-P energy: -44.821 tors. eta vs tors. theta energy: -10.469 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: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -784.125438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.125438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.125438 (E_RNA) where: Base-Base interactions energy: -406.418 where: short stacking energy: -247.867 Base-Backbone interact. energy: -1.218 local terms energy: -376.490124 where: bonds (distance) C4'-P energy: -102.391 bonds (distance) P-C4' energy: -97.036 flat angles C4'-P-C4' energy: -79.842 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -38.028 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: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -613.453612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.453612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.453612 (E_RNA) where: Base-Base interactions energy: -298.726 where: short stacking energy: -198.940 Base-Backbone interact. energy: 2.765 local terms energy: -317.493043 where: bonds (distance) C4'-P energy: -82.581 bonds (distance) P-C4' energy: -101.727 flat angles C4'-P-C4' energy: -89.459 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: -0.608 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: 14 Temperature: 1.350000 Total energy: -460.007367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.007367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.007367 (E_RNA) where: Base-Base interactions energy: -184.896 where: short stacking energy: -144.950 Base-Backbone interact. energy: 3.218 local terms energy: -278.329203 where: bonds (distance) C4'-P energy: -91.182 bonds (distance) P-C4' energy: -92.587 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -53.088 tors. eta vs tors. theta energy: 29.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1492.105914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.105914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.105914 (E_RNA) where: Base-Base interactions energy: -938.341 where: short stacking energy: -469.291 Base-Backbone interact. energy: -2.982 local terms energy: -550.783187 where: bonds (distance) C4'-P energy: -117.095 bonds (distance) P-C4' energy: -121.489 flat angles C4'-P-C4' energy: -118.203 flat angles P-C4'-P energy: -82.771 tors. eta vs tors. theta energy: -111.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1422.886884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.886884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.886884 (E_RNA) where: Base-Base interactions energy: -850.198 where: short stacking energy: -452.965 Base-Backbone interact. energy: -4.512 local terms energy: -568.176327 where: bonds (distance) C4'-P energy: -129.563 bonds (distance) P-C4' energy: -129.449 flat angles C4'-P-C4' energy: -113.448 flat angles P-C4'-P energy: -79.591 tors. eta vs tors. theta energy: -116.125 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: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1176.587068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.587068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.587068 (E_RNA) where: Base-Base interactions energy: -653.831 where: short stacking energy: -381.806 Base-Backbone interact. energy: 3.188 local terms energy: -525.943642 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -109.125 flat angles C4'-P-C4' energy: -119.130 flat angles P-C4'-P energy: -75.845 tors. eta vs tors. theta energy: -103.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1225.798221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.798221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.798221 (E_RNA) where: Base-Base interactions energy: -741.855 where: short stacking energy: -360.091 Base-Backbone interact. energy: -4.992 local terms energy: -478.951668 where: bonds (distance) C4'-P energy: -111.899 bonds (distance) P-C4' energy: -103.281 flat angles C4'-P-C4' energy: -113.238 flat angles P-C4'-P energy: -72.595 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: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1064.278638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.278638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.278638 (E_RNA) where: Base-Base interactions energy: -637.482 where: short stacking energy: -341.811 Base-Backbone interact. energy: -1.451 local terms energy: -425.344888 where: bonds (distance) C4'-P energy: -96.594 bonds (distance) P-C4' energy: -92.495 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -60.295 tors. eta vs tors. theta energy: -76.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -983.996841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.996841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.996841 (E_RNA) where: Base-Base interactions energy: -541.470 where: short stacking energy: -267.204 Base-Backbone interact. energy: -5.161 local terms energy: -437.366266 where: bonds (distance) C4'-P energy: -94.790 bonds (distance) P-C4' energy: -117.823 flat angles C4'-P-C4' energy: -114.647 flat angles P-C4'-P energy: -75.785 tors. eta vs tors. theta energy: -34.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -816.001019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.001019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.001019 (E_RNA) where: Base-Base interactions energy: -457.320 where: short stacking energy: -254.005 Base-Backbone interact. energy: 1.611 local terms energy: -360.292047 where: bonds (distance) C4'-P energy: -91.390 bonds (distance) P-C4' energy: -101.251 flat angles C4'-P-C4' energy: -92.821 flat angles P-C4'-P energy: -54.742 tors. eta vs tors. theta energy: -20.088 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: 15 Temperature: 1.250000 Total energy: -757.833107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.833107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.833107 (E_RNA) where: Base-Base interactions energy: -399.208 where: short stacking energy: -221.859 Base-Backbone interact. energy: 3.231 local terms energy: -361.855664 where: bonds (distance) C4'-P energy: -81.739 bonds (distance) P-C4' energy: -117.101 flat angles C4'-P-C4' energy: -102.412 flat angles P-C4'-P energy: -40.502 tors. eta vs tors. theta energy: -20.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -636.768871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.768871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.768871 (E_RNA) where: Base-Base interactions energy: -295.626 where: short stacking energy: -181.173 Base-Backbone interact. energy: -2.031 local terms energy: -339.111992 where: bonds (distance) C4'-P energy: -81.227 bonds (distance) P-C4' energy: -102.893 flat angles C4'-P-C4' energy: -90.679 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -14.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -467.218856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.218856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.218856 (E_RNA) where: Base-Base interactions energy: -139.002 where: short stacking energy: -107.141 Base-Backbone interact. energy: -0.813 local terms energy: -327.404264 where: bonds (distance) C4'-P energy: -118.476 bonds (distance) P-C4' energy: -88.088 flat angles C4'-P-C4' energy: -87.208 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: 17.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1547.377602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.377602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.377602 (E_RNA) where: Base-Base interactions energy: -954.871 where: short stacking energy: -464.167 Base-Backbone interact. energy: -3.319 local terms energy: -589.186666 where: bonds (distance) C4'-P energy: -125.766 bonds (distance) P-C4' energy: -124.110 flat angles C4'-P-C4' energy: -126.477 flat angles P-C4'-P energy: -82.127 tors. eta vs tors. theta energy: -130.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1401.669578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.669578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.669578 (E_RNA) where: Base-Base interactions energy: -877.494 where: short stacking energy: -442.013 Base-Backbone interact. energy: -1.051 local terms energy: -523.124462 where: bonds (distance) C4'-P energy: -115.146 bonds (distance) P-C4' energy: -116.688 flat angles C4'-P-C4' energy: -119.637 flat angles P-C4'-P energy: -71.231 tors. eta vs tors. theta energy: -100.424 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: 16 Temperature: 1.000000 Total energy: -1329.300737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.300737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.300737 (E_RNA) where: Base-Base interactions energy: -859.532 where: short stacking energy: -407.769 Base-Backbone interact. energy: -1.742 local terms energy: -468.026770 where: bonds (distance) C4'-P energy: -108.980 bonds (distance) P-C4' energy: -108.430 flat angles C4'-P-C4' energy: -103.569 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -89.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1139.228409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.228409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.228409 (E_RNA) where: Base-Base interactions energy: -649.781 where: short stacking energy: -386.226 Base-Backbone interact. energy: -0.643 local terms energy: -488.804185 where: bonds (distance) C4'-P energy: -106.676 bonds (distance) P-C4' energy: -109.663 flat angles C4'-P-C4' energy: -121.356 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -87.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1107.668180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.668180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.668180 (E_RNA) where: Base-Base interactions energy: -636.662 where: short stacking energy: -360.576 Base-Backbone interact. energy: -1.863 local terms energy: -469.142858 where: bonds (distance) C4'-P energy: -95.695 bonds (distance) P-C4' energy: -112.063 flat angles C4'-P-C4' energy: -112.321 flat angles P-C4'-P energy: -74.342 tors. eta vs tors. theta energy: -74.722 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: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -940.041465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.041465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.041465 (E_RNA) where: Base-Base interactions energy: -518.522 where: short stacking energy: -312.353 Base-Backbone interact. energy: -0.112 local terms energy: -421.407948 where: bonds (distance) C4'-P energy: -97.211 bonds (distance) P-C4' energy: -109.852 flat angles C4'-P-C4' energy: -109.232 flat angles P-C4'-P energy: -54.650 tors. eta vs tors. theta energy: -50.463 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: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -902.938052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.938052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.938052 (E_RNA) where: Base-Base interactions energy: -489.125 where: short stacking energy: -258.919 Base-Backbone interact. energy: -1.837 local terms energy: -411.976192 where: bonds (distance) C4'-P energy: -102.058 bonds (distance) P-C4' energy: -90.069 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -74.529 tors. eta vs tors. theta energy: -43.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -745.666693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.666693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.666693 (E_RNA) where: Base-Base interactions energy: -397.813 where: short stacking energy: -205.722 Base-Backbone interact. energy: -1.105 local terms energy: -346.748274 where: bonds (distance) C4'-P energy: -88.743 bonds (distance) P-C4' energy: -94.635 flat angles C4'-P-C4' energy: -99.431 flat angles P-C4'-P energy: -49.521 tors. eta vs tors. theta energy: -14.419 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: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -661.673056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.673056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.673056 (E_RNA) where: Base-Base interactions energy: -345.068 where: short stacking energy: -200.632 Base-Backbone interact. energy: 1.059 local terms energy: -317.664003 where: bonds (distance) C4'-P energy: -82.754 bonds (distance) P-C4' energy: -110.138 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -56.533 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: 16 Temperature: 1.350000 Total energy: -485.219081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.219081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.219081 (E_RNA) where: Base-Base interactions energy: -162.861 where: short stacking energy: -149.847 Base-Backbone interact. energy: -2.019 local terms energy: -320.339164 where: bonds (distance) C4'-P energy: -95.405 bonds (distance) P-C4' energy: -91.055 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1587.893874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.893874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.893874 (E_RNA) where: Base-Base interactions energy: -1007.704 where: short stacking energy: -496.610 Base-Backbone interact. energy: -1.957 local terms energy: -578.232968 where: bonds (distance) C4'-P energy: -118.671 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -126.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1434.299502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.299502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.299502 (E_RNA) where: Base-Base interactions energy: -913.062 where: short stacking energy: -449.377 Base-Backbone interact. energy: -4.733 local terms energy: -516.504409 where: bonds (distance) C4'-P energy: -105.488 bonds (distance) P-C4' energy: -118.810 flat angles C4'-P-C4' energy: -105.775 flat angles P-C4'-P energy: -75.239 tors. eta vs tors. theta energy: -111.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1383.009008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.009008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.009008 (E_RNA) where: Base-Base interactions energy: -871.035 where: short stacking energy: -392.019 Base-Backbone interact. energy: -3.299 local terms energy: -508.675386 where: bonds (distance) C4'-P energy: -117.604 bonds (distance) P-C4' energy: -111.289 flat angles C4'-P-C4' energy: -117.772 flat angles P-C4'-P energy: -69.982 tors. eta vs tors. theta energy: -92.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1195.430507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.430507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.430507 (E_RNA) where: Base-Base interactions energy: -693.067 where: short stacking energy: -392.719 Base-Backbone interact. energy: 0.213 local terms energy: -502.577074 where: bonds (distance) C4'-P energy: -111.879 bonds (distance) P-C4' energy: -108.210 flat angles C4'-P-C4' energy: -106.370 flat angles P-C4'-P energy: -68.011 tors. eta vs tors. theta energy: -108.107 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: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1183.837093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.837093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.837093 (E_RNA) where: Base-Base interactions energy: -718.763 where: short stacking energy: -344.246 Base-Backbone interact. energy: -2.569 local terms energy: -462.504859 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -110.723 flat angles C4'-P-C4' energy: -107.994 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: -78.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -984.713292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.713292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.713292 (E_RNA) where: Base-Base interactions energy: -573.881 where: short stacking energy: -325.085 Base-Backbone interact. energy: 1.730 local terms energy: -412.562063 where: bonds (distance) C4'-P energy: -89.871 bonds (distance) P-C4' energy: -102.013 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -68.516 tors. eta vs tors. theta energy: -52.959 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: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -943.901466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.901466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.901466 (E_RNA) where: Base-Base interactions energy: -532.172 where: short stacking energy: -255.372 Base-Backbone interact. energy: 1.072 local terms energy: -412.800523 where: bonds (distance) C4'-P energy: -92.107 bonds (distance) P-C4' energy: -93.853 flat angles C4'-P-C4' energy: -108.912 flat angles P-C4'-P energy: -65.200 tors. eta vs tors. theta energy: -52.728 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: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -744.560627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.560627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.560627 (E_RNA) where: Base-Base interactions energy: -403.248 where: short stacking energy: -209.665 Base-Backbone interact. energy: 0.384 local terms energy: -341.696867 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -104.130 flat angles C4'-P-C4' energy: -82.114 flat angles P-C4'-P energy: -52.027 tors. eta vs tors. theta energy: -6.056 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: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -675.906799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.906799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.906799 (E_RNA) where: Base-Base interactions energy: -337.652 where: short stacking energy: -216.444 Base-Backbone interact. energy: 1.197 local terms energy: -339.451858 where: bonds (distance) C4'-P energy: -79.071 bonds (distance) P-C4' energy: -83.121 flat angles C4'-P-C4' energy: -88.878 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -32.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -535.161140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.161140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.161140 (E_RNA) where: Base-Base interactions energy: -229.314 where: short stacking energy: -132.614 Base-Backbone interact. energy: 3.381 local terms energy: -309.228959 where: bonds (distance) C4'-P energy: -75.975 bonds (distance) P-C4' energy: -95.779 flat angles C4'-P-C4' energy: -97.461 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: 7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1593.056457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.056457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.056457 (E_RNA) where: Base-Base interactions energy: -1026.685 where: short stacking energy: -489.121 Base-Backbone interact. energy: -3.136 local terms energy: -563.235640 where: bonds (distance) C4'-P energy: -122.907 bonds (distance) P-C4' energy: -112.080 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -81.628 tors. eta vs tors. theta energy: -133.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1426.653927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.653927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.653927 (E_RNA) where: Base-Base interactions energy: -917.839 where: short stacking energy: -436.195 Base-Backbone interact. energy: -2.164 local terms energy: -506.651382 where: bonds (distance) C4'-P energy: -106.473 bonds (distance) P-C4' energy: -113.179 flat angles C4'-P-C4' energy: -121.497 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -97.102 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: 9 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1399.070736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.070736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.070736 (E_RNA) where: Base-Base interactions energy: -877.536 where: short stacking energy: -417.745 Base-Backbone interact. energy: -1.941 local terms energy: -519.593648 where: bonds (distance) C4'-P energy: -115.495 bonds (distance) P-C4' energy: -110.200 flat angles C4'-P-C4' energy: -129.250 flat angles P-C4'-P energy: -66.935 tors. eta vs tors. theta energy: -97.714 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: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1177.318933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.318933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.318933 (E_RNA) where: Base-Base interactions energy: -681.955 where: short stacking energy: -393.810 Base-Backbone interact. energy: 0.468 local terms energy: -495.831750 where: bonds (distance) C4'-P energy: -101.401 bonds (distance) P-C4' energy: -103.529 flat angles C4'-P-C4' energy: -115.684 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -93.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1175.948449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.948449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.948449 (E_RNA) where: Base-Base interactions energy: -697.442 where: short stacking energy: -385.690 Base-Backbone interact. energy: -3.488 local terms energy: -475.018343 where: bonds (distance) C4'-P energy: -116.108 bonds (distance) P-C4' energy: -98.293 flat angles C4'-P-C4' energy: -95.009 flat angles P-C4'-P energy: -71.803 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: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -931.330771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.330771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.330771 (E_RNA) where: Base-Base interactions energy: -504.249 where: short stacking energy: -285.716 Base-Backbone interact. energy: -1.630 local terms energy: -425.452301 where: bonds (distance) C4'-P energy: -108.976 bonds (distance) P-C4' energy: -113.783 flat angles C4'-P-C4' energy: -89.175 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: -43.565 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: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -965.864758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.864758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.864758 (E_RNA) where: Base-Base interactions energy: -551.599 where: short stacking energy: -269.622 Base-Backbone interact. energy: -0.022 local terms energy: -414.243807 where: bonds (distance) C4'-P energy: -108.727 bonds (distance) P-C4' energy: -100.356 flat angles C4'-P-C4' energy: -96.850 flat angles P-C4'-P energy: -68.478 tors. eta vs tors. theta energy: -39.833 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: 8, replica: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -682.653902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.653902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.653902 (E_RNA) where: Base-Base interactions energy: -320.495 where: short stacking energy: -231.236 Base-Backbone interact. energy: -2.707 local terms energy: -359.451713 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -117.645 flat angles C4'-P-C4' energy: -77.814 flat angles P-C4'-P energy: -56.103 tors. eta vs tors. theta energy: -22.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -589.489844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.489844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.489844 (E_RNA) where: Base-Base interactions energy: -235.232 where: short stacking energy: -160.843 Base-Backbone interact. energy: -0.058 local terms energy: -354.200497 where: bonds (distance) C4'-P energy: -101.921 bonds (distance) P-C4' energy: -106.977 flat angles C4'-P-C4' energy: -94.699 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -7.758 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: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -666.345765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.345765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.345765 (E_RNA) where: Base-Base interactions energy: -345.448 where: short stacking energy: -168.252 Base-Backbone interact. energy: 4.378 local terms energy: -325.275523 where: bonds (distance) C4'-P energy: -96.313 bonds (distance) P-C4' energy: -107.998 flat angles C4'-P-C4' energy: -96.574 flat angles P-C4'-P energy: -24.233 tors. eta vs tors. theta energy: -0.157 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: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1635.418500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.418500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.418500 (E_RNA) where: Base-Base interactions energy: -1037.144 where: short stacking energy: -516.027 Base-Backbone interact. energy: -1.042 local terms energy: -597.232203 where: bonds (distance) C4'-P energy: -116.202 bonds (distance) P-C4' energy: -126.193 flat angles C4'-P-C4' energy: -123.921 flat angles P-C4'-P energy: -81.450 tors. eta vs tors. theta energy: -149.466 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: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1460.686549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.686549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.686549 (E_RNA) where: Base-Base interactions energy: -916.578 where: short stacking energy: -443.050 Base-Backbone interact. energy: -2.612 local terms energy: -541.496833 where: bonds (distance) C4'-P energy: -116.285 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -119.775 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -106.316 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: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1391.954854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.954854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.954854 (E_RNA) where: Base-Base interactions energy: -878.608 where: short stacking energy: -432.087 Base-Backbone interact. energy: -1.695 local terms energy: -511.651896 where: bonds (distance) C4'-P energy: -88.510 bonds (distance) P-C4' energy: -116.645 flat angles C4'-P-C4' energy: -121.712 flat angles P-C4'-P energy: -81.317 tors. eta vs tors. theta energy: -103.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1228.260590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.260590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.260590 (E_RNA) where: Base-Base interactions energy: -744.675 where: short stacking energy: -375.780 Base-Backbone interact. energy: 2.212 local terms energy: -485.798168 where: bonds (distance) C4'-P energy: -110.746 bonds (distance) P-C4' energy: -108.438 flat angles C4'-P-C4' energy: -106.411 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -88.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1077.643142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.643142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.643142 (E_RNA) where: Base-Base interactions energy: -626.296 where: short stacking energy: -323.655 Base-Backbone interact. energy: -0.271 local terms energy: -451.075885 where: bonds (distance) C4'-P energy: -110.455 bonds (distance) P-C4' energy: -102.374 flat angles C4'-P-C4' energy: -106.056 flat angles P-C4'-P energy: -54.571 tors. eta vs tors. theta energy: -77.621 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: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -997.994138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.994138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.994138 (E_RNA) where: Base-Base interactions energy: -565.158 where: short stacking energy: -298.418 Base-Backbone interact. energy: -2.674 local terms energy: -430.161930 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -110.121 flat angles C4'-P-C4' energy: -119.994 flat angles P-C4'-P energy: -55.592 tors. eta vs tors. theta energy: -55.980 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: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -948.541570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.541570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.541570 (E_RNA) where: Base-Base interactions energy: -528.547 where: short stacking energy: -261.785 Base-Backbone interact. energy: -3.117 local terms energy: -416.877314 where: bonds (distance) C4'-P energy: -108.167 bonds (distance) P-C4' energy: -111.914 flat angles C4'-P-C4' energy: -103.212 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -48.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -730.744593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.744593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.744593 (E_RNA) where: Base-Base interactions energy: -378.709 where: short stacking energy: -237.673 Base-Backbone interact. energy: -0.031 local terms energy: -352.004276 where: bonds (distance) C4'-P energy: -84.328 bonds (distance) P-C4' energy: -112.117 flat angles C4'-P-C4' energy: -90.009 flat angles P-C4'-P energy: -43.775 tors. eta vs tors. theta energy: -21.774 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: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -484.921344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.921344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.921344 (E_RNA) where: Base-Base interactions energy: -183.969 where: short stacking energy: -177.210 Base-Backbone interact. energy: 0.432 local terms energy: -301.384112 where: bonds (distance) C4'-P energy: -66.082 bonds (distance) P-C4' energy: -99.987 flat angles C4'-P-C4' energy: -104.988 flat angles P-C4'-P energy: -36.433 tors. eta vs tors. theta energy: 6.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -598.494644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.494644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.494644 (E_RNA) where: Base-Base interactions energy: -279.648 where: short stacking energy: -145.694 Base-Backbone interact. energy: -0.810 local terms energy: -318.036495 where: bonds (distance) C4'-P energy: -87.977 bonds (distance) P-C4' energy: -95.723 flat angles C4'-P-C4' energy: -90.338 flat angles P-C4'-P energy: -43.495 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1615.113920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.113920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.113920 (E_RNA) where: Base-Base interactions energy: -1034.555 where: short stacking energy: -479.957 Base-Backbone interact. energy: -3.694 local terms energy: -576.864223 where: bonds (distance) C4'-P energy: -116.322 bonds (distance) P-C4' energy: -121.376 flat angles C4'-P-C4' energy: -114.834 flat angles P-C4'-P energy: -80.668 tors. eta vs tors. theta energy: -143.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1479.776754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.776754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.776754 (E_RNA) where: Base-Base interactions energy: -914.805 where: short stacking energy: -455.151 Base-Backbone interact. energy: -2.450 local terms energy: -562.521797 where: bonds (distance) C4'-P energy: -103.526 bonds (distance) P-C4' energy: -122.704 flat angles C4'-P-C4' energy: -123.958 flat angles P-C4'-P energy: -94.652 tors. eta vs tors. theta energy: -117.682 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: 7 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1325.768373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.768373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.768373 (E_RNA) where: Base-Base interactions energy: -800.062 where: short stacking energy: -415.180 Base-Backbone interact. energy: -1.937 local terms energy: -523.768879 where: bonds (distance) C4'-P energy: -111.652 bonds (distance) P-C4' energy: -110.996 flat angles C4'-P-C4' energy: -111.203 flat angles P-C4'-P energy: -79.388 tors. eta vs tors. theta energy: -110.530 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1296.790957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.790957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.790957 (E_RNA) where: Base-Base interactions energy: -791.356 where: short stacking energy: -434.015 Base-Backbone interact. energy: -0.576 local terms energy: -504.859216 where: bonds (distance) C4'-P energy: -103.137 bonds (distance) P-C4' energy: -117.447 flat angles C4'-P-C4' energy: -102.054 flat angles P-C4'-P energy: -71.175 tors. eta vs tors. theta energy: -111.046 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: 20 Temperature: 1.100000 Total energy: -1075.851449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.851449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.851449 (E_RNA) where: Base-Base interactions energy: -610.864 where: short stacking energy: -348.258 Base-Backbone interact. energy: -1.022 local terms energy: -463.964728 where: bonds (distance) C4'-P energy: -111.337 bonds (distance) P-C4' energy: -113.751 flat angles C4'-P-C4' energy: -108.781 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -77.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -911.280319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.280319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.280319 (E_RNA) where: Base-Base interactions energy: -511.026 where: short stacking energy: -283.031 Base-Backbone interact. energy: 2.450 local terms energy: -402.705307 where: bonds (distance) C4'-P energy: -92.575 bonds (distance) P-C4' energy: -92.297 flat angles C4'-P-C4' energy: -96.251 flat angles P-C4'-P energy: -71.002 tors. eta vs tors. theta energy: -50.580 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: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -959.251082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.251082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.251082 (E_RNA) where: Base-Base interactions energy: -571.865 where: short stacking energy: -278.998 Base-Backbone interact. energy: -0.112 local terms energy: -387.274405 where: bonds (distance) C4'-P energy: -85.390 bonds (distance) P-C4' energy: -90.398 flat angles C4'-P-C4' energy: -115.500 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: -41.948 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: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -683.244568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.244568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.244568 (E_RNA) where: Base-Base interactions energy: -315.115 where: short stacking energy: -196.948 Base-Backbone interact. energy: 3.386 local terms energy: -371.515683 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -114.332 flat angles C4'-P-C4' energy: -87.644 flat angles P-C4'-P energy: -62.694 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -665.674440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.674440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.674440 (E_RNA) where: Base-Base interactions energy: -337.274 where: short stacking energy: -206.302 Base-Backbone interact. energy: 3.967 local terms energy: -332.366913 where: bonds (distance) C4'-P energy: -82.935 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -96.869 flat angles P-C4'-P energy: -38.925 tors. eta vs tors. theta energy: -8.385 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: 20 Temperature: 1.350000 Total energy: -567.878538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.878538 (E_RNA) where: Base-Base interactions energy: -261.679 where: short stacking energy: -146.963 Base-Backbone interact. energy: 2.063 local terms energy: -308.261684 where: bonds (distance) C4'-P energy: -96.126 bonds (distance) P-C4' energy: -101.487 flat angles C4'-P-C4' energy: -78.391 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: 14.548 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: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1608.218042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.218042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.218042 (E_RNA) where: Base-Base interactions energy: -1027.398 where: short stacking energy: -473.402 Base-Backbone interact. energy: -0.838 local terms energy: -579.981876 where: bonds (distance) C4'-P energy: -132.660 bonds (distance) P-C4' energy: -121.994 flat angles C4'-P-C4' energy: -114.454 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -125.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1455.484612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.484612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.484612 (E_RNA) where: Base-Base interactions energy: -942.470 where: short stacking energy: -420.103 Base-Backbone interact. energy: -2.861 local terms energy: -510.153607 where: bonds (distance) C4'-P energy: -119.234 bonds (distance) P-C4' energy: -122.243 flat angles C4'-P-C4' energy: -109.691 flat angles P-C4'-P energy: -65.310 tors. eta vs tors. theta energy: -93.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1345.603512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.603512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.603512 (E_RNA) where: Base-Base interactions energy: -812.111 where: short stacking energy: -418.347 Base-Backbone interact. energy: -1.223 local terms energy: -532.268683 where: bonds (distance) C4'-P energy: -108.661 bonds (distance) P-C4' energy: -109.122 flat angles C4'-P-C4' energy: -133.610 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -103.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1336.282075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.282075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.282075 (E_RNA) where: Base-Base interactions energy: -827.101 where: short stacking energy: -387.050 Base-Backbone interact. energy: -2.007 local terms energy: -507.173243 where: bonds (distance) C4'-P energy: -95.021 bonds (distance) P-C4' energy: -106.219 flat angles C4'-P-C4' energy: -122.016 flat angles P-C4'-P energy: -87.930 tors. eta vs tors. theta energy: -95.987 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1078.327589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.327589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.327589 (E_RNA) where: Base-Base interactions energy: -623.382 where: short stacking energy: -366.224 Base-Backbone interact. energy: -3.570 local terms energy: -451.375657 where: bonds (distance) C4'-P energy: -97.612 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -96.219 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -84.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1010.905083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.905083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.905083 (E_RNA) where: Base-Base interactions energy: -613.666 where: short stacking energy: -322.464 Base-Backbone interact. energy: -2.533 local terms energy: -394.706653 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -105.041 flat angles C4'-P-C4' energy: -90.759 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -77.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -889.877233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.877233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.877233 (E_RNA) where: Base-Base interactions energy: -529.064 where: short stacking energy: -279.437 Base-Backbone interact. energy: -3.015 local terms energy: -357.797900 where: bonds (distance) C4'-P energy: -97.881 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -80.154 flat angles P-C4'-P energy: -55.651 tors. eta vs tors. theta energy: -42.090 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: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -774.682851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.682851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.682851 (E_RNA) where: Base-Base interactions energy: -387.221 where: short stacking energy: -196.229 Base-Backbone interact. energy: 2.962 local terms energy: -390.424560 where: bonds (distance) C4'-P energy: -113.214 bonds (distance) P-C4' energy: -84.338 flat angles C4'-P-C4' energy: -110.313 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -25.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -696.927999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.927999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.927999 (E_RNA) where: Base-Base interactions energy: -362.621 where: short stacking energy: -182.941 Base-Backbone interact. energy: 7.216 local terms energy: -341.523188 where: bonds (distance) C4'-P energy: -90.585 bonds (distance) P-C4' energy: -103.568 flat angles C4'-P-C4' energy: -103.654 flat angles P-C4'-P energy: -48.121 tors. eta vs tors. theta energy: 4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -507.211997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.211997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.211997 (E_RNA) where: Base-Base interactions energy: -210.922 where: short stacking energy: -138.572 Base-Backbone interact. energy: 1.327 local terms energy: -297.617579 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -94.121 flat angles C4'-P-C4' energy: -81.040 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: 22.722 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: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1606.115695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.115695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.115695 (E_RNA) where: Base-Base interactions energy: -1029.944 where: short stacking energy: -490.411 Base-Backbone interact. energy: -3.525 local terms energy: -572.647121 where: bonds (distance) C4'-P energy: -120.210 bonds (distance) P-C4' energy: -101.707 flat angles C4'-P-C4' energy: -122.108 flat angles P-C4'-P energy: -94.366 tors. eta vs tors. theta energy: -134.255 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: 22 Temperature: 0.950000 Total energy: -1454.026261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.026261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.026261 (E_RNA) where: Base-Base interactions energy: -911.633 where: short stacking energy: -423.872 Base-Backbone interact. energy: -2.280 local terms energy: -540.112294 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -119.556 flat angles C4'-P-C4' energy: -119.770 flat angles P-C4'-P energy: -92.547 tors. eta vs tors. theta energy: -92.305 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: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1434.005139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.005139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.005139 (E_RNA) where: Base-Base interactions energy: -907.052 where: short stacking energy: -442.052 Base-Backbone interact. energy: -1.841 local terms energy: -525.113020 where: bonds (distance) C4'-P energy: -117.315 bonds (distance) P-C4' energy: -106.764 flat angles C4'-P-C4' energy: -120.989 flat angles P-C4'-P energy: -72.377 tors. eta vs tors. theta energy: -107.668 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: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1365.459148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.459148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.459148 (E_RNA) where: Base-Base interactions energy: -858.335 where: short stacking energy: -408.298 Base-Backbone interact. energy: -0.339 local terms energy: -506.784743 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -111.988 flat angles C4'-P-C4' energy: -123.903 flat angles P-C4'-P energy: -77.449 tors. eta vs tors. theta energy: -90.659 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: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1107.852462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.852462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.852462 (E_RNA) where: Base-Base interactions energy: -615.300 where: short stacking energy: -339.674 Base-Backbone interact. energy: -2.367 local terms energy: -490.185586 where: bonds (distance) C4'-P energy: -112.642 bonds (distance) P-C4' energy: -117.544 flat angles C4'-P-C4' energy: -106.158 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -81.019 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: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1012.474750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.474750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.474750 (E_RNA) where: Base-Base interactions energy: -597.301 where: short stacking energy: -305.584 Base-Backbone interact. energy: -0.782 local terms energy: -414.391612 where: bonds (distance) C4'-P energy: -85.470 bonds (distance) P-C4' energy: -108.316 flat angles C4'-P-C4' energy: -94.734 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -51.255 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: 22 Temperature: 1.200000 Total energy: -835.341297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.341297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.341297 (E_RNA) where: Base-Base interactions energy: -448.443 where: short stacking energy: -229.185 Base-Backbone interact. energy: 0.608 local terms energy: -387.506046 where: bonds (distance) C4'-P energy: -116.444 bonds (distance) P-C4' energy: -116.480 flat angles C4'-P-C4' energy: -83.125 flat angles P-C4'-P energy: -39.147 tors. eta vs tors. theta energy: -32.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -775.602876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.602876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.602876 (E_RNA) where: Base-Base interactions energy: -385.270 where: short stacking energy: -221.361 Base-Backbone interact. energy: 0.437 local terms energy: -390.769754 where: bonds (distance) C4'-P energy: -93.412 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -49.239 tors. eta vs tors. theta energy: -31.709 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: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -696.210378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.210378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.210378 (E_RNA) where: Base-Base interactions energy: -348.873 where: short stacking energy: -188.862 Base-Backbone interact. energy: -1.822 local terms energy: -345.515639 where: bonds (distance) C4'-P energy: -93.872 bonds (distance) P-C4' energy: -98.470 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -66.479 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: 22 Temperature: 1.350000 Total energy: -470.736444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.736444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.736444 (E_RNA) where: Base-Base interactions energy: -182.820 where: short stacking energy: -126.655 Base-Backbone interact. energy: -3.184 local terms energy: -284.732151 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -89.449 flat angles C4'-P-C4' energy: -81.612 flat angles P-C4'-P energy: -29.260 tors. eta vs tors. theta energy: 13.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1609.949227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.949227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.949227 (E_RNA) where: Base-Base interactions energy: -1022.093 where: short stacking energy: -459.269 Base-Backbone interact. energy: -2.809 local terms energy: -585.047406 where: bonds (distance) C4'-P energy: -120.264 bonds (distance) P-C4' energy: -122.002 flat angles C4'-P-C4' energy: -127.946 flat angles P-C4'-P energy: -82.904 tors. eta vs tors. theta energy: -131.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1449.838083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.838083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.838083 (E_RNA) where: Base-Base interactions energy: -933.768 where: short stacking energy: -429.584 Base-Backbone interact. energy: -2.435 local terms energy: -513.635384 where: bonds (distance) C4'-P energy: -119.653 bonds (distance) P-C4' energy: -112.352 flat angles C4'-P-C4' energy: -114.015 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: -105.055 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: 23 Temperature: 1.000000 Total energy: -1461.887420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.887420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.887420 (E_RNA) where: Base-Base interactions energy: -911.924 where: short stacking energy: -465.803 Base-Backbone interact. energy: -1.292 local terms energy: -548.670886 where: bonds (distance) C4'-P energy: -105.329 bonds (distance) P-C4' energy: -112.312 flat angles C4'-P-C4' energy: -128.591 flat angles P-C4'-P energy: -75.351 tors. eta vs tors. theta energy: -127.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1359.752256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.752256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.752256 (E_RNA) where: Base-Base interactions energy: -860.890 where: short stacking energy: -408.896 Base-Backbone interact. energy: 1.603 local terms energy: -500.465518 where: bonds (distance) C4'-P energy: -101.000 bonds (distance) P-C4' energy: -113.605 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -74.032 tors. eta vs tors. theta energy: -97.724 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: 23 Temperature: 1.100000 Total energy: -1144.452134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.452134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.452134 (E_RNA) where: Base-Base interactions energy: -681.770 where: short stacking energy: -305.341 Base-Backbone interact. energy: -1.872 local terms energy: -460.809638 where: bonds (distance) C4'-P energy: -104.987 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -115.647 flat angles P-C4'-P energy: -69.333 tors. eta vs tors. theta energy: -55.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1023.703799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.703799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.703799 (E_RNA) where: Base-Base interactions energy: -596.259 where: short stacking energy: -261.685 Base-Backbone interact. energy: -7.306 local terms energy: -420.138361 where: bonds (distance) C4'-P energy: -104.256 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -50.499 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: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -898.609971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.609971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.609971 (E_RNA) where: Base-Base interactions energy: -507.298 where: short stacking energy: -247.272 Base-Backbone interact. energy: -0.090 local terms energy: -391.222015 where: bonds (distance) C4'-P energy: -105.040 bonds (distance) P-C4' energy: -101.705 flat angles C4'-P-C4' energy: -102.667 flat angles P-C4'-P energy: -45.884 tors. eta vs tors. theta energy: -35.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -760.497576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.497576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.497576 (E_RNA) where: Base-Base interactions energy: -388.309 where: short stacking energy: -223.909 Base-Backbone interact. energy: -1.516 local terms energy: -370.672806 where: bonds (distance) C4'-P energy: -89.394 bonds (distance) P-C4' energy: -87.696 flat angles C4'-P-C4' energy: -97.169 flat angles P-C4'-P energy: -65.613 tors. eta vs tors. theta energy: -30.801 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: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -742.677845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.677845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.677845 (E_RNA) where: Base-Base interactions energy: -405.873 where: short stacking energy: -227.462 Base-Backbone interact. energy: -0.147 local terms energy: -336.658056 where: bonds (distance) C4'-P energy: -97.770 bonds (distance) P-C4' energy: -92.457 flat angles C4'-P-C4' energy: -81.427 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -444.973393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.973393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.973393 (E_RNA) where: Base-Base interactions energy: -147.151 where: short stacking energy: -108.713 Base-Backbone interact. energy: 3.925 local terms energy: -301.747795 where: bonds (distance) C4'-P energy: -78.151 bonds (distance) P-C4' energy: -95.642 flat angles C4'-P-C4' energy: -87.268 flat angles P-C4'-P energy: -55.617 tors. eta vs tors. theta energy: 14.929 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: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1577.622078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.622078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.622078 (E_RNA) where: Base-Base interactions energy: -1031.799 where: short stacking energy: -471.222 Base-Backbone interact. energy: -4.249 local terms energy: -541.573988 where: bonds (distance) C4'-P energy: -116.558 bonds (distance) P-C4' energy: -119.949 flat angles C4'-P-C4' energy: -118.416 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -116.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1436.603890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.603890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.603890 (E_RNA) where: Base-Base interactions energy: -922.482 where: short stacking energy: -431.600 Base-Backbone interact. energy: 0.028 local terms energy: -514.150001 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -108.698 flat angles C4'-P-C4' energy: -109.788 flat angles P-C4'-P energy: -68.147 tors. eta vs tors. theta energy: -113.177 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: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1483.655148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.655148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.655148 (E_RNA) where: Base-Base interactions energy: -952.721 where: short stacking energy: -472.993 Base-Backbone interact. energy: -0.306 local terms energy: -530.628612 where: bonds (distance) C4'-P energy: -94.662 bonds (distance) P-C4' energy: -120.266 flat angles C4'-P-C4' energy: -119.518 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -119.945 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: 7 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1364.708404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.708404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.708404 (E_RNA) where: Base-Base interactions energy: -860.653 where: short stacking energy: -406.642 Base-Backbone interact. energy: -2.583 local terms energy: -501.471797 where: bonds (distance) C4'-P energy: -106.645 bonds (distance) P-C4' energy: -112.563 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -107.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1177.675571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.675571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.675571 (E_RNA) where: Base-Base interactions energy: -704.263 where: short stacking energy: -340.592 Base-Backbone interact. energy: -2.692 local terms energy: -470.720411 where: bonds (distance) C4'-P energy: -105.681 bonds (distance) P-C4' energy: -110.164 flat angles C4'-P-C4' energy: -105.133 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: -70.339 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: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -977.135486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.135486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.135486 (E_RNA) where: Base-Base interactions energy: -536.871 where: short stacking energy: -280.715 Base-Backbone interact. energy: -0.678 local terms energy: -439.586040 where: bonds (distance) C4'-P energy: -104.254 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -115.107 flat angles P-C4'-P energy: -70.801 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: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -820.410567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.410567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.410567 (E_RNA) where: Base-Base interactions energy: -428.709 where: short stacking energy: -251.060 Base-Backbone interact. energy: 2.089 local terms energy: -393.790730 where: bonds (distance) C4'-P energy: -98.982 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -56.595 tors. eta vs tors. theta energy: -34.974 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: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -916.645065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.645065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.645065 (E_RNA) where: Base-Base interactions energy: -527.878 where: short stacking energy: -270.528 Base-Backbone interact. energy: -2.463 local terms energy: -386.303315 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -99.132 flat angles C4'-P-C4' energy: -106.105 flat angles P-C4'-P energy: -55.764 tors. eta vs tors. theta energy: -36.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -689.067267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.067267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.067267 (E_RNA) where: Base-Base interactions energy: -347.842 where: short stacking energy: -209.480 Base-Backbone interact. energy: 0.262 local terms energy: -341.486864 where: bonds (distance) C4'-P energy: -94.202 bonds (distance) P-C4' energy: -105.087 flat angles C4'-P-C4' energy: -77.320 flat angles P-C4'-P energy: -40.280 tors. eta vs tors. theta energy: -24.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -495.413673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.413673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.413673 (E_RNA) where: Base-Base interactions energy: -196.882 where: short stacking energy: -118.808 Base-Backbone interact. energy: 4.258 local terms energy: -302.789932 where: bonds (distance) C4'-P energy: -99.434 bonds (distance) P-C4' energy: -110.379 flat angles C4'-P-C4' energy: -94.986 flat angles P-C4'-P energy: -35.825 tors. eta vs tors. theta energy: 37.834 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: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1624.696741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.696741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.696741 (E_RNA) where: Base-Base interactions energy: -1032.489 where: short stacking energy: -509.587 Base-Backbone interact. energy: -1.315 local terms energy: -590.892864 where: bonds (distance) C4'-P energy: -124.032 bonds (distance) P-C4' energy: -112.430 flat angles C4'-P-C4' energy: -126.131 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -147.854 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: 25 Temperature: 0.950000 Total energy: -1522.811187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.811187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.811187 (E_RNA) where: Base-Base interactions energy: -975.417 where: short stacking energy: -452.987 Base-Backbone interact. energy: -0.701 local terms energy: -546.693149 where: bonds (distance) C4'-P energy: -104.640 bonds (distance) P-C4' energy: -123.245 flat angles C4'-P-C4' energy: -124.198 flat angles P-C4'-P energy: -88.801 tors. eta vs tors. theta energy: -105.809 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1482.012660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.012660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.012660 (E_RNA) where: Base-Base interactions energy: -949.935 where: short stacking energy: -483.096 Base-Backbone interact. energy: 3.937 local terms energy: -536.014891 where: bonds (distance) C4'-P energy: -117.252 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -110.909 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -127.096 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: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1428.932541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.932541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.932541 (E_RNA) where: Base-Base interactions energy: -923.324 where: short stacking energy: -427.592 Base-Backbone interact. energy: 0.896 local terms energy: -506.504390 where: bonds (distance) C4'-P energy: -112.253 bonds (distance) P-C4' energy: -118.833 flat angles C4'-P-C4' energy: -114.424 flat angles P-C4'-P energy: -54.628 tors. eta vs tors. theta energy: -106.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1198.906619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.906619 (E_RNA) where: Base-Base interactions energy: -725.013 where: short stacking energy: -388.908 Base-Backbone interact. energy: -1.939 local terms energy: -471.954982 where: bonds (distance) C4'-P energy: -107.118 bonds (distance) P-C4' energy: -120.112 flat angles C4'-P-C4' energy: -102.497 flat angles P-C4'-P energy: -62.989 tors. eta vs tors. theta energy: -79.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -939.506189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.506189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.506189 (E_RNA) where: Base-Base interactions energy: -537.043 where: short stacking energy: -258.095 Base-Backbone interact. energy: -3.944 local terms energy: -398.519244 where: bonds (distance) C4'-P energy: -99.211 bonds (distance) P-C4' energy: -96.787 flat angles C4'-P-C4' energy: -106.463 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: -31.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -791.345844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.345844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.345844 (E_RNA) where: Base-Base interactions energy: -420.535 where: short stacking energy: -239.302 Base-Backbone interact. energy: -0.180 local terms energy: -370.630121 where: bonds (distance) C4'-P energy: -90.860 bonds (distance) P-C4' energy: -93.189 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -24.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -866.510907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.510907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.510907 (E_RNA) where: Base-Base interactions energy: -493.119 where: short stacking energy: -245.379 Base-Backbone interact. energy: 5.870 local terms energy: -379.261647 where: bonds (distance) C4'-P energy: -91.024 bonds (distance) P-C4' energy: -117.519 flat angles C4'-P-C4' energy: -98.931 flat angles P-C4'-P energy: -48.931 tors. eta vs tors. theta energy: -22.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -701.957702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.957702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.957702 (E_RNA) where: Base-Base interactions energy: -373.139 where: short stacking energy: -190.919 Base-Backbone interact. energy: 2.890 local terms energy: -331.708037 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -87.147 flat angles C4'-P-C4' energy: -95.058 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: 8.067 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: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -498.596691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.596691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.596691 (E_RNA) where: Base-Base interactions energy: -169.427 where: short stacking energy: -123.059 Base-Backbone interact. energy: -2.193 local terms energy: -326.977286 where: bonds (distance) C4'-P energy: -98.888 bonds (distance) P-C4' energy: -104.869 flat angles C4'-P-C4' energy: -91.037 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: 16.751 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: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1566.031732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.031732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.031732 (E_RNA) where: Base-Base interactions energy: -1020.408 where: short stacking energy: -489.693 Base-Backbone interact. energy: -4.740 local terms energy: -540.883310 where: bonds (distance) C4'-P energy: -115.332 bonds (distance) P-C4' energy: -108.784 flat angles C4'-P-C4' energy: -129.155 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -120.170 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: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1543.004824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.004824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.004824 (E_RNA) where: Base-Base interactions energy: -972.911 where: short stacking energy: -483.217 Base-Backbone interact. energy: -2.920 local terms energy: -567.173201 where: bonds (distance) C4'-P energy: -105.672 bonds (distance) P-C4' energy: -121.767 flat angles C4'-P-C4' energy: -119.757 flat angles P-C4'-P energy: -76.956 tors. eta vs tors. theta energy: -143.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1505.236285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.236285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.236285 (E_RNA) where: Base-Base interactions energy: -957.657 where: short stacking energy: -449.029 Base-Backbone interact. energy: 0.572 local terms energy: -548.151271 where: bonds (distance) C4'-P energy: -114.678 bonds (distance) P-C4' energy: -102.025 flat angles C4'-P-C4' energy: -123.755 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -127.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1430.433335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.433335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.433335 (E_RNA) where: Base-Base interactions energy: -944.151 where: short stacking energy: -447.163 Base-Backbone interact. energy: -1.803 local terms energy: -484.479481 where: bonds (distance) C4'-P energy: -107.884 bonds (distance) P-C4' energy: -110.211 flat angles C4'-P-C4' energy: -100.972 flat angles P-C4'-P energy: -66.517 tors. eta vs tors. theta energy: -98.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1240.260024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.260024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.260024 (E_RNA) where: Base-Base interactions energy: -737.174 where: short stacking energy: -405.400 Base-Backbone interact. energy: -2.447 local terms energy: -500.638204 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -95.938 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -76.696 tors. eta vs tors. theta energy: -104.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1002.569267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.569267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.569267 (E_RNA) where: Base-Base interactions energy: -567.756 where: short stacking energy: -307.889 Base-Backbone interact. energy: -1.853 local terms energy: -432.959993 where: bonds (distance) C4'-P energy: -95.404 bonds (distance) P-C4' energy: -118.211 flat angles C4'-P-C4' energy: -92.790 flat angles P-C4'-P energy: -78.499 tors. eta vs tors. theta energy: -48.056 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: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -922.793873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.793873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.793873 (E_RNA) where: Base-Base interactions energy: -506.348 where: short stacking energy: -266.309 Base-Backbone interact. energy: 4.348 local terms energy: -420.793774 where: bonds (distance) C4'-P energy: -110.466 bonds (distance) P-C4' energy: -112.425 flat angles C4'-P-C4' energy: -93.108 flat angles P-C4'-P energy: -62.771 tors. eta vs tors. theta energy: -42.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -707.119292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.119292 (E_RNA) where: Base-Base interactions energy: -342.608 where: short stacking energy: -188.914 Base-Backbone interact. energy: 2.833 local terms energy: -367.344614 where: bonds (distance) C4'-P energy: -94.782 bonds (distance) P-C4' energy: -99.399 flat angles C4'-P-C4' energy: -106.948 flat angles P-C4'-P energy: -51.743 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -738.604999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.604999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.604999 (E_RNA) where: Base-Base interactions energy: -403.710 where: short stacking energy: -210.713 Base-Backbone interact. energy: -1.144 local terms energy: -333.751110 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -88.811 flat angles C4'-P-C4' energy: -89.084 flat angles P-C4'-P energy: -50.421 tors. eta vs tors. theta energy: -13.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -447.044394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.044394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.044394 (E_RNA) where: Base-Base interactions energy: -148.231 where: short stacking energy: -133.257 Base-Backbone interact. energy: -0.497 local terms energy: -298.315474 where: bonds (distance) C4'-P energy: -91.400 bonds (distance) P-C4' energy: -107.459 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -29.931 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1623.770951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.770951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.770951 (E_RNA) where: Base-Base interactions energy: -1079.305 where: short stacking energy: -457.647 Base-Backbone interact. energy: -2.341 local terms energy: -542.125280 where: bonds (distance) C4'-P energy: -104.700 bonds (distance) P-C4' energy: -120.466 flat angles C4'-P-C4' energy: -121.171 flat angles P-C4'-P energy: -78.027 tors. eta vs tors. theta energy: -117.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1546.741264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.741264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.741264 (E_RNA) where: Base-Base interactions energy: -1000.434 where: short stacking energy: -462.290 Base-Backbone interact. energy: -2.783 local terms energy: -543.524007 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -102.517 flat angles C4'-P-C4' energy: -122.382 flat angles P-C4'-P energy: -66.309 tors. eta vs tors. theta energy: -121.828 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1511.685232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.685232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.685232 (E_RNA) where: Base-Base interactions energy: -963.905 where: short stacking energy: -470.463 Base-Backbone interact. energy: -2.095 local terms energy: -545.684565 where: bonds (distance) C4'-P energy: -111.851 bonds (distance) P-C4' energy: -117.284 flat angles C4'-P-C4' energy: -130.442 flat angles P-C4'-P energy: -71.027 tors. eta vs tors. theta energy: -115.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1438.280942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.280942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.280942 (E_RNA) where: Base-Base interactions energy: -933.649 where: short stacking energy: -431.249 Base-Backbone interact. energy: -2.109 local terms energy: -502.523013 where: bonds (distance) C4'-P energy: -104.947 bonds (distance) P-C4' energy: -112.313 flat angles C4'-P-C4' energy: -108.616 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -99.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1232.407164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.407164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.407164 (E_RNA) where: Base-Base interactions energy: -781.812 where: short stacking energy: -386.247 Base-Backbone interact. energy: -1.845 local terms energy: -448.750033 where: bonds (distance) C4'-P energy: -102.521 bonds (distance) P-C4' energy: -105.027 flat angles C4'-P-C4' energy: -96.866 flat angles P-C4'-P energy: -57.111 tors. eta vs tors. theta energy: -87.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1020.776821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.776821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.776821 (E_RNA) where: Base-Base interactions energy: -585.999 where: short stacking energy: -297.535 Base-Backbone interact. energy: -3.156 local terms energy: -431.622433 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -104.518 flat angles C4'-P-C4' energy: -109.107 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -62.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -970.877150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.877150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.877150 (E_RNA) where: Base-Base interactions energy: -574.713 where: short stacking energy: -311.839 Base-Backbone interact. energy: -3.224 local terms energy: -392.939301 where: bonds (distance) C4'-P energy: -97.904 bonds (distance) P-C4' energy: -105.410 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -52.541 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: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -745.667982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.667982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.667982 (E_RNA) where: Base-Base interactions energy: -384.069 where: short stacking energy: -223.168 Base-Backbone interact. energy: -1.482 local terms energy: -360.116450 where: bonds (distance) C4'-P energy: -105.779 bonds (distance) P-C4' energy: -89.596 flat angles C4'-P-C4' energy: -103.568 flat angles P-C4'-P energy: -50.236 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: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -635.050528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.050528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.050528 (E_RNA) where: Base-Base interactions energy: -288.926 where: short stacking energy: -184.733 Base-Backbone interact. energy: -0.950 local terms energy: -345.173979 where: bonds (distance) C4'-P energy: -98.205 bonds (distance) P-C4' energy: -101.535 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -442.719268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.719268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.719268 (E_RNA) where: Base-Base interactions energy: -124.688 where: short stacking energy: -107.753 Base-Backbone interact. energy: 0.188 local terms energy: -318.218822 where: bonds (distance) C4'-P energy: -107.694 bonds (distance) P-C4' energy: -109.983 flat angles C4'-P-C4' energy: -74.787 flat angles P-C4'-P energy: -34.580 tors. eta vs tors. theta energy: 8.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1639.102600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.102600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.102600 (E_RNA) where: Base-Base interactions energy: -1073.087 where: short stacking energy: -508.642 Base-Backbone interact. energy: -2.222 local terms energy: -563.793514 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -114.861 flat angles C4'-P-C4' energy: -136.224 flat angles P-C4'-P energy: -87.942 tors. eta vs tors. theta energy: -123.445 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: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1535.738036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.738036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.738036 (E_RNA) where: Base-Base interactions energy: -1003.883 where: short stacking energy: -465.523 Base-Backbone interact. energy: -1.772 local terms energy: -530.082833 where: bonds (distance) C4'-P energy: -104.393 bonds (distance) P-C4' energy: -108.408 flat angles C4'-P-C4' energy: -119.390 flat angles P-C4'-P energy: -76.062 tors. eta vs tors. theta energy: -121.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1529.022042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.022042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.022042 (E_RNA) where: Base-Base interactions energy: -986.639 where: short stacking energy: -480.272 Base-Backbone interact. energy: -2.685 local terms energy: -539.697315 where: bonds (distance) C4'-P energy: -105.185 bonds (distance) P-C4' energy: -107.231 flat angles C4'-P-C4' energy: -121.548 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: -119.602 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: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1392.506498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.506498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.506498 (E_RNA) where: Base-Base interactions energy: -889.031 where: short stacking energy: -429.487 Base-Backbone interact. energy: -2.196 local terms energy: -501.279932 where: bonds (distance) C4'-P energy: -94.132 bonds (distance) P-C4' energy: -107.637 flat angles C4'-P-C4' energy: -111.696 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -110.614 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: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1208.061566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.061566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.061566 (E_RNA) where: Base-Base interactions energy: -737.943 where: short stacking energy: -400.557 Base-Backbone interact. energy: -1.049 local terms energy: -469.069589 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -109.618 flat angles C4'-P-C4' energy: -110.811 flat angles P-C4'-P energy: -64.521 tors. eta vs tors. theta energy: -101.465 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: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1154.660181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.660181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.660181 (E_RNA) where: Base-Base interactions energy: -713.587 where: short stacking energy: -343.193 Base-Backbone interact. energy: -1.529 local terms energy: -439.544053 where: bonds (distance) C4'-P energy: -109.867 bonds (distance) P-C4' energy: -96.436 flat angles C4'-P-C4' energy: -114.267 flat angles P-C4'-P energy: -48.989 tors. eta vs tors. theta energy: -69.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -911.360397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.360397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.360397 (E_RNA) where: Base-Base interactions energy: -535.299 where: short stacking energy: -265.918 Base-Backbone interact. energy: 4.454 local terms energy: -380.515403 where: bonds (distance) C4'-P energy: -89.056 bonds (distance) P-C4' energy: -98.873 flat angles C4'-P-C4' energy: -94.207 flat angles P-C4'-P energy: -61.832 tors. eta vs tors. theta energy: -36.547 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: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -858.048614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.048614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.048614 (E_RNA) where: Base-Base interactions energy: -470.058 where: short stacking energy: -255.686 Base-Backbone interact. energy: -2.287 local terms energy: -385.703553 where: bonds (distance) C4'-P energy: -93.862 bonds (distance) P-C4' energy: -95.418 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: -32.741 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: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -644.190903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.190903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.190903 (E_RNA) where: Base-Base interactions energy: -329.583 where: short stacking energy: -171.829 Base-Backbone interact. energy: 2.521 local terms energy: -317.129543 where: bonds (distance) C4'-P energy: -94.146 bonds (distance) P-C4' energy: -90.226 flat angles C4'-P-C4' energy: -79.061 flat angles P-C4'-P energy: -57.304 tors. eta vs tors. theta energy: 3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -439.801760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.801760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.801760 (E_RNA) where: Base-Base interactions energy: -148.595 where: short stacking energy: -121.760 Base-Backbone interact. energy: -1.316 local terms energy: -289.890629 where: bonds (distance) C4'-P energy: -94.504 bonds (distance) P-C4' energy: -91.583 flat angles C4'-P-C4' energy: -77.189 flat angles P-C4'-P energy: -60.038 tors. eta vs tors. theta energy: 33.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1666.580768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.580768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.580768 (E_RNA) where: Base-Base interactions energy: -1094.284 where: short stacking energy: -504.640 Base-Backbone interact. energy: -4.029 local terms energy: -568.268159 where: bonds (distance) C4'-P energy: -115.541 bonds (distance) P-C4' energy: -115.798 flat angles C4'-P-C4' energy: -118.749 flat angles P-C4'-P energy: -79.123 tors. eta vs tors. theta energy: -139.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1590.399662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.399662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.399662 (E_RNA) where: Base-Base interactions energy: -1045.058 where: short stacking energy: -503.639 Base-Backbone interact. energy: -2.180 local terms energy: -543.161200 where: bonds (distance) C4'-P energy: -94.295 bonds (distance) P-C4' energy: -118.889 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -83.016 tors. eta vs tors. theta energy: -134.798 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: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1544.839067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.839067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.839067 (E_RNA) where: Base-Base interactions energy: -979.536 where: short stacking energy: -454.114 Base-Backbone interact. energy: -2.697 local terms energy: -562.605990 where: bonds (distance) C4'-P energy: -122.990 bonds (distance) P-C4' energy: -112.599 flat angles C4'-P-C4' energy: -115.897 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -131.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1426.042557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.042557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.042557 (E_RNA) where: Base-Base interactions energy: -914.190 where: short stacking energy: -451.145 Base-Backbone interact. energy: -0.566 local terms energy: -511.287140 where: bonds (distance) C4'-P energy: -103.636 bonds (distance) P-C4' energy: -99.975 flat angles C4'-P-C4' energy: -121.935 flat angles P-C4'-P energy: -72.091 tors. eta vs tors. theta energy: -113.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1229.902224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.902224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.902224 (E_RNA) where: Base-Base interactions energy: -747.477 where: short stacking energy: -394.932 Base-Backbone interact. energy: -1.941 local terms energy: -480.483539 where: bonds (distance) C4'-P energy: -96.801 bonds (distance) P-C4' energy: -122.083 flat angles C4'-P-C4' energy: -111.906 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -92.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1092.082952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.082952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.082952 (E_RNA) where: Base-Base interactions energy: -672.999 where: short stacking energy: -285.340 Base-Backbone interact. energy: 1.783 local terms energy: -420.867277 where: bonds (distance) C4'-P energy: -90.207 bonds (distance) P-C4' energy: -108.262 flat angles C4'-P-C4' energy: -104.373 flat angles P-C4'-P energy: -61.695 tors. eta vs tors. theta energy: -56.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -926.934286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.934286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.934286 (E_RNA) where: Base-Base interactions energy: -517.578 where: short stacking energy: -246.216 Base-Backbone interact. energy: -1.149 local terms energy: -408.207407 where: bonds (distance) C4'-P energy: -110.000 bonds (distance) P-C4' energy: -110.476 flat angles C4'-P-C4' energy: -98.726 flat angles P-C4'-P energy: -56.306 tors. eta vs tors. theta energy: -32.700 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: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -903.646506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.646506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.646506 (E_RNA) where: Base-Base interactions energy: -505.707 where: short stacking energy: -261.058 Base-Backbone interact. energy: -1.157 local terms energy: -396.782622 where: bonds (distance) C4'-P energy: -86.016 bonds (distance) P-C4' energy: -97.600 flat angles C4'-P-C4' energy: -119.379 flat angles P-C4'-P energy: -42.478 tors. eta vs tors. theta energy: -51.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -686.011448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.011448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.011448 (E_RNA) where: Base-Base interactions energy: -359.361 where: short stacking energy: -198.058 Base-Backbone interact. energy: -1.867 local terms energy: -324.784179 where: bonds (distance) C4'-P energy: -85.412 bonds (distance) P-C4' energy: -100.735 flat angles C4'-P-C4' energy: -92.481 flat angles P-C4'-P energy: -44.084 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -451.358106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.358106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.358106 (E_RNA) where: Base-Base interactions energy: -158.962 where: short stacking energy: -135.802 Base-Backbone interact. energy: 1.408 local terms energy: -293.803858 where: bonds (distance) C4'-P energy: -92.920 bonds (distance) P-C4' energy: -102.838 flat angles C4'-P-C4' energy: -70.484 flat angles P-C4'-P energy: -42.557 tors. eta vs tors. theta energy: 14.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1660.830266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.830266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.830266 (E_RNA) where: Base-Base interactions energy: -1097.056 where: short stacking energy: -473.898 Base-Backbone interact. energy: -1.207 local terms energy: -562.567327 where: bonds (distance) C4'-P energy: -111.171 bonds (distance) P-C4' energy: -134.000 flat angles C4'-P-C4' energy: -119.676 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -124.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1637.809614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.809614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.809614 (E_RNA) where: Base-Base interactions energy: -1049.668 where: short stacking energy: -507.769 Base-Backbone interact. energy: -1.841 local terms energy: -586.300648 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -116.022 flat angles C4'-P-C4' energy: -134.743 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -143.590 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: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1532.849157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.849157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.849157 (E_RNA) where: Base-Base interactions energy: -978.347 where: short stacking energy: -476.519 Base-Backbone interact. energy: -1.033 local terms energy: -553.470120 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -123.922 flat angles C4'-P-C4' energy: -115.917 flat angles P-C4'-P energy: -70.500 tors. eta vs tors. theta energy: -119.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1458.206711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.206711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.206711 (E_RNA) where: Base-Base interactions energy: -949.087 where: short stacking energy: -427.213 Base-Backbone interact. energy: -4.808 local terms energy: -504.311456 where: bonds (distance) C4'-P energy: -97.532 bonds (distance) P-C4' energy: -110.301 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -66.356 tors. eta vs tors. theta energy: -111.980 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: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1242.992117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.992117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.992117 (E_RNA) where: Base-Base interactions energy: -756.823 where: short stacking energy: -402.526 Base-Backbone interact. energy: 0.074 local terms energy: -486.242936 where: bonds (distance) C4'-P energy: -106.875 bonds (distance) P-C4' energy: -100.097 flat angles C4'-P-C4' energy: -119.634 flat angles P-C4'-P energy: -67.567 tors. eta vs tors. theta energy: -92.069 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: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1178.133062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.133062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.133062 (E_RNA) where: Base-Base interactions energy: -735.274 where: short stacking energy: -358.586 Base-Backbone interact. energy: 0.127 local terms energy: -442.986197 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -106.605 flat angles C4'-P-C4' energy: -102.753 flat angles P-C4'-P energy: -58.767 tors. eta vs tors. theta energy: -75.629 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: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -959.954250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.954250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.954250 (E_RNA) where: Base-Base interactions energy: -544.982 where: short stacking energy: -268.828 Base-Backbone interact. energy: 0.059 local terms energy: -415.030953 where: bonds (distance) C4'-P energy: -94.004 bonds (distance) P-C4' energy: -113.521 flat angles C4'-P-C4' energy: -96.521 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -55.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -893.729164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.729164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.729164 (E_RNA) where: Base-Base interactions energy: -536.322 where: short stacking energy: -231.983 Base-Backbone interact. energy: -3.259 local terms energy: -354.148713 where: bonds (distance) C4'-P energy: -89.046 bonds (distance) P-C4' energy: -75.806 flat angles C4'-P-C4' energy: -97.617 flat angles P-C4'-P energy: -68.851 tors. eta vs tors. theta energy: -22.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -722.236458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.236458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.236458 (E_RNA) where: Base-Base interactions energy: -368.157 where: short stacking energy: -210.052 Base-Backbone interact. energy: 0.068 local terms energy: -354.146807 where: bonds (distance) C4'-P energy: -84.903 bonds (distance) P-C4' energy: -86.143 flat angles C4'-P-C4' energy: -91.948 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: -20.738 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: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -456.377657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.377657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.377657 (E_RNA) where: Base-Base interactions energy: -188.000 where: short stacking energy: -142.993 Base-Backbone interact. energy: 1.176 local terms energy: -269.554045 where: bonds (distance) C4'-P energy: -83.066 bonds (distance) P-C4' energy: -84.624 flat angles C4'-P-C4' energy: -84.157 flat angles P-C4'-P energy: -49.657 tors. eta vs tors. theta energy: 31.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1702.253519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.253519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.253519 (E_RNA) where: Base-Base interactions energy: -1118.919 where: short stacking energy: -501.084 Base-Backbone interact. energy: -1.645 local terms energy: -581.689152 where: bonds (distance) C4'-P energy: -122.526 bonds (distance) P-C4' energy: -112.958 flat angles C4'-P-C4' energy: -123.915 flat angles P-C4'-P energy: -88.468 tors. eta vs tors. theta energy: -133.822 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: 31 Temperature: 0.950000 Total energy: -1603.479669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.479669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.479669 (E_RNA) where: Base-Base interactions energy: -1019.676 where: short stacking energy: -497.111 Base-Backbone interact. energy: -1.820 local terms energy: -581.983453 where: bonds (distance) C4'-P energy: -113.247 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -85.214 tors. eta vs tors. theta energy: -131.947 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: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1583.910551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.910551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.910551 (E_RNA) where: Base-Base interactions energy: -1043.954 where: short stacking energy: -502.576 Base-Backbone interact. energy: -1.991 local terms energy: -537.966022 where: bonds (distance) C4'-P energy: -126.656 bonds (distance) P-C4' energy: -104.537 flat angles C4'-P-C4' energy: -100.414 flat angles P-C4'-P energy: -72.055 tors. eta vs tors. theta energy: -134.304 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: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1397.339080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.339080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.339080 (E_RNA) where: Base-Base interactions energy: -891.490 where: short stacking energy: -423.742 Base-Backbone interact. energy: -2.716 local terms energy: -503.132313 where: bonds (distance) C4'-P energy: -110.542 bonds (distance) P-C4' energy: -96.949 flat angles C4'-P-C4' energy: -125.691 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -99.213 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: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1225.309599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.309599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.309599 (E_RNA) where: Base-Base interactions energy: -737.864 where: short stacking energy: -374.048 Base-Backbone interact. energy: -1.485 local terms energy: -485.960607 where: bonds (distance) C4'-P energy: -102.332 bonds (distance) P-C4' energy: -106.247 flat angles C4'-P-C4' energy: -114.277 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -96.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1128.783061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.783061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.783061 (E_RNA) where: Base-Base interactions energy: -707.151 where: short stacking energy: -323.800 Base-Backbone interact. energy: -0.619 local terms energy: -421.012828 where: bonds (distance) C4'-P energy: -104.473 bonds (distance) P-C4' energy: -107.531 flat angles C4'-P-C4' energy: -86.384 flat angles P-C4'-P energy: -62.683 tors. eta vs tors. theta energy: -59.943 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: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -919.787296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.787296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.787296 (E_RNA) where: Base-Base interactions energy: -544.525 where: short stacking energy: -281.069 Base-Backbone interact. energy: 1.611 local terms energy: -376.872736 where: bonds (distance) C4'-P energy: -94.111 bonds (distance) P-C4' energy: -98.477 flat angles C4'-P-C4' energy: -89.485 flat angles P-C4'-P energy: -61.065 tors. eta vs tors. theta energy: -33.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -855.077578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.077578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.077578 (E_RNA) where: Base-Base interactions energy: -469.533 where: short stacking energy: -230.030 Base-Backbone interact. energy: -3.471 local terms energy: -382.073554 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -108.139 flat angles C4'-P-C4' energy: -101.757 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: -32.817 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: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -791.918905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.918905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.918905 (E_RNA) where: Base-Base interactions energy: -442.865 where: short stacking energy: -238.119 Base-Backbone interact. energy: -2.720 local terms energy: -346.334220 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -102.691 flat angles C4'-P-C4' energy: -77.432 flat angles P-C4'-P energy: -50.596 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -507.712028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.712028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.712028 (E_RNA) where: Base-Base interactions energy: -201.176 where: short stacking energy: -105.802 Base-Backbone interact. energy: -3.443 local terms energy: -303.092981 where: bonds (distance) C4'-P energy: -85.954 bonds (distance) P-C4' energy: -107.789 flat angles C4'-P-C4' energy: -86.811 flat angles P-C4'-P energy: -51.919 tors. eta vs tors. theta energy: 29.379 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: 32 Temperature: 0.900000 Total energy: -1706.789262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.789262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.789262 (E_RNA) where: Base-Base interactions energy: -1108.622 where: short stacking energy: -500.532 Base-Backbone interact. energy: -2.506 local terms energy: -595.660980 where: bonds (distance) C4'-P energy: -109.726 bonds (distance) P-C4' energy: -123.757 flat angles C4'-P-C4' energy: -127.682 flat angles P-C4'-P energy: -90.854 tors. eta vs tors. theta energy: -143.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1615.458704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.458704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.458704 (E_RNA) where: Base-Base interactions energy: -1040.859 where: short stacking energy: -502.197 Base-Backbone interact. energy: 0.431 local terms energy: -575.030419 where: bonds (distance) C4'-P energy: -115.703 bonds (distance) P-C4' energy: -111.368 flat angles C4'-P-C4' energy: -128.654 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -134.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1612.519145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.519145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.519145 (E_RNA) where: Base-Base interactions energy: -1054.858 where: short stacking energy: -512.430 Base-Backbone interact. energy: -1.086 local terms energy: -556.574656 where: bonds (distance) C4'-P energy: -105.538 bonds (distance) P-C4' energy: -114.493 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: -136.592 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1404.655050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.655050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.655050 (E_RNA) where: Base-Base interactions energy: -896.598 where: short stacking energy: -425.940 Base-Backbone interact. energy: 4.511 local terms energy: -512.568540 where: bonds (distance) C4'-P energy: -104.508 bonds (distance) P-C4' energy: -116.015 flat angles C4'-P-C4' energy: -114.454 flat angles P-C4'-P energy: -74.809 tors. eta vs tors. theta energy: -102.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1241.381877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.381877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.381877 (E_RNA) where: Base-Base interactions energy: -781.465 where: short stacking energy: -395.720 Base-Backbone interact. energy: -0.525 local terms energy: -459.392216 where: bonds (distance) C4'-P energy: -82.447 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -102.882 flat angles P-C4'-P energy: -67.943 tors. eta vs tors. theta energy: -101.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1141.531932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.531932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.531932 (E_RNA) where: Base-Base interactions energy: -714.467 where: short stacking energy: -337.396 Base-Backbone interact. energy: -0.631 local terms energy: -426.434072 where: bonds (distance) C4'-P energy: -93.161 bonds (distance) P-C4' energy: -97.796 flat angles C4'-P-C4' energy: -103.067 flat angles P-C4'-P energy: -57.670 tors. eta vs tors. theta energy: -74.741 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: 32 Temperature: 1.200000 Total energy: -907.931180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.931180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.931180 (E_RNA) where: Base-Base interactions energy: -508.013 where: short stacking energy: -249.684 Base-Backbone interact. energy: 0.237 local terms energy: -400.154986 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -105.721 flat angles C4'-P-C4' energy: -103.045 flat angles P-C4'-P energy: -57.008 tors. eta vs tors. theta energy: -27.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -803.916328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.916328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.916328 (E_RNA) where: Base-Base interactions energy: -457.844 where: short stacking energy: -236.343 Base-Backbone interact. energy: 1.716 local terms energy: -347.788582 where: bonds (distance) C4'-P energy: -87.158 bonds (distance) P-C4' energy: -94.846 flat angles C4'-P-C4' energy: -96.724 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: -13.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -776.398990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.398990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.398990 (E_RNA) where: Base-Base interactions energy: -412.030 where: short stacking energy: -206.512 Base-Backbone interact. energy: 1.175 local terms energy: -365.544880 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -93.701 flat angles C4'-P-C4' energy: -94.066 flat angles P-C4'-P energy: -52.379 tors. eta vs tors. theta energy: -28.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -532.222342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.222342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.222342 (E_RNA) where: Base-Base interactions energy: -237.532 where: short stacking energy: -147.177 Base-Backbone interact. energy: -3.176 local terms energy: -291.514312 where: bonds (distance) C4'-P energy: -86.205 bonds (distance) P-C4' energy: -97.563 flat angles C4'-P-C4' energy: -78.654 flat angles P-C4'-P energy: -51.070 tors. eta vs tors. theta energy: 21.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1747.254230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.254230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.254230 (E_RNA) where: Base-Base interactions energy: -1186.035 where: short stacking energy: -513.650 Base-Backbone interact. energy: -1.813 local terms energy: -559.405811 where: bonds (distance) C4'-P energy: -107.091 bonds (distance) P-C4' energy: -116.884 flat angles C4'-P-C4' energy: -127.052 flat angles P-C4'-P energy: -84.344 tors. eta vs tors. theta energy: -124.034 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: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1643.183167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.183167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.183167 (E_RNA) where: Base-Base interactions energy: -1070.023 where: short stacking energy: -510.322 Base-Backbone interact. energy: -0.637 local terms energy: -572.522964 where: bonds (distance) C4'-P energy: -117.612 bonds (distance) P-C4' energy: -122.376 flat angles C4'-P-C4' energy: -117.779 flat angles P-C4'-P energy: -65.409 tors. eta vs tors. theta energy: -149.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1632.949272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.949272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.949272 (E_RNA) where: Base-Base interactions energy: -1052.436 where: short stacking energy: -512.812 Base-Backbone interact. energy: -0.595 local terms energy: -579.918390 where: bonds (distance) C4'-P energy: -116.570 bonds (distance) P-C4' energy: -115.844 flat angles C4'-P-C4' energy: -123.757 flat angles P-C4'-P energy: -78.700 tors. eta vs tors. theta energy: -145.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1427.329927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.329927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.329927 (E_RNA) where: Base-Base interactions energy: -899.542 where: short stacking energy: -406.378 Base-Backbone interact. energy: -4.199 local terms energy: -523.588319 where: bonds (distance) C4'-P energy: -109.996 bonds (distance) P-C4' energy: -110.884 flat angles C4'-P-C4' energy: -124.849 flat angles P-C4'-P energy: -74.241 tors. eta vs tors. theta energy: -103.618 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: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1173.463336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.463336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.463336 (E_RNA) where: Base-Base interactions energy: -713.260 where: short stacking energy: -372.215 Base-Backbone interact. energy: 0.253 local terms energy: -460.457045 where: bonds (distance) C4'-P energy: -98.794 bonds (distance) P-C4' energy: -110.690 flat angles C4'-P-C4' energy: -107.038 flat angles P-C4'-P energy: -61.311 tors. eta vs tors. theta energy: -82.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1140.870277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.870277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.870277 (E_RNA) where: Base-Base interactions energy: -692.852 where: short stacking energy: -315.204 Base-Backbone interact. energy: -4.163 local terms energy: -443.854940 where: bonds (distance) C4'-P energy: -98.014 bonds (distance) P-C4' energy: -113.680 flat angles C4'-P-C4' energy: -103.901 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -61.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -926.901537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.901537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.901537 (E_RNA) where: Base-Base interactions energy: -531.404 where: short stacking energy: -281.320 Base-Backbone interact. energy: 2.864 local terms energy: -398.361420 where: bonds (distance) C4'-P energy: -90.714 bonds (distance) P-C4' energy: -103.012 flat angles C4'-P-C4' energy: -103.707 flat angles P-C4'-P energy: -65.030 tors. eta vs tors. theta energy: -35.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -801.024926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.024926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.024926 (E_RNA) where: Base-Base interactions energy: -415.005 where: short stacking energy: -238.397 Base-Backbone interact. energy: -0.024 local terms energy: -385.996217 where: bonds (distance) C4'-P energy: -108.938 bonds (distance) P-C4' energy: -106.274 flat angles C4'-P-C4' energy: -91.977 flat angles P-C4'-P energy: -52.314 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: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -730.912092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.912092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.912092 (E_RNA) where: Base-Base interactions energy: -388.751 where: short stacking energy: -192.919 Base-Backbone interact. energy: 4.369 local terms energy: -346.529931 where: bonds (distance) C4'-P energy: -109.682 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -86.226 flat angles P-C4'-P energy: -48.551 tors. eta vs tors. theta energy: -7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -621.366605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.366605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.366605 (E_RNA) where: Base-Base interactions energy: -299.462 where: short stacking energy: -188.896 Base-Backbone interact. energy: -1.923 local terms energy: -319.981436 where: bonds (distance) C4'-P energy: -101.358 bonds (distance) P-C4' energy: -96.982 flat angles C4'-P-C4' energy: -91.000 flat angles P-C4'-P energy: -34.130 tors. eta vs tors. theta energy: 3.489 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: 34 Temperature: 0.900000 Total energy: -1761.442416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.442416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.442416 (E_RNA) where: Base-Base interactions energy: -1200.146 where: short stacking energy: -502.364 Base-Backbone interact. energy: 0.568 local terms energy: -561.863833 where: bonds (distance) C4'-P energy: -94.510 bonds (distance) P-C4' energy: -126.441 flat angles C4'-P-C4' energy: -120.399 flat angles P-C4'-P energy: -81.807 tors. eta vs tors. theta energy: -138.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1660.651461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.651461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.651461 (E_RNA) where: Base-Base interactions energy: -1080.048 where: short stacking energy: -550.018 Base-Backbone interact. energy: -2.711 local terms energy: -577.891744 where: bonds (distance) C4'-P energy: -114.691 bonds (distance) P-C4' energy: -103.949 flat angles C4'-P-C4' energy: -122.044 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -156.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1595.665494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.665494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.665494 (E_RNA) where: Base-Base interactions energy: -1033.782 where: short stacking energy: -507.779 Base-Backbone interact. energy: -1.388 local terms energy: -560.494687 where: bonds (distance) C4'-P energy: -99.287 bonds (distance) P-C4' energy: -102.745 flat angles C4'-P-C4' energy: -131.403 flat angles P-C4'-P energy: -83.737 tors. eta vs tors. theta energy: -143.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1450.997237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.997237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.997237 (E_RNA) where: Base-Base interactions energy: -934.713 where: short stacking energy: -468.013 Base-Backbone interact. energy: -2.088 local terms energy: -514.196103 where: bonds (distance) C4'-P energy: -98.934 bonds (distance) P-C4' energy: -111.161 flat angles C4'-P-C4' energy: -109.862 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -112.653 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: 10 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1276.732269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.732269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.732269 (E_RNA) where: Base-Base interactions energy: -801.968 where: short stacking energy: -373.243 Base-Backbone interact. energy: -2.911 local terms energy: -471.852889 where: bonds (distance) C4'-P energy: -126.314 bonds (distance) P-C4' energy: -105.164 flat angles C4'-P-C4' energy: -102.417 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -78.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1170.457867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.457867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.457867 (E_RNA) where: Base-Base interactions energy: -729.480 where: short stacking energy: -381.836 Base-Backbone interact. energy: -0.937 local terms energy: -440.041490 where: bonds (distance) C4'-P energy: -90.581 bonds (distance) P-C4' energy: -94.658 flat angles C4'-P-C4' energy: -112.549 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -78.062 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: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -968.306723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.306723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.306723 (E_RNA) where: Base-Base interactions energy: -568.996 where: short stacking energy: -281.331 Base-Backbone interact. energy: -2.308 local terms energy: -397.002540 where: bonds (distance) C4'-P energy: -77.108 bonds (distance) P-C4' energy: -112.152 flat angles C4'-P-C4' energy: -94.296 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: -60.700 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: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -810.020835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.020835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.020835 (E_RNA) where: Base-Base interactions energy: -444.471 where: short stacking energy: -256.496 Base-Backbone interact. energy: 2.170 local terms energy: -367.719699 where: bonds (distance) C4'-P energy: -103.822 bonds (distance) P-C4' energy: -102.061 flat angles C4'-P-C4' energy: -88.599 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: -31.347 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: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -752.624951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.624951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.624951 (E_RNA) where: Base-Base interactions energy: -427.581 where: short stacking energy: -222.194 Base-Backbone interact. energy: -0.357 local terms energy: -324.687077 where: bonds (distance) C4'-P energy: -89.259 bonds (distance) P-C4' energy: -81.011 flat angles C4'-P-C4' energy: -87.402 flat angles P-C4'-P energy: -49.416 tors. eta vs tors. theta energy: -17.599 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: 34 Temperature: 1.350000 Total energy: -553.866003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.866003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.866003 (E_RNA) where: Base-Base interactions energy: -263.281 where: short stacking energy: -164.338 Base-Backbone interact. energy: -1.221 local terms energy: -289.364357 where: bonds (distance) C4'-P energy: -78.670 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -79.362 flat angles P-C4'-P energy: -44.594 tors. eta vs tors. theta energy: 18.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1745.546703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.546703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.546703 (E_RNA) where: Base-Base interactions energy: -1157.683 where: short stacking energy: -540.059 Base-Backbone interact. energy: -2.282 local terms energy: -585.581179 where: bonds (distance) C4'-P energy: -123.737 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -128.157 flat angles P-C4'-P energy: -76.105 tors. eta vs tors. theta energy: -140.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1657.514776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.514776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.514776 (E_RNA) where: Base-Base interactions energy: -1067.696 where: short stacking energy: -515.577 Base-Backbone interact. energy: 0.279 local terms energy: -590.098193 where: bonds (distance) C4'-P energy: -112.973 bonds (distance) P-C4' energy: -123.668 flat angles C4'-P-C4' energy: -110.244 flat angles P-C4'-P energy: -96.992 tors. eta vs tors. theta energy: -146.221 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: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1626.141163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.141163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.141163 (E_RNA) where: Base-Base interactions energy: -1055.106 where: short stacking energy: -494.459 Base-Backbone interact. energy: 0.582 local terms energy: -571.617183 where: bonds (distance) C4'-P energy: -108.468 bonds (distance) P-C4' energy: -118.190 flat angles C4'-P-C4' energy: -124.705 flat angles P-C4'-P energy: -81.230 tors. eta vs tors. theta energy: -139.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1437.310695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.310695 (E_RNA) where: Base-Base interactions energy: -925.081 where: short stacking energy: -412.626 Base-Backbone interact. energy: -2.463 local terms energy: -509.767010 where: bonds (distance) C4'-P energy: -104.863 bonds (distance) P-C4' energy: -100.518 flat angles C4'-P-C4' energy: -128.736 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -107.305 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: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1284.292550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.292550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.292550 (E_RNA) where: Base-Base interactions energy: -811.282 where: short stacking energy: -364.374 Base-Backbone interact. energy: -1.852 local terms energy: -471.158478 where: bonds (distance) C4'-P energy: -107.117 bonds (distance) P-C4' energy: -109.903 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -75.385 tors. eta vs tors. theta energy: -68.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1094.249173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.249173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.249173 (E_RNA) where: Base-Base interactions energy: -623.532 where: short stacking energy: -304.098 Base-Backbone interact. energy: -2.501 local terms energy: -468.216812 where: bonds (distance) C4'-P energy: -100.044 bonds (distance) P-C4' energy: -114.299 flat angles C4'-P-C4' energy: -110.515 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: -70.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1016.123009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.123009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.123009 (E_RNA) where: Base-Base interactions energy: -624.753 where: short stacking energy: -287.389 Base-Backbone interact. energy: -1.263 local terms energy: -390.107694 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -109.783 flat angles C4'-P-C4' energy: -93.300 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -25.710 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: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -828.879810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.879810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.879810 (E_RNA) where: Base-Base interactions energy: -487.979 where: short stacking energy: -254.320 Base-Backbone interact. energy: 0.232 local terms energy: -341.132272 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -104.855 flat angles C4'-P-C4' energy: -80.457 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: -22.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -761.313348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.313348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.313348 (E_RNA) where: Base-Base interactions energy: -401.901 where: short stacking energy: -219.269 Base-Backbone interact. energy: -1.956 local terms energy: -357.457093 where: bonds (distance) C4'-P energy: -93.538 bonds (distance) P-C4' energy: -105.502 flat angles C4'-P-C4' energy: -80.835 flat angles P-C4'-P energy: -41.772 tors. eta vs tors. theta energy: -35.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -587.483274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.483274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.483274 (E_RNA) where: Base-Base interactions energy: -265.207 where: short stacking energy: -171.456 Base-Backbone interact. energy: 4.136 local terms energy: -326.412642 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -119.451 flat angles C4'-P-C4' energy: -75.866 flat angles P-C4'-P energy: -42.310 tors. eta vs tors. theta energy: 1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1734.132651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.132651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.132651 (E_RNA) where: Base-Base interactions energy: -1148.323 where: short stacking energy: -516.627 Base-Backbone interact. energy: -1.977 local terms energy: -583.832585 where: bonds (distance) C4'-P energy: -103.968 bonds (distance) P-C4' energy: -126.287 flat angles C4'-P-C4' energy: -128.384 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -150.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1674.718184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.718184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.718184 (E_RNA) where: Base-Base interactions energy: -1108.778 where: short stacking energy: -525.489 Base-Backbone interact. energy: 0.053 local terms energy: -565.992813 where: bonds (distance) C4'-P energy: -100.649 bonds (distance) P-C4' energy: -120.686 flat angles C4'-P-C4' energy: -113.521 flat angles P-C4'-P energy: -85.826 tors. eta vs tors. theta energy: -145.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1581.607701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.607701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.607701 (E_RNA) where: Base-Base interactions energy: -1048.260 where: short stacking energy: -484.515 Base-Backbone interact. energy: -1.071 local terms energy: -532.276873 where: bonds (distance) C4'-P energy: -109.658 bonds (distance) P-C4' energy: -93.313 flat angles C4'-P-C4' energy: -119.855 flat angles P-C4'-P energy: -83.854 tors. eta vs tors. theta energy: -125.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1442.343617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.343617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.343617 (E_RNA) where: Base-Base interactions energy: -924.932 where: short stacking energy: -439.665 Base-Backbone interact. energy: -1.820 local terms energy: -515.592024 where: bonds (distance) C4'-P energy: -103.796 bonds (distance) P-C4' energy: -110.993 flat angles C4'-P-C4' energy: -105.148 flat angles P-C4'-P energy: -73.888 tors. eta vs tors. theta energy: -121.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1268.029327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.029327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.029327 (E_RNA) where: Base-Base interactions energy: -834.751 where: short stacking energy: -355.509 Base-Backbone interact. energy: 1.009 local terms energy: -434.287243 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -103.288 flat angles C4'-P-C4' energy: -100.926 flat angles P-C4'-P energy: -66.366 tors. eta vs tors. theta energy: -80.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1138.050610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.050610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.050610 (E_RNA) where: Base-Base interactions energy: -709.060 where: short stacking energy: -342.923 Base-Backbone interact. energy: -1.437 local terms energy: -427.553727 where: bonds (distance) C4'-P energy: -85.702 bonds (distance) P-C4' energy: -104.794 flat angles C4'-P-C4' energy: -97.573 flat angles P-C4'-P energy: -61.653 tors. eta vs tors. theta energy: -77.831 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: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1039.216278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.216278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.216278 (E_RNA) where: Base-Base interactions energy: -617.724 where: short stacking energy: -280.664 Base-Backbone interact. energy: 1.291 local terms energy: -422.782903 where: bonds (distance) C4'-P energy: -103.771 bonds (distance) P-C4' energy: -102.507 flat angles C4'-P-C4' energy: -100.397 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: -53.399 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: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -831.302111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.302111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.302111 (E_RNA) where: Base-Base interactions energy: -450.647 where: short stacking energy: -219.151 Base-Backbone interact. energy: -1.665 local terms energy: -378.990332 where: bonds (distance) C4'-P energy: -109.636 bonds (distance) P-C4' energy: -102.579 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -62.342 tors. eta vs tors. theta energy: -14.892 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: 9, replica: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -748.665294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.665294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.665294 (E_RNA) where: Base-Base interactions energy: -390.487 where: short stacking energy: -216.079 Base-Backbone interact. energy: -0.911 local terms energy: -357.267902 where: bonds (distance) C4'-P energy: -77.816 bonds (distance) P-C4' energy: -108.856 flat angles C4'-P-C4' energy: -96.032 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -27.248 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: 36 Temperature: 1.350000 Total energy: -523.156982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.156982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.156982 (E_RNA) where: Base-Base interactions energy: -222.090 where: short stacking energy: -146.463 Base-Backbone interact. energy: 1.811 local terms energy: -302.878452 where: bonds (distance) C4'-P energy: -78.516 bonds (distance) P-C4' energy: -108.136 flat angles C4'-P-C4' energy: -92.632 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: 14.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1777.544350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.544350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.544350 (E_RNA) where: Base-Base interactions energy: -1172.737 where: short stacking energy: -509.339 Base-Backbone interact. energy: -0.271 local terms energy: -604.536522 where: bonds (distance) C4'-P energy: -125.816 bonds (distance) P-C4' energy: -122.066 flat angles C4'-P-C4' energy: -128.521 flat angles P-C4'-P energy: -79.573 tors. eta vs tors. theta energy: -148.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1714.261611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.261611 (E_RNA) where: Base-Base interactions energy: -1143.002 where: short stacking energy: -550.252 Base-Backbone interact. energy: -0.242 local terms energy: -571.018506 where: bonds (distance) C4'-P energy: -98.596 bonds (distance) P-C4' energy: -116.090 flat angles C4'-P-C4' energy: -133.236 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -145.103 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: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1573.030113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.030113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.030113 (E_RNA) where: Base-Base interactions energy: -1044.083 where: short stacking energy: -475.539 Base-Backbone interact. energy: -2.424 local terms energy: -526.523325 where: bonds (distance) C4'-P energy: -111.052 bonds (distance) P-C4' energy: -106.121 flat angles C4'-P-C4' energy: -111.963 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -115.408 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1405.178262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.178262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.178262 (E_RNA) where: Base-Base interactions energy: -894.640 where: short stacking energy: -419.561 Base-Backbone interact. energy: -2.644 local terms energy: -507.894032 where: bonds (distance) C4'-P energy: -97.049 bonds (distance) P-C4' energy: -102.161 flat angles C4'-P-C4' energy: -117.056 flat angles P-C4'-P energy: -78.320 tors. eta vs tors. theta energy: -113.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1299.578419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.578419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.578419 (E_RNA) where: Base-Base interactions energy: -785.394 where: short stacking energy: -357.867 Base-Backbone interact. energy: -3.195 local terms energy: -510.989365 where: bonds (distance) C4'-P energy: -118.431 bonds (distance) P-C4' energy: -112.475 flat angles C4'-P-C4' energy: -117.465 flat angles P-C4'-P energy: -62.364 tors. eta vs tors. theta energy: -100.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1170.616070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.616070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.616070 (E_RNA) where: Base-Base interactions energy: -743.653 where: short stacking energy: -354.890 Base-Backbone interact. energy: 2.414 local terms energy: -429.376690 where: bonds (distance) C4'-P energy: -96.849 bonds (distance) P-C4' energy: -101.827 flat angles C4'-P-C4' energy: -102.077 flat angles P-C4'-P energy: -55.488 tors. eta vs tors. theta energy: -73.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -983.962933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.962933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.962933 (E_RNA) where: Base-Base interactions energy: -568.699 where: short stacking energy: -276.878 Base-Backbone interact. energy: -0.327 local terms energy: -414.936826 where: bonds (distance) C4'-P energy: -105.492 bonds (distance) P-C4' energy: -103.914 flat angles C4'-P-C4' energy: -91.913 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: -45.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -805.040527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.040527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.040527 (E_RNA) where: Base-Base interactions energy: -451.236 where: short stacking energy: -226.521 Base-Backbone interact. energy: -1.750 local terms energy: -352.055408 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -101.520 flat angles C4'-P-C4' energy: -96.187 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -20.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -743.520885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.520885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.520885 (E_RNA) where: Base-Base interactions energy: -411.633 where: short stacking energy: -237.660 Base-Backbone interact. energy: 5.323 local terms energy: -337.211030 where: bonds (distance) C4'-P energy: -88.476 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -83.007 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -21.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -536.947855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.947855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.947855 (E_RNA) where: Base-Base interactions energy: -245.625 where: short stacking energy: -161.192 Base-Backbone interact. energy: -0.705 local terms energy: -290.618195 where: bonds (distance) C4'-P energy: -105.714 bonds (distance) P-C4' energy: -91.079 flat angles C4'-P-C4' energy: -66.809 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: 14.935 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: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1775.898159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.898159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.898159 (E_RNA) where: Base-Base interactions energy: -1210.882 where: short stacking energy: -531.115 Base-Backbone interact. energy: -4.296 local terms energy: -560.719889 where: bonds (distance) C4'-P energy: -108.186 bonds (distance) P-C4' energy: -117.154 flat angles C4'-P-C4' energy: -123.667 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -137.972 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: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1736.476339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.476339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.476339 (E_RNA) where: Base-Base interactions energy: -1137.853 where: short stacking energy: -523.099 Base-Backbone interact. energy: -2.877 local terms energy: -595.746737 where: bonds (distance) C4'-P energy: -111.133 bonds (distance) P-C4' energy: -118.901 flat angles C4'-P-C4' energy: -130.289 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -147.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1580.511752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.511752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.511752 (E_RNA) where: Base-Base interactions energy: -1016.717 where: short stacking energy: -508.245 Base-Backbone interact. energy: -1.943 local terms energy: -561.851588 where: bonds (distance) C4'-P energy: -112.858 bonds (distance) P-C4' energy: -121.430 flat angles C4'-P-C4' energy: -117.845 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -128.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1351.469248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.469248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.469248 (E_RNA) where: Base-Base interactions energy: -854.647 where: short stacking energy: -426.483 Base-Backbone interact. energy: 1.187 local terms energy: -498.008989 where: bonds (distance) C4'-P energy: -102.240 bonds (distance) P-C4' energy: -104.526 flat angles C4'-P-C4' energy: -129.041 flat angles P-C4'-P energy: -57.692 tors. eta vs tors. theta energy: -104.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1338.536335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.536335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.536335 (E_RNA) where: Base-Base interactions energy: -866.408 where: short stacking energy: -428.386 Base-Backbone interact. energy: 4.713 local terms energy: -476.840548 where: bonds (distance) C4'-P energy: -86.337 bonds (distance) P-C4' energy: -114.587 flat angles C4'-P-C4' energy: -105.596 flat angles P-C4'-P energy: -64.350 tors. eta vs tors. theta energy: -105.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1145.633242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.633242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.633242 (E_RNA) where: Base-Base interactions energy: -694.129 where: short stacking energy: -331.548 Base-Backbone interact. energy: -0.097 local terms energy: -451.407004 where: bonds (distance) C4'-P energy: -90.368 bonds (distance) P-C4' energy: -107.140 flat angles C4'-P-C4' energy: -102.284 flat angles P-C4'-P energy: -69.315 tors. eta vs tors. theta energy: -82.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -968.731205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.731205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.731205 (E_RNA) where: Base-Base interactions energy: -569.815 where: short stacking energy: -285.703 Base-Backbone interact. energy: 5.700 local terms energy: -404.615623 where: bonds (distance) C4'-P energy: -100.193 bonds (distance) P-C4' energy: -115.297 flat angles C4'-P-C4' energy: -92.288 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -37.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -816.049087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.049087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.049087 (E_RNA) where: Base-Base interactions energy: -448.447 where: short stacking energy: -220.560 Base-Backbone interact. energy: 0.344 local terms energy: -367.946081 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -92.162 flat angles C4'-P-C4' energy: -96.336 flat angles P-C4'-P energy: -42.297 tors. eta vs tors. theta energy: -28.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -816.163420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.163420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.163420 (E_RNA) where: Base-Base interactions energy: -440.643 where: short stacking energy: -214.261 Base-Backbone interact. energy: 1.615 local terms energy: -377.136071 where: bonds (distance) C4'-P energy: -108.876 bonds (distance) P-C4' energy: -110.113 flat angles C4'-P-C4' energy: -92.209 flat angles P-C4'-P energy: -42.688 tors. eta vs tors. theta energy: -23.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -554.403041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.403041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.403041 (E_RNA) where: Base-Base interactions energy: -270.101 where: short stacking energy: -173.781 Base-Backbone interact. energy: -1.498 local terms energy: -282.803921 where: bonds (distance) C4'-P energy: -67.522 bonds (distance) P-C4' energy: -69.413 flat angles C4'-P-C4' energy: -96.486 flat angles P-C4'-P energy: -43.951 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1775.259671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.259671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.259671 (E_RNA) where: Base-Base interactions energy: -1215.421 where: short stacking energy: -535.752 Base-Backbone interact. energy: -0.645 local terms energy: -559.193573 where: bonds (distance) C4'-P energy: -108.141 bonds (distance) P-C4' energy: -125.523 flat angles C4'-P-C4' energy: -120.982 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -130.159 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: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1698.951735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.951735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.951735 (E_RNA) where: Base-Base interactions energy: -1117.295 where: short stacking energy: -528.033 Base-Backbone interact. energy: 3.647 local terms energy: -585.303586 where: bonds (distance) C4'-P energy: -106.992 bonds (distance) P-C4' energy: -108.357 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -85.900 tors. eta vs tors. theta energy: -152.931 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: 39 Temperature: 1.000000 Total energy: -1573.795659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.795659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.795659 (E_RNA) where: Base-Base interactions energy: -1030.886 where: short stacking energy: -484.598 Base-Backbone interact. energy: 0.778 local terms energy: -543.687715 where: bonds (distance) C4'-P energy: -108.452 bonds (distance) P-C4' energy: -105.057 flat angles C4'-P-C4' energy: -112.322 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -137.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1403.225562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.225562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.225562 (E_RNA) where: Base-Base interactions energy: -876.301 where: short stacking energy: -416.396 Base-Backbone interact. energy: -0.867 local terms energy: -526.057856 where: bonds (distance) C4'-P energy: -99.920 bonds (distance) P-C4' energy: -104.825 flat angles C4'-P-C4' energy: -120.737 flat angles P-C4'-P energy: -77.989 tors. eta vs tors. theta energy: -122.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1318.242722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.242722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.242722 (E_RNA) where: Base-Base interactions energy: -825.561 where: short stacking energy: -389.869 Base-Backbone interact. energy: -3.652 local terms energy: -489.030436 where: bonds (distance) C4'-P energy: -111.659 bonds (distance) P-C4' energy: -115.680 flat angles C4'-P-C4' energy: -106.822 flat angles P-C4'-P energy: -67.476 tors. eta vs tors. theta energy: -87.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1135.292258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.292258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.292258 (E_RNA) where: Base-Base interactions energy: -688.131 where: short stacking energy: -341.076 Base-Backbone interact. energy: -1.741 local terms energy: -445.420069 where: bonds (distance) C4'-P energy: -107.641 bonds (distance) P-C4' energy: -98.071 flat angles C4'-P-C4' energy: -100.269 flat angles P-C4'-P energy: -60.147 tors. eta vs tors. theta energy: -79.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1002.598653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.598653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.598653 (E_RNA) where: Base-Base interactions energy: -593.244 where: short stacking energy: -293.928 Base-Backbone interact. energy: -1.917 local terms energy: -407.438090 where: bonds (distance) C4'-P energy: -92.527 bonds (distance) P-C4' energy: -97.559 flat angles C4'-P-C4' energy: -99.720 flat angles P-C4'-P energy: -61.545 tors. eta vs tors. theta energy: -56.087 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: 39 Temperature: 1.250000 Total energy: -843.638580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.638580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.638580 (E_RNA) where: Base-Base interactions energy: -460.526 where: short stacking energy: -247.556 Base-Backbone interact. energy: 0.805 local terms energy: -383.917885 where: bonds (distance) C4'-P energy: -101.722 bonds (distance) P-C4' energy: -99.341 flat angles C4'-P-C4' energy: -95.043 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -27.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -787.743383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.743383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.743383 (E_RNA) where: Base-Base interactions energy: -458.176 where: short stacking energy: -255.884 Base-Backbone interact. energy: -2.250 local terms energy: -327.317912 where: bonds (distance) C4'-P energy: -80.697 bonds (distance) P-C4' energy: -86.236 flat angles C4'-P-C4' energy: -81.941 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -32.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -588.980395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.980395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.980395 (E_RNA) where: Base-Base interactions energy: -258.580 where: short stacking energy: -180.727 Base-Backbone interact. energy: 3.772 local terms energy: -334.171884 where: bonds (distance) C4'-P energy: -88.550 bonds (distance) P-C4' energy: -104.649 flat angles C4'-P-C4' energy: -77.432 flat angles P-C4'-P energy: -59.943 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: 40 Temperature: 0.900000 Total energy: -1760.364096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.364096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.364096 (E_RNA) where: Base-Base interactions energy: -1198.122 where: short stacking energy: -519.210 Base-Backbone interact. energy: -3.388 local terms energy: -558.853699 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -100.384 flat angles C4'-P-C4' energy: -132.114 flat angles P-C4'-P energy: -89.583 tors. eta vs tors. theta energy: -123.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1743.664533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.664533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.664533 (E_RNA) where: Base-Base interactions energy: -1148.234 where: short stacking energy: -536.231 Base-Backbone interact. energy: -4.000 local terms energy: -591.431115 where: bonds (distance) C4'-P energy: -117.190 bonds (distance) P-C4' energy: -109.492 flat angles C4'-P-C4' energy: -133.362 flat angles P-C4'-P energy: -83.257 tors. eta vs tors. theta energy: -148.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1612.519755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.519755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.519755 (E_RNA) where: Base-Base interactions energy: -1037.952 where: short stacking energy: -491.223 Base-Backbone interact. energy: -0.594 local terms energy: -573.973216 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -119.035 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -84.534 tors. eta vs tors. theta energy: -144.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1402.374665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.374665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.374665 (E_RNA) where: Base-Base interactions energy: -886.130 where: short stacking energy: -406.127 Base-Backbone interact. energy: -1.329 local terms energy: -514.915734 where: bonds (distance) C4'-P energy: -104.881 bonds (distance) P-C4' energy: -105.626 flat angles C4'-P-C4' energy: -128.067 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: -107.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1332.667334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.667334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.667334 (E_RNA) where: Base-Base interactions energy: -879.614 where: short stacking energy: -398.584 Base-Backbone interact. energy: -2.365 local terms energy: -450.687579 where: bonds (distance) C4'-P energy: -86.804 bonds (distance) P-C4' energy: -106.517 flat angles C4'-P-C4' energy: -96.855 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -89.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1224.100171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.100171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.100171 (E_RNA) where: Base-Base interactions energy: -745.725 where: short stacking energy: -344.165 Base-Backbone interact. energy: 2.664 local terms energy: -481.039196 where: bonds (distance) C4'-P energy: -94.895 bonds (distance) P-C4' energy: -103.697 flat angles C4'-P-C4' energy: -119.807 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -93.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -949.897418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.897418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.897418 (E_RNA) where: Base-Base interactions energy: -549.469 where: short stacking energy: -281.294 Base-Backbone interact. energy: 1.551 local terms energy: -401.979394 where: bonds (distance) C4'-P energy: -93.118 bonds (distance) P-C4' energy: -106.308 flat angles C4'-P-C4' energy: -87.630 flat angles P-C4'-P energy: -58.360 tors. eta vs tors. theta energy: -56.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -796.217629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.217629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.217629 (E_RNA) where: Base-Base interactions energy: -438.774 where: short stacking energy: -227.177 Base-Backbone interact. energy: -0.279 local terms energy: -357.164011 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -81.606 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -19.611 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: 4 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -772.207992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.207992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.207992 (E_RNA) where: Base-Base interactions energy: -418.489 where: short stacking energy: -231.057 Base-Backbone interact. energy: 0.419 local terms energy: -354.137646 where: bonds (distance) C4'-P energy: -99.883 bonds (distance) P-C4' energy: -86.609 flat angles C4'-P-C4' energy: -88.327 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -16.833 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: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -512.652947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.652947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.652947 (E_RNA) where: Base-Base interactions energy: -216.556 where: short stacking energy: -164.198 Base-Backbone interact. energy: 5.296 local terms energy: -301.392993 where: bonds (distance) C4'-P energy: -99.612 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: 10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1799.581082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.581082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.581082 (E_RNA) where: Base-Base interactions energy: -1210.433 where: short stacking energy: -517.319 Base-Backbone interact. energy: -3.628 local terms energy: -585.520148 where: bonds (distance) C4'-P energy: -120.130 bonds (distance) P-C4' energy: -103.391 flat angles C4'-P-C4' energy: -131.450 flat angles P-C4'-P energy: -79.567 tors. eta vs tors. theta energy: -150.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1728.487696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.487696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.487696 (E_RNA) where: Base-Base interactions energy: -1141.669 where: short stacking energy: -555.544 Base-Backbone interact. energy: -0.767 local terms energy: -586.051714 where: bonds (distance) C4'-P energy: -107.475 bonds (distance) P-C4' energy: -112.881 flat angles C4'-P-C4' energy: -125.849 flat angles P-C4'-P energy: -81.565 tors. eta vs tors. theta energy: -158.282 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: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1631.048097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.048097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.048097 (E_RNA) where: Base-Base interactions energy: -1049.984 where: short stacking energy: -497.167 Base-Backbone interact. energy: -2.319 local terms energy: -578.744571 where: bonds (distance) C4'-P energy: -104.983 bonds (distance) P-C4' energy: -123.330 flat angles C4'-P-C4' energy: -135.257 flat angles P-C4'-P energy: -82.940 tors. eta vs tors. theta energy: -132.234 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: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1403.197722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.197722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.197722 (E_RNA) where: Base-Base interactions energy: -896.214 where: short stacking energy: -403.828 Base-Backbone interact. energy: -0.726 local terms energy: -506.257072 where: bonds (distance) C4'-P energy: -105.273 bonds (distance) P-C4' energy: -107.022 flat angles C4'-P-C4' energy: -111.019 flat angles P-C4'-P energy: -73.718 tors. eta vs tors. theta energy: -109.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1306.309661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.309661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.309661 (E_RNA) where: Base-Base interactions energy: -851.803 where: short stacking energy: -367.333 Base-Backbone interact. energy: 0.483 local terms energy: -454.989738 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -77.902 flat angles C4'-P-C4' energy: -108.475 flat angles P-C4'-P energy: -81.012 tors. eta vs tors. theta energy: -87.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1157.877286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.877286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.877286 (E_RNA) where: Base-Base interactions energy: -708.308 where: short stacking energy: -361.521 Base-Backbone interact. energy: -0.792 local terms energy: -448.778138 where: bonds (distance) C4'-P energy: -96.707 bonds (distance) P-C4' energy: -110.231 flat angles C4'-P-C4' energy: -99.176 flat angles P-C4'-P energy: -55.873 tors. eta vs tors. theta energy: -86.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -960.299878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.299878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.299878 (E_RNA) where: Base-Base interactions energy: -556.407 where: short stacking energy: -293.921 Base-Backbone interact. energy: 1.007 local terms energy: -404.899736 where: bonds (distance) C4'-P energy: -97.172 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -103.079 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -54.746 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: 41 Temperature: 1.250000 Total energy: -818.074610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.074610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.074610 (E_RNA) where: Base-Base interactions energy: -444.046 where: short stacking energy: -237.769 Base-Backbone interact. energy: -1.124 local terms energy: -372.904590 where: bonds (distance) C4'-P energy: -106.362 bonds (distance) P-C4' energy: -97.625 flat angles C4'-P-C4' energy: -99.564 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -10.964 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: 4 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -789.269431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.269431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.269431 (E_RNA) where: Base-Base interactions energy: -470.092 where: short stacking energy: -219.742 Base-Backbone interact. energy: -1.370 local terms energy: -317.806924 where: bonds (distance) C4'-P energy: -87.073 bonds (distance) P-C4' energy: -104.738 flat angles C4'-P-C4' energy: -76.922 flat angles P-C4'-P energy: -36.357 tors. eta vs tors. theta energy: -12.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -519.013843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.013843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.013843 (E_RNA) where: Base-Base interactions energy: -218.542 where: short stacking energy: -158.016 Base-Backbone interact. energy: -1.342 local terms energy: -299.130148 where: bonds (distance) C4'-P energy: -71.990 bonds (distance) P-C4' energy: -92.204 flat angles C4'-P-C4' energy: -89.423 flat angles P-C4'-P energy: -43.700 tors. eta vs tors. theta energy: -1.814 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: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1764.456208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.456208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.456208 (E_RNA) where: Base-Base interactions energy: -1202.702 where: short stacking energy: -523.658 Base-Backbone interact. energy: -8.331 local terms energy: -553.423091 where: bonds (distance) C4'-P energy: -103.553 bonds (distance) P-C4' energy: -126.675 flat angles C4'-P-C4' energy: -120.540 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: -134.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1750.279379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.279379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.279379 (E_RNA) where: Base-Base interactions energy: -1164.405 where: short stacking energy: -573.673 Base-Backbone interact. energy: -2.650 local terms energy: -583.224091 where: bonds (distance) C4'-P energy: -103.343 bonds (distance) P-C4' energy: -107.481 flat angles C4'-P-C4' energy: -120.045 flat angles P-C4'-P energy: -82.244 tors. eta vs tors. theta energy: -170.111 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: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1623.070636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.070636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.070636 (E_RNA) where: Base-Base interactions energy: -1052.947 where: short stacking energy: -483.042 Base-Backbone interact. energy: -1.651 local terms energy: -568.472663 where: bonds (distance) C4'-P energy: -105.181 bonds (distance) P-C4' energy: -123.439 flat angles C4'-P-C4' energy: -123.248 flat angles P-C4'-P energy: -79.958 tors. eta vs tors. theta energy: -136.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1420.219612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.219612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.219612 (E_RNA) where: Base-Base interactions energy: -928.321 where: short stacking energy: -400.391 Base-Backbone interact. energy: -1.797 local terms energy: -490.101222 where: bonds (distance) C4'-P energy: -114.635 bonds (distance) P-C4' energy: -90.143 flat angles C4'-P-C4' energy: -125.039 flat angles P-C4'-P energy: -63.603 tors. eta vs tors. theta energy: -96.681 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: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1238.417694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.417694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.417694 (E_RNA) where: Base-Base interactions energy: -775.768 where: short stacking energy: -381.859 Base-Backbone interact. energy: -3.015 local terms energy: -459.634570 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -107.342 flat angles C4'-P-C4' energy: -116.050 flat angles P-C4'-P energy: -66.872 tors. eta vs tors. theta energy: -78.473 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: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1202.555875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.555875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.555875 (E_RNA) where: Base-Base interactions energy: -757.098 where: short stacking energy: -353.298 Base-Backbone interact. energy: -0.396 local terms energy: -445.062300 where: bonds (distance) C4'-P energy: -91.268 bonds (distance) P-C4' energy: -96.265 flat angles C4'-P-C4' energy: -101.418 flat angles P-C4'-P energy: -73.645 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -943.138014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.138014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.138014 (E_RNA) where: Base-Base interactions energy: -517.401 where: short stacking energy: -262.011 Base-Backbone interact. energy: -2.139 local terms energy: -423.597611 where: bonds (distance) C4'-P energy: -106.226 bonds (distance) P-C4' energy: -104.476 flat angles C4'-P-C4' energy: -106.336 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -52.764 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: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -878.033871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.033871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.033871 (E_RNA) where: Base-Base interactions energy: -491.556 where: short stacking energy: -247.550 Base-Backbone interact. energy: -2.451 local terms energy: -384.027068 where: bonds (distance) C4'-P energy: -95.770 bonds (distance) P-C4' energy: -106.012 flat angles C4'-P-C4' energy: -81.770 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -42.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -772.371635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.371635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.371635 (E_RNA) where: Base-Base interactions energy: -403.750 where: short stacking energy: -218.885 Base-Backbone interact. energy: -1.426 local terms energy: -367.195647 where: bonds (distance) C4'-P energy: -89.382 bonds (distance) P-C4' energy: -102.668 flat angles C4'-P-C4' energy: -105.712 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -20.336 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: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -536.132199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.132199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.132199 (E_RNA) where: Base-Base interactions energy: -229.735 where: short stacking energy: -154.619 Base-Backbone interact. energy: 4.993 local terms energy: -311.390310 where: bonds (distance) C4'-P energy: -79.475 bonds (distance) P-C4' energy: -96.407 flat angles C4'-P-C4' energy: -88.368 flat angles P-C4'-P energy: -56.850 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: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1803.632460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.632460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.632460 (E_RNA) where: Base-Base interactions energy: -1228.074 where: short stacking energy: -548.200 Base-Backbone interact. energy: -2.109 local terms energy: -573.449697 where: bonds (distance) C4'-P energy: -113.759 bonds (distance) P-C4' energy: -109.518 flat angles C4'-P-C4' energy: -125.004 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -144.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1742.993674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.993674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.993674 (E_RNA) where: Base-Base interactions energy: -1142.778 where: short stacking energy: -545.711 Base-Backbone interact. energy: -1.739 local terms energy: -598.476496 where: bonds (distance) C4'-P energy: -106.849 bonds (distance) P-C4' energy: -118.379 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -75.842 tors. eta vs tors. theta energy: -164.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1635.115824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.115824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.115824 (E_RNA) where: Base-Base interactions energy: -1085.600 where: short stacking energy: -512.258 Base-Backbone interact. energy: -3.346 local terms energy: -546.169837 where: bonds (distance) C4'-P energy: -110.446 bonds (distance) P-C4' energy: -100.647 flat angles C4'-P-C4' energy: -125.920 flat angles P-C4'-P energy: -85.952 tors. eta vs tors. theta energy: -123.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1455.678637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.678637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.678637 (E_RNA) where: Base-Base interactions energy: -971.637 where: short stacking energy: -401.571 Base-Backbone interact. energy: 1.936 local terms energy: -485.976928 where: bonds (distance) C4'-P energy: -96.267 bonds (distance) P-C4' energy: -106.702 flat angles C4'-P-C4' energy: -122.543 flat angles P-C4'-P energy: -57.896 tors. eta vs tors. theta energy: -102.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1274.762757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.762757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.762757 (E_RNA) where: Base-Base interactions energy: -784.511 where: short stacking energy: -373.604 Base-Backbone interact. energy: -3.350 local terms energy: -486.901633 where: bonds (distance) C4'-P energy: -97.320 bonds (distance) P-C4' energy: -118.124 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -69.339 tors. eta vs tors. theta energy: -96.295 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: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1231.795450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.795450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.795450 (E_RNA) where: Base-Base interactions energy: -742.408 where: short stacking energy: -338.356 Base-Backbone interact. energy: -2.263 local terms energy: -487.123948 where: bonds (distance) C4'-P energy: -105.842 bonds (distance) P-C4' energy: -102.473 flat angles C4'-P-C4' energy: -103.911 flat angles P-C4'-P energy: -82.969 tors. eta vs tors. theta energy: -91.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -962.395765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.395765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.395765 (E_RNA) where: Base-Base interactions energy: -551.435 where: short stacking energy: -299.610 Base-Backbone interact. energy: 3.954 local terms energy: -414.914202 where: bonds (distance) C4'-P energy: -84.994 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -103.939 flat angles P-C4'-P energy: -67.375 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: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -876.920883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.920883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.920883 (E_RNA) where: Base-Base interactions energy: -491.081 where: short stacking energy: -271.605 Base-Backbone interact. energy: 0.054 local terms energy: -385.893274 where: bonds (distance) C4'-P energy: -73.462 bonds (distance) P-C4' energy: -109.792 flat angles C4'-P-C4' energy: -87.524 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -49.562 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: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -813.096162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.096162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.096162 (E_RNA) where: Base-Base interactions energy: -468.584 where: short stacking energy: -232.117 Base-Backbone interact. energy: 2.258 local terms energy: -346.770674 where: bonds (distance) C4'-P energy: -92.978 bonds (distance) P-C4' energy: -93.724 flat angles C4'-P-C4' energy: -90.416 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -9.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -548.203357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.203357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.203357 (E_RNA) where: Base-Base interactions energy: -246.995 where: short stacking energy: -156.990 Base-Backbone interact. energy: 2.361 local terms energy: -303.569643 where: bonds (distance) C4'-P energy: -75.963 bonds (distance) P-C4' energy: -109.654 flat angles C4'-P-C4' energy: -70.626 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: 0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1757.169458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.169458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.169458 (E_RNA) where: Base-Base interactions energy: -1188.997 where: short stacking energy: -517.099 Base-Backbone interact. energy: -2.097 local terms energy: -566.074928 where: bonds (distance) C4'-P energy: -107.954 bonds (distance) P-C4' energy: -121.924 flat angles C4'-P-C4' energy: -113.938 flat angles P-C4'-P energy: -82.360 tors. eta vs tors. theta energy: -139.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1713.091603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.091603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.091603 (E_RNA) where: Base-Base interactions energy: -1127.819 where: short stacking energy: -531.195 Base-Backbone interact. energy: -1.737 local terms energy: -583.535721 where: bonds (distance) C4'-P energy: -107.366 bonds (distance) P-C4' energy: -111.687 flat angles C4'-P-C4' energy: -141.719 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: -154.034 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: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1614.768897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.768897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.768897 (E_RNA) where: Base-Base interactions energy: -1042.367 where: short stacking energy: -501.317 Base-Backbone interact. energy: -1.774 local terms energy: -570.628211 where: bonds (distance) C4'-P energy: -125.006 bonds (distance) P-C4' energy: -111.186 flat angles C4'-P-C4' energy: -120.295 flat angles P-C4'-P energy: -77.084 tors. eta vs tors. theta energy: -137.057 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: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1425.511453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.511453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.511453 (E_RNA) where: Base-Base interactions energy: -919.560 where: short stacking energy: -405.107 Base-Backbone interact. energy: -1.409 local terms energy: -504.542098 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -122.431 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -81.199 tors. eta vs tors. theta energy: -88.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1312.004263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.004263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.004263 (E_RNA) where: Base-Base interactions energy: -836.918 where: short stacking energy: -393.485 Base-Backbone interact. energy: -3.095 local terms energy: -471.991034 where: bonds (distance) C4'-P energy: -93.026 bonds (distance) P-C4' energy: -109.604 flat angles C4'-P-C4' energy: -112.661 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -84.337 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: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1237.954287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.954287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.954287 (E_RNA) where: Base-Base interactions energy: -776.303 where: short stacking energy: -359.487 Base-Backbone interact. energy: -2.531 local terms energy: -459.120831 where: bonds (distance) C4'-P energy: -88.626 bonds (distance) P-C4' energy: -110.848 flat angles C4'-P-C4' energy: -109.634 flat angles P-C4'-P energy: -81.479 tors. eta vs tors. theta energy: -68.534 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: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -993.356103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.356103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.356103 (E_RNA) where: Base-Base interactions energy: -573.479 where: short stacking energy: -290.331 Base-Backbone interact. energy: -2.460 local terms energy: -417.417252 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -95.173 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -69.639 tors. eta vs tors. theta energy: -54.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -868.064433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.064433 (E_RNA) where: Base-Base interactions energy: -505.250 where: short stacking energy: -271.977 Base-Backbone interact. energy: 4.582 local terms energy: -367.397156 where: bonds (distance) C4'-P energy: -83.206 bonds (distance) P-C4' energy: -97.573 flat angles C4'-P-C4' energy: -92.031 flat angles P-C4'-P energy: -60.914 tors. eta vs tors. theta energy: -33.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -829.032714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.032714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.032714 (E_RNA) where: Base-Base interactions energy: -476.261 where: short stacking energy: -243.995 Base-Backbone interact. energy: 3.627 local terms energy: -356.398249 where: bonds (distance) C4'-P energy: -97.635 bonds (distance) P-C4' energy: -93.694 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -52.505 tors. eta vs tors. theta energy: -21.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -572.111673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.111673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.111673 (E_RNA) where: Base-Base interactions energy: -244.798 where: short stacking energy: -137.817 Base-Backbone interact. energy: -3.718 local terms energy: -323.595778 where: bonds (distance) C4'-P energy: -111.865 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -85.235 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: 20.337 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: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1799.138336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.138336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.138336 (E_RNA) where: Base-Base interactions energy: -1190.874 where: short stacking energy: -540.301 Base-Backbone interact. energy: -2.027 local terms energy: -606.237682 where: bonds (distance) C4'-P energy: -109.205 bonds (distance) P-C4' energy: -129.674 flat angles C4'-P-C4' energy: -136.032 flat angles P-C4'-P energy: -85.174 tors. eta vs tors. theta energy: -146.152 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: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1743.277519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.277519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.277519 (E_RNA) where: Base-Base interactions energy: -1160.558 where: short stacking energy: -557.406 Base-Backbone interact. energy: -3.430 local terms energy: -579.289952 where: bonds (distance) C4'-P energy: -104.947 bonds (distance) P-C4' energy: -110.480 flat angles C4'-P-C4' energy: -129.477 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -157.027 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: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1603.577935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.577935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.577935 (E_RNA) where: Base-Base interactions energy: -1028.293 where: short stacking energy: -486.546 Base-Backbone interact. energy: -2.900 local terms energy: -572.385431 where: bonds (distance) C4'-P energy: -115.932 bonds (distance) P-C4' energy: -119.008 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -130.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1455.919182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.919182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.919182 (E_RNA) where: Base-Base interactions energy: -934.443 where: short stacking energy: -432.826 Base-Backbone interact. energy: -0.053 local terms energy: -521.423129 where: bonds (distance) C4'-P energy: -102.550 bonds (distance) P-C4' energy: -115.646 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -87.227 tors. eta vs tors. theta energy: -98.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1326.023503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.023503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.023503 (E_RNA) where: Base-Base interactions energy: -871.856 where: short stacking energy: -420.709 Base-Backbone interact. energy: 2.710 local terms energy: -456.877600 where: bonds (distance) C4'-P energy: -78.813 bonds (distance) P-C4' energy: -93.250 flat angles C4'-P-C4' energy: -99.863 flat angles P-C4'-P energy: -82.886 tors. eta vs tors. theta energy: -102.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1199.030639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.030639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.030639 (E_RNA) where: Base-Base interactions energy: -739.848 where: short stacking energy: -339.164 Base-Backbone interact. energy: 0.013 local terms energy: -459.195874 where: bonds (distance) C4'-P energy: -100.585 bonds (distance) P-C4' energy: -111.087 flat angles C4'-P-C4' energy: -105.768 flat angles P-C4'-P energy: -67.082 tors. eta vs tors. theta energy: -74.675 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: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1025.887234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.887234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.887234 (E_RNA) where: Base-Base interactions energy: -609.191 where: short stacking energy: -284.695 Base-Backbone interact. energy: -0.978 local terms energy: -415.717864 where: bonds (distance) C4'-P energy: -101.239 bonds (distance) P-C4' energy: -100.689 flat angles C4'-P-C4' energy: -99.492 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -45.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -915.496868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.496868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.496868 (E_RNA) where: Base-Base interactions energy: -532.824 where: short stacking energy: -253.861 Base-Backbone interact. energy: -4.659 local terms energy: -378.013777 where: bonds (distance) C4'-P energy: -103.020 bonds (distance) P-C4' energy: -103.144 flat angles C4'-P-C4' energy: -83.185 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -42.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -716.284193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.284193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.284193 (E_RNA) where: Base-Base interactions energy: -373.613 where: short stacking energy: -198.857 Base-Backbone interact. energy: -0.488 local terms energy: -342.183501 where: bonds (distance) C4'-P energy: -93.587 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -76.261 flat angles P-C4'-P energy: -59.938 tors. eta vs tors. theta energy: -15.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -542.837093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.837093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.837093 (E_RNA) where: Base-Base interactions energy: -243.617 where: short stacking energy: -151.671 Base-Backbone interact. energy: 1.721 local terms energy: -300.941430 where: bonds (distance) C4'-P energy: -85.957 bonds (distance) P-C4' energy: -94.695 flat angles C4'-P-C4' energy: -65.932 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: 6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1765.630626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.630626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.630626 (E_RNA) where: Base-Base interactions energy: -1187.393 where: short stacking energy: -509.497 Base-Backbone interact. energy: 3.272 local terms energy: -581.509607 where: bonds (distance) C4'-P energy: -109.686 bonds (distance) P-C4' energy: -119.535 flat angles C4'-P-C4' energy: -121.958 flat angles P-C4'-P energy: -94.395 tors. eta vs tors. theta energy: -135.936 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: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1750.671844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.671844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.671844 (E_RNA) where: Base-Base interactions energy: -1174.858 where: short stacking energy: -552.157 Base-Backbone interact. energy: -0.090 local terms energy: -575.723575 where: bonds (distance) C4'-P energy: -106.135 bonds (distance) P-C4' energy: -111.607 flat angles C4'-P-C4' energy: -125.457 flat angles P-C4'-P energy: -83.496 tors. eta vs tors. theta energy: -149.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1632.239316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.239316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.239316 (E_RNA) where: Base-Base interactions energy: -1074.731 where: short stacking energy: -511.217 Base-Backbone interact. energy: -0.904 local terms energy: -556.604173 where: bonds (distance) C4'-P energy: -100.511 bonds (distance) P-C4' energy: -104.334 flat angles C4'-P-C4' energy: -121.297 flat angles P-C4'-P energy: -80.706 tors. eta vs tors. theta energy: -149.755 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: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1459.968353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.968353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.968353 (E_RNA) where: Base-Base interactions energy: -946.722 where: short stacking energy: -424.446 Base-Backbone interact. energy: -3.222 local terms energy: -510.024290 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -112.277 flat angles C4'-P-C4' energy: -114.753 flat angles P-C4'-P energy: -74.757 tors. eta vs tors. theta energy: -107.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1251.148969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.148969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.148969 (E_RNA) where: Base-Base interactions energy: -764.060 where: short stacking energy: -358.799 Base-Backbone interact. energy: 1.261 local terms energy: -488.350621 where: bonds (distance) C4'-P energy: -107.685 bonds (distance) P-C4' energy: -110.044 flat angles C4'-P-C4' energy: -115.935 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -83.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1251.108913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.108913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.108913 (E_RNA) where: Base-Base interactions energy: -791.682 where: short stacking energy: -378.505 Base-Backbone interact. energy: -0.657 local terms energy: -458.769845 where: bonds (distance) C4'-P energy: -94.956 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -115.735 flat angles P-C4'-P energy: -58.585 tors. eta vs tors. theta energy: -94.342 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: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1034.695412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.695412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.695412 (E_RNA) where: Base-Base interactions energy: -599.770 where: short stacking energy: -312.646 Base-Backbone interact. energy: 3.529 local terms energy: -438.454325 where: bonds (distance) C4'-P energy: -100.456 bonds (distance) P-C4' energy: -113.765 flat angles C4'-P-C4' energy: -104.177 flat angles P-C4'-P energy: -52.280 tors. eta vs tors. theta energy: -67.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -909.771083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.771083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.771083 (E_RNA) where: Base-Base interactions energy: -537.197 where: short stacking energy: -270.986 Base-Backbone interact. energy: -0.880 local terms energy: -371.694187 where: bonds (distance) C4'-P energy: -90.625 bonds (distance) P-C4' energy: -83.099 flat angles C4'-P-C4' energy: -94.545 flat angles P-C4'-P energy: -56.682 tors. eta vs tors. theta energy: -46.743 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: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -782.797181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.797181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.797181 (E_RNA) where: Base-Base interactions energy: -438.692 where: short stacking energy: -211.909 Base-Backbone interact. energy: 6.719 local terms energy: -350.824329 where: bonds (distance) C4'-P energy: -105.183 bonds (distance) P-C4' energy: -102.411 flat angles C4'-P-C4' energy: -88.245 flat angles P-C4'-P energy: -34.833 tors. eta vs tors. theta energy: -20.153 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: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -522.650277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.650277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.650277 (E_RNA) where: Base-Base interactions energy: -237.119 where: short stacking energy: -154.272 Base-Backbone interact. energy: 6.335 local terms energy: -291.866442 where: bonds (distance) C4'-P energy: -83.042 bonds (distance) P-C4' energy: -89.931 flat angles C4'-P-C4' energy: -92.575 flat angles P-C4'-P energy: -28.095 tors. eta vs tors. theta energy: 1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1815.900458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.900458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.900458 (E_RNA) where: Base-Base interactions energy: -1239.311 where: short stacking energy: -535.238 Base-Backbone interact. energy: -3.637 local terms energy: -572.952590 where: bonds (distance) C4'-P energy: -120.196 bonds (distance) P-C4' energy: -116.611 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -82.862 tors. eta vs tors. theta energy: -132.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1707.529417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.529417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.529417 (E_RNA) where: Base-Base interactions energy: -1136.488 where: short stacking energy: -536.731 Base-Backbone interact. energy: -2.393 local terms energy: -568.648199 where: bonds (distance) C4'-P energy: -110.953 bonds (distance) P-C4' energy: -116.114 flat angles C4'-P-C4' energy: -113.628 flat angles P-C4'-P energy: -83.353 tors. eta vs tors. theta energy: -144.600 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: 47 Temperature: 1.000000 Total energy: -1630.421067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.421067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.421067 (E_RNA) where: Base-Base interactions energy: -1066.547 where: short stacking energy: -501.199 Base-Backbone interact. energy: 0.499 local terms energy: -564.373341 where: bonds (distance) C4'-P energy: -115.999 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -108.664 flat angles P-C4'-P energy: -77.426 tors. eta vs tors. theta energy: -144.355 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: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1468.112715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.112715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.112715 (E_RNA) where: Base-Base interactions energy: -973.528 where: short stacking energy: -436.631 Base-Backbone interact. energy: -2.666 local terms energy: -491.918818 where: bonds (distance) C4'-P energy: -96.589 bonds (distance) P-C4' energy: -122.550 flat angles C4'-P-C4' energy: -107.297 flat angles P-C4'-P energy: -74.146 tors. eta vs tors. theta energy: -91.336 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: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1253.525051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.525051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.525051 (E_RNA) where: Base-Base interactions energy: -759.763 where: short stacking energy: -368.650 Base-Backbone interact. energy: -1.123 local terms energy: -492.639330 where: bonds (distance) C4'-P energy: -102.329 bonds (distance) P-C4' energy: -111.661 flat angles C4'-P-C4' energy: -122.624 flat angles P-C4'-P energy: -68.597 tors. eta vs tors. theta energy: -87.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1266.145457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.145457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.145457 (E_RNA) where: Base-Base interactions energy: -807.723 where: short stacking energy: -366.801 Base-Backbone interact. energy: 1.584 local terms energy: -460.006074 where: bonds (distance) C4'-P energy: -109.561 bonds (distance) P-C4' energy: -97.185 flat angles C4'-P-C4' energy: -95.093 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -93.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1030.943553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.943553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.943553 (E_RNA) where: Base-Base interactions energy: -624.652 where: short stacking energy: -329.955 Base-Backbone interact. energy: 0.653 local terms energy: -406.944422 where: bonds (distance) C4'-P energy: -99.748 bonds (distance) P-C4' energy: -100.713 flat angles C4'-P-C4' energy: -90.925 flat angles P-C4'-P energy: -53.087 tors. eta vs tors. theta energy: -62.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -920.984219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.984219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.984219 (E_RNA) where: Base-Base interactions energy: -533.885 where: short stacking energy: -248.896 Base-Backbone interact. energy: -2.710 local terms energy: -384.388845 where: bonds (distance) C4'-P energy: -109.156 bonds (distance) P-C4' energy: -85.415 flat angles C4'-P-C4' energy: -99.013 flat angles P-C4'-P energy: -39.202 tors. eta vs tors. theta energy: -51.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -776.170686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.170686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.170686 (E_RNA) where: Base-Base interactions energy: -438.728 where: short stacking energy: -214.387 Base-Backbone interact. energy: -1.531 local terms energy: -335.912509 where: bonds (distance) C4'-P energy: -94.854 bonds (distance) P-C4' energy: -77.914 flat angles C4'-P-C4' energy: -96.678 flat angles P-C4'-P energy: -55.605 tors. eta vs tors. theta energy: -10.862 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: 47 Temperature: 1.350000 Total energy: -538.423150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.423150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.423150 (E_RNA) where: Base-Base interactions energy: -225.022 where: short stacking energy: -165.931 Base-Backbone interact. energy: 2.941 local terms energy: -316.342574 where: bonds (distance) C4'-P energy: -97.239 bonds (distance) P-C4' energy: -85.506 flat angles C4'-P-C4' energy: -79.965 flat angles P-C4'-P energy: -51.022 tors. eta vs tors. theta energy: -2.610 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: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1800.064383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.064383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.064383 (E_RNA) where: Base-Base interactions energy: -1226.743 where: short stacking energy: -513.032 Base-Backbone interact. energy: -2.122 local terms energy: -571.199851 where: bonds (distance) C4'-P energy: -109.749 bonds (distance) P-C4' energy: -118.752 flat angles C4'-P-C4' energy: -128.902 flat angles P-C4'-P energy: -77.749 tors. eta vs tors. theta energy: -136.048 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: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1751.393443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.393443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.393443 (E_RNA) where: Base-Base interactions energy: -1166.035 where: short stacking energy: -526.195 Base-Backbone interact. energy: -0.711 local terms energy: -584.647004 where: bonds (distance) C4'-P energy: -111.276 bonds (distance) P-C4' energy: -127.441 flat angles C4'-P-C4' energy: -123.854 flat angles P-C4'-P energy: -72.206 tors. eta vs tors. theta energy: -149.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1649.875494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.875494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.875494 (E_RNA) where: Base-Base interactions energy: -1076.327 where: short stacking energy: -489.580 Base-Backbone interact. energy: -2.199 local terms energy: -571.348909 where: bonds (distance) C4'-P energy: -109.316 bonds (distance) P-C4' energy: -111.354 flat angles C4'-P-C4' energy: -134.938 flat angles P-C4'-P energy: -67.741 tors. eta vs tors. theta energy: -147.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1461.994113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.994113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.994113 (E_RNA) where: Base-Base interactions energy: -951.098 where: short stacking energy: -419.080 Base-Backbone interact. energy: -1.217 local terms energy: -509.678377 where: bonds (distance) C4'-P energy: -89.419 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -114.578 flat angles P-C4'-P energy: -71.416 tors. eta vs tors. theta energy: -120.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1215.038076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.038076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.038076 (E_RNA) where: Base-Base interactions energy: -756.288 where: short stacking energy: -359.567 Base-Backbone interact. energy: 2.436 local terms energy: -461.186100 where: bonds (distance) C4'-P energy: -109.429 bonds (distance) P-C4' energy: -101.497 flat angles C4'-P-C4' energy: -110.903 flat angles P-C4'-P energy: -63.850 tors. eta vs tors. theta energy: -75.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1277.424362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.424362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.424362 (E_RNA) where: Base-Base interactions energy: -812.263 where: short stacking energy: -369.459 Base-Backbone interact. energy: -2.074 local terms energy: -463.087233 where: bonds (distance) C4'-P energy: -95.595 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -66.294 tors. eta vs tors. theta energy: -83.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1069.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.070057 (E_RNA) where: Base-Base interactions energy: -638.830 where: short stacking energy: -321.237 Base-Backbone interact. energy: -1.888 local terms energy: -428.352043 where: bonds (distance) C4'-P energy: -90.738 bonds (distance) P-C4' energy: -87.052 flat angles C4'-P-C4' energy: -110.463 flat angles P-C4'-P energy: -64.194 tors. eta vs tors. theta energy: -75.904 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: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -858.436464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.436464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.436464 (E_RNA) where: Base-Base interactions energy: -471.539 where: short stacking energy: -220.428 Base-Backbone interact. energy: -2.018 local terms energy: -384.878650 where: bonds (distance) C4'-P energy: -109.766 bonds (distance) P-C4' energy: -103.566 flat angles C4'-P-C4' energy: -84.584 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -30.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -770.274190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.274190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.274190 (E_RNA) where: Base-Base interactions energy: -402.488 where: short stacking energy: -203.421 Base-Backbone interact. energy: -3.668 local terms energy: -364.118354 where: bonds (distance) C4'-P energy: -108.956 bonds (distance) P-C4' energy: -112.554 flat angles C4'-P-C4' energy: -85.955 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -9.181 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: 48 Temperature: 1.350000 Total energy: -461.044368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.044368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.044368 (E_RNA) where: Base-Base interactions energy: -148.058 where: short stacking energy: -134.033 Base-Backbone interact. energy: 0.144 local terms energy: -313.131214 where: bonds (distance) C4'-P energy: -93.000 bonds (distance) P-C4' energy: -105.668 flat angles C4'-P-C4' energy: -93.227 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: 29.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1784.721592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.721592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.721592 (E_RNA) where: Base-Base interactions energy: -1210.815 where: short stacking energy: -507.031 Base-Backbone interact. energy: -1.953 local terms energy: -571.954048 where: bonds (distance) C4'-P energy: -127.445 bonds (distance) P-C4' energy: -109.705 flat angles C4'-P-C4' energy: -120.120 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -126.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1729.825249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.825249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.825249 (E_RNA) where: Base-Base interactions energy: -1135.044 where: short stacking energy: -526.778 Base-Backbone interact. energy: -1.069 local terms energy: -593.712371 where: bonds (distance) C4'-P energy: -111.587 bonds (distance) P-C4' energy: -103.905 flat angles C4'-P-C4' energy: -130.435 flat angles P-C4'-P energy: -82.188 tors. eta vs tors. theta energy: -165.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1647.150743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.150743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.150743 (E_RNA) where: Base-Base interactions energy: -1096.986 where: short stacking energy: -502.514 Base-Backbone interact. energy: -2.642 local terms energy: -547.522643 where: bonds (distance) C4'-P energy: -123.675 bonds (distance) P-C4' energy: -96.898 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -76.268 tors. eta vs tors. theta energy: -126.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1460.295405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.295405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.295405 (E_RNA) where: Base-Base interactions energy: -939.450 where: short stacking energy: -433.256 Base-Backbone interact. energy: -0.408 local terms energy: -520.437767 where: bonds (distance) C4'-P energy: -104.823 bonds (distance) P-C4' energy: -106.960 flat angles C4'-P-C4' energy: -121.556 flat angles P-C4'-P energy: -67.652 tors. eta vs tors. theta energy: -119.447 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: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1234.818715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.818715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.818715 (E_RNA) where: Base-Base interactions energy: -769.544 where: short stacking energy: -404.555 Base-Backbone interact. energy: 1.148 local terms energy: -466.423166 where: bonds (distance) C4'-P energy: -98.249 bonds (distance) P-C4' energy: -113.076 flat angles C4'-P-C4' energy: -106.667 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -92.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1311.541116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.541116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.541116 (E_RNA) where: Base-Base interactions energy: -803.855 where: short stacking energy: -392.142 Base-Backbone interact. energy: 0.504 local terms energy: -508.189318 where: bonds (distance) C4'-P energy: -110.927 bonds (distance) P-C4' energy: -110.299 flat angles C4'-P-C4' energy: -109.678 flat angles P-C4'-P energy: -67.168 tors. eta vs tors. theta energy: -110.117 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1030.306745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.306745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.306745 (E_RNA) where: Base-Base interactions energy: -600.924 where: short stacking energy: -308.958 Base-Backbone interact. energy: -1.932 local terms energy: -427.450853 where: bonds (distance) C4'-P energy: -102.019 bonds (distance) P-C4' energy: -108.059 flat angles C4'-P-C4' energy: -97.439 flat angles P-C4'-P energy: -57.370 tors. eta vs tors. theta energy: -62.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -758.018560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.018560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.018560 (E_RNA) where: Base-Base interactions energy: -387.306 where: short stacking energy: -217.691 Base-Backbone interact. energy: 3.426 local terms energy: -374.138040 where: bonds (distance) C4'-P energy: -102.815 bonds (distance) P-C4' energy: -106.599 flat angles C4'-P-C4' energy: -90.680 flat angles P-C4'-P energy: -54.754 tors. eta vs tors. theta energy: -19.291 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: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -809.705102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.705102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.705102 (E_RNA) where: Base-Base interactions energy: -460.716 where: short stacking energy: -228.875 Base-Backbone interact. energy: 4.718 local terms energy: -353.707130 where: bonds (distance) C4'-P energy: -97.443 bonds (distance) P-C4' energy: -91.587 flat angles C4'-P-C4' energy: -96.844 flat angles P-C4'-P energy: -51.885 tors. eta vs tors. theta energy: -15.948 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: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -459.637332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.637332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.637332 (E_RNA) where: Base-Base interactions energy: -162.873 where: short stacking energy: -135.373 Base-Backbone interact. energy: 3.487 local terms energy: -300.251173 where: bonds (distance) C4'-P energy: -95.714 bonds (distance) P-C4' energy: -97.848 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -46.755 tors. eta vs tors. theta energy: 19.731 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: 50 Temperature: 0.900000 Total energy: -1768.197525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.197525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.197525 (E_RNA) where: Base-Base interactions energy: -1167.113 where: short stacking energy: -499.774 Base-Backbone interact. energy: -0.843 local terms energy: -600.241373 where: bonds (distance) C4'-P energy: -115.677 bonds (distance) P-C4' energy: -129.624 flat angles C4'-P-C4' energy: -134.671 flat angles P-C4'-P energy: -80.210 tors. eta vs tors. theta energy: -140.059 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: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1739.641117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.641117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.641117 (E_RNA) where: Base-Base interactions energy: -1183.109 where: short stacking energy: -556.365 Base-Backbone interact. energy: -1.365 local terms energy: -555.167085 where: bonds (distance) C4'-P energy: -105.642 bonds (distance) P-C4' energy: -90.697 flat angles C4'-P-C4' energy: -128.217 flat angles P-C4'-P energy: -75.353 tors. eta vs tors. theta energy: -155.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1630.751260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.751260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.751260 (E_RNA) where: Base-Base interactions energy: -1081.233 where: short stacking energy: -478.494 Base-Backbone interact. energy: 0.089 local terms energy: -549.606973 where: bonds (distance) C4'-P energy: -97.974 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -126.099 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -140.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1452.104199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.104199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.104199 (E_RNA) where: Base-Base interactions energy: -932.111 where: short stacking energy: -449.766 Base-Backbone interact. energy: -1.050 local terms energy: -518.942688 where: bonds (distance) C4'-P energy: -97.938 bonds (distance) P-C4' energy: -112.578 flat angles C4'-P-C4' energy: -104.216 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -122.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1462.000492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.000492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.000492 (E_RNA) where: Base-Base interactions energy: -933.493 where: short stacking energy: -420.170 Base-Backbone interact. energy: -2.088 local terms energy: -526.419244 where: bonds (distance) C4'-P energy: -115.242 bonds (distance) P-C4' energy: -102.583 flat angles C4'-P-C4' energy: -125.522 flat angles P-C4'-P energy: -63.869 tors. eta vs tors. theta energy: -119.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1130.165901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.165901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.165901 (E_RNA) where: Base-Base interactions energy: -689.116 where: short stacking energy: -329.643 Base-Backbone interact. energy: -0.592 local terms energy: -440.458137 where: bonds (distance) C4'-P energy: -107.899 bonds (distance) P-C4' energy: -109.502 flat angles C4'-P-C4' energy: -89.295 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -59.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1078.287745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.287745 (E_RNA) where: Base-Base interactions energy: -638.236 where: short stacking energy: -315.170 Base-Backbone interact. energy: -0.816 local terms energy: -439.236193 where: bonds (distance) C4'-P energy: -106.027 bonds (distance) P-C4' energy: -98.222 flat angles C4'-P-C4' energy: -103.661 flat angles P-C4'-P energy: -62.880 tors. eta vs tors. theta energy: -68.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -838.503333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.503333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.503333 (E_RNA) where: Base-Base interactions energy: -496.634 where: short stacking energy: -238.245 Base-Backbone interact. energy: 3.971 local terms energy: -345.840065 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -99.366 flat angles C4'-P-C4' energy: -84.343 flat angles P-C4'-P energy: -49.236 tors. eta vs tors. theta energy: -17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -811.705943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.705943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.705943 (E_RNA) where: Base-Base interactions energy: -477.932 where: short stacking energy: -230.256 Base-Backbone interact. energy: 3.985 local terms energy: -337.759657 where: bonds (distance) C4'-P energy: -91.951 bonds (distance) P-C4' energy: -100.403 flat angles C4'-P-C4' energy: -89.171 flat angles P-C4'-P energy: -39.472 tors. eta vs tors. theta energy: -16.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -450.010352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.010352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.010352 (E_RNA) where: Base-Base interactions energy: -136.124 where: short stacking energy: -119.895 Base-Backbone interact. energy: 0.982 local terms energy: -314.867891 where: bonds (distance) C4'-P energy: -91.184 bonds (distance) P-C4' energy: -118.399 flat angles C4'-P-C4' energy: -69.369 flat angles P-C4'-P energy: -56.257 tors. eta vs tors. theta energy: 20.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1769.562168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.562168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.562168 (E_RNA) where: Base-Base interactions energy: -1188.825 where: short stacking energy: -526.471 Base-Backbone interact. energy: -2.416 local terms energy: -578.321790 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -121.549 flat angles C4'-P-C4' energy: -137.196 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -134.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1742.676807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.676807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.676807 (E_RNA) where: Base-Base interactions energy: -1155.177 where: short stacking energy: -533.989 Base-Backbone interact. energy: -1.973 local terms energy: -585.526060 where: bonds (distance) C4'-P energy: -110.427 bonds (distance) P-C4' energy: -121.207 flat angles C4'-P-C4' energy: -128.970 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -152.234 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1662.539080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.539080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.539080 (E_RNA) where: Base-Base interactions energy: -1105.390 where: short stacking energy: -506.880 Base-Backbone interact. energy: -4.799 local terms energy: -552.350588 where: bonds (distance) C4'-P energy: -107.436 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -118.933 flat angles P-C4'-P energy: -91.374 tors. eta vs tors. theta energy: -130.704 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: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1522.250419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.250419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.250419 (E_RNA) where: Base-Base interactions energy: -992.574 where: short stacking energy: -447.865 Base-Backbone interact. energy: -3.962 local terms energy: -525.714030 where: bonds (distance) C4'-P energy: -102.631 bonds (distance) P-C4' energy: -103.367 flat angles C4'-P-C4' energy: -110.309 flat angles P-C4'-P energy: -67.182 tors. eta vs tors. theta energy: -142.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1398.418131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.418131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.418131 (E_RNA) where: Base-Base interactions energy: -897.377 where: short stacking energy: -397.332 Base-Backbone interact. energy: -3.494 local terms energy: -497.547125 where: bonds (distance) C4'-P energy: -102.549 bonds (distance) P-C4' energy: -97.663 flat angles C4'-P-C4' energy: -120.519 flat angles P-C4'-P energy: -76.464 tors. eta vs tors. theta energy: -100.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1146.512082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.512082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.512082 (E_RNA) where: Base-Base interactions energy: -698.019 where: short stacking energy: -319.895 Base-Backbone interact. energy: 0.905 local terms energy: -449.398204 where: bonds (distance) C4'-P energy: -101.556 bonds (distance) P-C4' energy: -112.565 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: -59.228 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: 51 Temperature: 1.200000 Total energy: -1057.757187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.757187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.757187 (E_RNA) where: Base-Base interactions energy: -618.990 where: short stacking energy: -290.959 Base-Backbone interact. energy: -1.074 local terms energy: -437.693887 where: bonds (distance) C4'-P energy: -95.417 bonds (distance) P-C4' energy: -105.433 flat angles C4'-P-C4' energy: -100.310 flat angles P-C4'-P energy: -64.294 tors. eta vs tors. theta energy: -72.239 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: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -908.595831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.595831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.595831 (E_RNA) where: Base-Base interactions energy: -528.173 where: short stacking energy: -266.689 Base-Backbone interact. energy: -2.186 local terms energy: -378.237338 where: bonds (distance) C4'-P energy: -105.306 bonds (distance) P-C4' energy: -89.346 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: -40.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -809.234739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.234739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.234739 (E_RNA) where: Base-Base interactions energy: -438.587 where: short stacking energy: -215.007 Base-Backbone interact. energy: -2.838 local terms energy: -367.810028 where: bonds (distance) C4'-P energy: -99.735 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -79.325 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -35.064 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: 51 Temperature: 1.350000 Total energy: -482.079023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.079023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.079023 (E_RNA) where: Base-Base interactions energy: -162.346 where: short stacking energy: -140.592 Base-Backbone interact. energy: 1.376 local terms energy: -321.108822 where: bonds (distance) C4'-P energy: -102.009 bonds (distance) P-C4' energy: -86.418 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -52.450 tors. eta vs tors. theta energy: 15.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1767.496784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.496784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.496784 (E_RNA) where: Base-Base interactions energy: -1184.979 where: short stacking energy: -533.276 Base-Backbone interact. energy: -0.609 local terms energy: -581.908334 where: bonds (distance) C4'-P energy: -108.558 bonds (distance) P-C4' energy: -114.888 flat angles C4'-P-C4' energy: -135.158 flat angles P-C4'-P energy: -85.971 tors. eta vs tors. theta energy: -137.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1736.289629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.289629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.289629 (E_RNA) where: Base-Base interactions energy: -1144.449 where: short stacking energy: -526.312 Base-Backbone interact. energy: -2.218 local terms energy: -589.622241 where: bonds (distance) C4'-P energy: -123.495 bonds (distance) P-C4' energy: -112.958 flat angles C4'-P-C4' energy: -123.599 flat angles P-C4'-P energy: -68.411 tors. eta vs tors. theta energy: -161.159 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: 52 Temperature: 1.000000 Total energy: -1631.499758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.499758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.499758 (E_RNA) where: Base-Base interactions energy: -1093.888 where: short stacking energy: -504.035 Base-Backbone interact. energy: -1.488 local terms energy: -536.122835 where: bonds (distance) C4'-P energy: -102.998 bonds (distance) P-C4' energy: -108.450 flat angles C4'-P-C4' energy: -107.362 flat angles P-C4'-P energy: -78.143 tors. eta vs tors. theta energy: -139.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1464.345863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.345863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.345863 (E_RNA) where: Base-Base interactions energy: -935.841 where: short stacking energy: -424.968 Base-Backbone interact. energy: -3.090 local terms energy: -525.414684 where: bonds (distance) C4'-P energy: -111.808 bonds (distance) P-C4' energy: -109.001 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -66.263 tors. eta vs tors. theta energy: -114.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1400.604207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.604207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.604207 (E_RNA) where: Base-Base interactions energy: -917.979 where: short stacking energy: -404.249 Base-Backbone interact. energy: 5.938 local terms energy: -488.563116 where: bonds (distance) C4'-P energy: -106.265 bonds (distance) P-C4' energy: -104.697 flat angles C4'-P-C4' energy: -107.617 flat angles P-C4'-P energy: -67.159 tors. eta vs tors. theta energy: -102.826 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: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1207.533926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.533926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.533926 (E_RNA) where: Base-Base interactions energy: -710.511 where: short stacking energy: -361.381 Base-Backbone interact. energy: 1.071 local terms energy: -498.093951 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -117.719 flat angles C4'-P-C4' energy: -116.643 flat angles P-C4'-P energy: -74.352 tors. eta vs tors. theta energy: -86.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1063.205031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.205031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.205031 (E_RNA) where: Base-Base interactions energy: -662.669 where: short stacking energy: -332.604 Base-Backbone interact. energy: -1.675 local terms energy: -398.860446 where: bonds (distance) C4'-P energy: -96.664 bonds (distance) P-C4' energy: -87.445 flat angles C4'-P-C4' energy: -86.233 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -74.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -914.915570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.915570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.915570 (E_RNA) where: Base-Base interactions energy: -545.805 where: short stacking energy: -251.149 Base-Backbone interact. energy: 1.191 local terms energy: -370.302101 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -103.149 flat angles C4'-P-C4' energy: -92.988 flat angles P-C4'-P energy: -73.072 tors. eta vs tors. theta energy: -25.750 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: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -804.178490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.178490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.178490 (E_RNA) where: Base-Base interactions energy: -447.225 where: short stacking energy: -236.939 Base-Backbone interact. energy: 0.162 local terms energy: -357.115170 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -85.617 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -28.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -468.840320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.840320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.840320 (E_RNA) where: Base-Base interactions energy: -157.309 where: short stacking energy: -99.469 Base-Backbone interact. energy: 11.042 local terms energy: -322.573347 where: bonds (distance) C4'-P energy: -101.342 bonds (distance) P-C4' energy: -106.142 flat angles C4'-P-C4' energy: -79.558 flat angles P-C4'-P energy: -60.540 tors. eta vs tors. theta energy: 25.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1790.534457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.534457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.534457 (E_RNA) where: Base-Base interactions energy: -1191.654 where: short stacking energy: -510.950 Base-Backbone interact. energy: -1.839 local terms energy: -597.041344 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -127.443 flat angles C4'-P-C4' energy: -124.730 flat angles P-C4'-P energy: -80.737 tors. eta vs tors. theta energy: -140.351 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: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1769.194748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.194748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.194748 (E_RNA) where: Base-Base interactions energy: -1170.881 where: short stacking energy: -557.865 Base-Backbone interact. energy: -0.873 local terms energy: -597.441599 where: bonds (distance) C4'-P energy: -116.632 bonds (distance) P-C4' energy: -117.604 flat angles C4'-P-C4' energy: -124.921 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: -166.145 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: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1619.730666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.730666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.730666 (E_RNA) where: Base-Base interactions energy: -1061.734 where: short stacking energy: -491.407 Base-Backbone interact. energy: -1.228 local terms energy: -556.768022 where: bonds (distance) C4'-P energy: -99.393 bonds (distance) P-C4' energy: -113.321 flat angles C4'-P-C4' energy: -123.300 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -144.489 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: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1501.714680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.714680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.714680 (E_RNA) where: Base-Base interactions energy: -954.511 where: short stacking energy: -428.406 Base-Backbone interact. energy: -2.941 local terms energy: -544.263098 where: bonds (distance) C4'-P energy: -115.892 bonds (distance) P-C4' energy: -105.093 flat angles C4'-P-C4' energy: -120.611 flat angles P-C4'-P energy: -87.545 tors. eta vs tors. theta energy: -115.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1401.674848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.674848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.674848 (E_RNA) where: Base-Base interactions energy: -909.896 where: short stacking energy: -406.304 Base-Backbone interact. energy: -3.088 local terms energy: -488.690415 where: bonds (distance) C4'-P energy: -96.041 bonds (distance) P-C4' energy: -99.541 flat angles C4'-P-C4' energy: -109.080 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -109.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1188.102056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.102056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.102056 (E_RNA) where: Base-Base interactions energy: -756.858 where: short stacking energy: -356.833 Base-Backbone interact. energy: -0.820 local terms energy: -430.424443 where: bonds (distance) C4'-P energy: -110.342 bonds (distance) P-C4' energy: -94.307 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -53.773 tors. eta vs tors. theta energy: -75.544 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: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1042.909357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.909357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.909357 (E_RNA) where: Base-Base interactions energy: -627.609 where: short stacking energy: -319.206 Base-Backbone interact. energy: -2.463 local terms energy: -412.837253 where: bonds (distance) C4'-P energy: -92.678 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -107.644 flat angles P-C4'-P energy: -65.952 tors. eta vs tors. theta energy: -53.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -954.055967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.055967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.055967 (E_RNA) where: Base-Base interactions energy: -561.229 where: short stacking energy: -296.001 Base-Backbone interact. energy: 7.256 local terms energy: -400.083015 where: bonds (distance) C4'-P energy: -86.289 bonds (distance) P-C4' energy: -102.842 flat angles C4'-P-C4' energy: -82.867 flat angles P-C4'-P energy: -73.015 tors. eta vs tors. theta energy: -55.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -807.190279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.190279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.190279 (E_RNA) where: Base-Base interactions energy: -462.385 where: short stacking energy: -225.803 Base-Backbone interact. energy: -0.203 local terms energy: -344.602833 where: bonds (distance) C4'-P energy: -85.605 bonds (distance) P-C4' energy: -104.079 flat angles C4'-P-C4' energy: -74.854 flat angles P-C4'-P energy: -56.485 tors. eta vs tors. theta energy: -23.580 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: 53 Temperature: 1.350000 Total energy: -448.398374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.398374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.398374 (E_RNA) where: Base-Base interactions energy: -158.773 where: short stacking energy: -139.551 Base-Backbone interact. energy: -1.169 local terms energy: -288.456512 where: bonds (distance) C4'-P energy: -74.959 bonds (distance) P-C4' energy: -105.052 flat angles C4'-P-C4' energy: -73.699 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: 15.556 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: 54 Temperature: 0.900000 Total energy: -1799.260539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.260539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.260539 (E_RNA) where: Base-Base interactions energy: -1201.663 where: short stacking energy: -529.982 Base-Backbone interact. energy: -1.626 local terms energy: -595.971654 where: bonds (distance) C4'-P energy: -107.633 bonds (distance) P-C4' energy: -123.109 flat angles C4'-P-C4' energy: -130.506 flat angles P-C4'-P energy: -88.669 tors. eta vs tors. theta energy: -146.054 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: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1777.231027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.231027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.231027 (E_RNA) where: Base-Base interactions energy: -1160.658 where: short stacking energy: -540.237 Base-Backbone interact. energy: -2.220 local terms energy: -614.352678 where: bonds (distance) C4'-P energy: -117.756 bonds (distance) P-C4' energy: -128.026 flat angles C4'-P-C4' energy: -127.459 flat angles P-C4'-P energy: -82.294 tors. eta vs tors. theta energy: -158.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1621.617373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.617373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.617373 (E_RNA) where: Base-Base interactions energy: -1027.301 where: short stacking energy: -488.841 Base-Backbone interact. energy: -1.032 local terms energy: -593.284388 where: bonds (distance) C4'-P energy: -118.374 bonds (distance) P-C4' energy: -120.281 flat angles C4'-P-C4' energy: -128.815 flat angles P-C4'-P energy: -91.098 tors. eta vs tors. theta energy: -134.717 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1503.371234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.371234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.371234 (E_RNA) where: Base-Base interactions energy: -956.758 where: short stacking energy: -443.468 Base-Backbone interact. energy: 2.135 local terms energy: -548.748682 where: bonds (distance) C4'-P energy: -112.261 bonds (distance) P-C4' energy: -113.675 flat angles C4'-P-C4' energy: -118.695 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -126.936 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: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1412.307975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.307975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.307975 (E_RNA) where: Base-Base interactions energy: -913.002 where: short stacking energy: -415.423 Base-Backbone interact. energy: -1.784 local terms energy: -497.521710 where: bonds (distance) C4'-P energy: -107.126 bonds (distance) P-C4' energy: -97.844 flat angles C4'-P-C4' energy: -105.569 flat angles P-C4'-P energy: -78.360 tors. eta vs tors. theta energy: -108.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1240.233285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.233285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.233285 (E_RNA) where: Base-Base interactions energy: -767.761 where: short stacking energy: -352.285 Base-Backbone interact. energy: 0.561 local terms energy: -473.033607 where: bonds (distance) C4'-P energy: -110.563 bonds (distance) P-C4' energy: -115.829 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: -66.723 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: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1108.690624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.690624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.690624 (E_RNA) where: Base-Base interactions energy: -672.626 where: short stacking energy: -307.925 Base-Backbone interact. energy: -0.310 local terms energy: -435.754513 where: bonds (distance) C4'-P energy: -94.018 bonds (distance) P-C4' energy: -104.456 flat angles C4'-P-C4' energy: -107.355 flat angles P-C4'-P energy: -67.395 tors. eta vs tors. theta energy: -62.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -980.178317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.178317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.178317 (E_RNA) where: Base-Base interactions energy: -566.710 where: short stacking energy: -267.959 Base-Backbone interact. energy: -0.344 local terms energy: -413.123813 where: bonds (distance) C4'-P energy: -94.980 bonds (distance) P-C4' energy: -99.170 flat angles C4'-P-C4' energy: -97.781 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -58.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -775.463353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.463353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.463353 (E_RNA) where: Base-Base interactions energy: -435.377 where: short stacking energy: -217.329 Base-Backbone interact. energy: 3.355 local terms energy: -343.441077 where: bonds (distance) C4'-P energy: -96.648 bonds (distance) P-C4' energy: -98.402 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -6.385 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: 54 Temperature: 1.350000 Total energy: -441.045249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.045249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.045249 (E_RNA) where: Base-Base interactions energy: -176.923 where: short stacking energy: -137.763 Base-Backbone interact. energy: 2.917 local terms energy: -267.038895 where: bonds (distance) C4'-P energy: -106.268 bonds (distance) P-C4' energy: -92.706 flat angles C4'-P-C4' energy: -47.538 flat angles P-C4'-P energy: -30.206 tors. eta vs tors. theta energy: 9.679 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: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1774.865261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.865261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.865261 (E_RNA) where: Base-Base interactions energy: -1185.581 where: short stacking energy: -514.810 Base-Backbone interact. energy: -1.837 local terms energy: -587.447603 where: bonds (distance) C4'-P energy: -112.883 bonds (distance) P-C4' energy: -113.767 flat angles C4'-P-C4' energy: -126.687 flat angles P-C4'-P energy: -91.817 tors. eta vs tors. theta energy: -142.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1741.491108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.491108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.491108 (E_RNA) where: Base-Base interactions energy: -1157.726 where: short stacking energy: -501.628 Base-Backbone interact. energy: -0.750 local terms energy: -583.014645 where: bonds (distance) C4'-P energy: -121.033 bonds (distance) P-C4' energy: -117.699 flat angles C4'-P-C4' energy: -126.356 flat angles P-C4'-P energy: -75.968 tors. eta vs tors. theta energy: -141.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1592.811849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.811849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.811849 (E_RNA) where: Base-Base interactions energy: -1068.387 where: short stacking energy: -482.037 Base-Backbone interact. energy: -2.025 local terms energy: -522.399099 where: bonds (distance) C4'-P energy: -111.413 bonds (distance) P-C4' energy: -92.333 flat angles C4'-P-C4' energy: -105.235 flat angles P-C4'-P energy: -80.040 tors. eta vs tors. theta energy: -133.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1506.246126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.246126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.246126 (E_RNA) where: Base-Base interactions energy: -975.291 where: short stacking energy: -436.312 Base-Backbone interact. energy: -0.545 local terms energy: -530.410643 where: bonds (distance) C4'-P energy: -97.686 bonds (distance) P-C4' energy: -111.878 flat angles C4'-P-C4' energy: -121.818 flat angles P-C4'-P energy: -82.213 tors. eta vs tors. theta energy: -116.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1441.270239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.270239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.270239 (E_RNA) where: Base-Base interactions energy: -939.147 where: short stacking energy: -404.410 Base-Backbone interact. energy: -2.140 local terms energy: -499.983112 where: bonds (distance) C4'-P energy: -102.524 bonds (distance) P-C4' energy: -107.854 flat angles C4'-P-C4' energy: -111.475 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -110.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1252.376527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.376527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.376527 (E_RNA) where: Base-Base interactions energy: -785.633 where: short stacking energy: -353.214 Base-Backbone interact. energy: -0.551 local terms energy: -466.192446 where: bonds (distance) C4'-P energy: -105.005 bonds (distance) P-C4' energy: -104.499 flat angles C4'-P-C4' energy: -98.901 flat angles P-C4'-P energy: -72.233 tors. eta vs tors. theta energy: -85.554 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: 55 Temperature: 1.200000 Total energy: -1116.962945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.962945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.962945 (E_RNA) where: Base-Base interactions energy: -695.154 where: short stacking energy: -336.059 Base-Backbone interact. energy: -2.178 local terms energy: -419.630988 where: bonds (distance) C4'-P energy: -84.210 bonds (distance) P-C4' energy: -98.428 flat angles C4'-P-C4' energy: -95.563 flat angles P-C4'-P energy: -64.756 tors. eta vs tors. theta energy: -76.674 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: 55 Temperature: 1.250000 Total energy: -985.140489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.140489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.140489 (E_RNA) where: Base-Base interactions energy: -584.731 where: short stacking energy: -292.461 Base-Backbone interact. energy: 0.370 local terms energy: -400.779412 where: bonds (distance) C4'-P energy: -92.565 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -112.282 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -53.195 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: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -777.853130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.853130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.853130 (E_RNA) where: Base-Base interactions energy: -413.240 where: short stacking energy: -216.826 Base-Backbone interact. energy: -0.538 local terms energy: -364.074648 where: bonds (distance) C4'-P energy: -92.091 bonds (distance) P-C4' energy: -104.093 flat angles C4'-P-C4' energy: -94.829 flat angles P-C4'-P energy: -60.100 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -443.004975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.004975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.004975 (E_RNA) where: Base-Base interactions energy: -154.829 where: short stacking energy: -111.759 Base-Backbone interact. energy: 0.409 local terms energy: -288.585693 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -107.258 flat angles C4'-P-C4' energy: -67.265 flat angles P-C4'-P energy: -30.710 tors. eta vs tors. theta energy: 13.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1833.994609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.994609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.994609 (E_RNA) where: Base-Base interactions energy: -1222.731 where: short stacking energy: -533.859 Base-Backbone interact. energy: -3.687 local terms energy: -607.576574 where: bonds (distance) C4'-P energy: -107.389 bonds (distance) P-C4' energy: -133.487 flat angles C4'-P-C4' energy: -123.190 flat angles P-C4'-P energy: -83.432 tors. eta vs tors. theta energy: -160.079 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: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1712.787490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.787490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.787490 (E_RNA) where: Base-Base interactions energy: -1140.700 where: short stacking energy: -518.026 Base-Backbone interact. energy: -3.352 local terms energy: -568.735356 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -102.671 flat angles C4'-P-C4' energy: -118.727 flat angles P-C4'-P energy: -77.598 tors. eta vs tors. theta energy: -150.468 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: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1610.336460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.336460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.336460 (E_RNA) where: Base-Base interactions energy: -1033.225 where: short stacking energy: -482.411 Base-Backbone interact. energy: -2.107 local terms energy: -575.005020 where: bonds (distance) C4'-P energy: -105.314 bonds (distance) P-C4' energy: -107.318 flat angles C4'-P-C4' energy: -131.333 flat angles P-C4'-P energy: -95.176 tors. eta vs tors. theta energy: -135.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1493.146056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.146056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.146056 (E_RNA) where: Base-Base interactions energy: -961.857 where: short stacking energy: -448.399 Base-Backbone interact. energy: -2.935 local terms energy: -528.353149 where: bonds (distance) C4'-P energy: -113.745 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -123.745 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -111.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1498.199564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.199564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.199564 (E_RNA) where: Base-Base interactions energy: -962.552 where: short stacking energy: -439.318 Base-Backbone interact. energy: 0.698 local terms energy: -536.344710 where: bonds (distance) C4'-P energy: -100.658 bonds (distance) P-C4' energy: -125.204 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -77.501 tors. eta vs tors. theta energy: -118.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1309.230408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.230408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.230408 (E_RNA) where: Base-Base interactions energy: -808.216 where: short stacking energy: -380.569 Base-Backbone interact. energy: 1.570 local terms energy: -502.584973 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -111.444 flat angles C4'-P-C4' energy: -110.705 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -97.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1134.617093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.617093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.617093 (E_RNA) where: Base-Base interactions energy: -709.625 where: short stacking energy: -362.665 Base-Backbone interact. energy: 0.280 local terms energy: -425.271422 where: bonds (distance) C4'-P energy: -83.955 bonds (distance) P-C4' energy: -105.193 flat angles C4'-P-C4' energy: -97.060 flat angles P-C4'-P energy: -68.240 tors. eta vs tors. theta energy: -70.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -958.438601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.438601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.438601 (E_RNA) where: Base-Base interactions energy: -557.565 where: short stacking energy: -274.315 Base-Backbone interact. energy: 3.977 local terms energy: -404.850292 where: bonds (distance) C4'-P energy: -100.151 bonds (distance) P-C4' energy: -93.366 flat angles C4'-P-C4' energy: -95.586 flat angles P-C4'-P energy: -67.956 tors. eta vs tors. theta energy: -47.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -813.306232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.306232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.306232 (E_RNA) where: Base-Base interactions energy: -461.507 where: short stacking energy: -225.567 Base-Backbone interact. energy: 1.300 local terms energy: -353.099816 where: bonds (distance) C4'-P energy: -102.661 bonds (distance) P-C4' energy: -93.208 flat angles C4'-P-C4' energy: -81.214 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -31.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -485.654312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.654312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.654312 (E_RNA) where: Base-Base interactions energy: -200.915 where: short stacking energy: -132.384 Base-Backbone interact. energy: -0.202 local terms energy: -284.537387 where: bonds (distance) C4'-P energy: -95.681 bonds (distance) P-C4' energy: -90.998 flat angles C4'-P-C4' energy: -71.977 flat angles P-C4'-P energy: -45.966 tors. eta vs tors. theta energy: 20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1818.473455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.473455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.473455 (E_RNA) where: Base-Base interactions energy: -1238.559 where: short stacking energy: -557.198 Base-Backbone interact. energy: -2.040 local terms energy: -577.874363 where: bonds (distance) C4'-P energy: -123.412 bonds (distance) P-C4' energy: -112.716 flat angles C4'-P-C4' energy: -119.829 flat angles P-C4'-P energy: -79.142 tors. eta vs tors. theta energy: -142.776 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: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1730.782523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.782523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.782523 (E_RNA) where: Base-Base interactions energy: -1163.743 where: short stacking energy: -479.433 Base-Backbone interact. energy: -1.905 local terms energy: -565.134201 where: bonds (distance) C4'-P energy: -116.147 bonds (distance) P-C4' energy: -118.122 flat angles C4'-P-C4' energy: -118.476 flat angles P-C4'-P energy: -85.083 tors. eta vs tors. theta energy: -127.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1623.224631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.224631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.224631 (E_RNA) where: Base-Base interactions energy: -1058.050 where: short stacking energy: -493.913 Base-Backbone interact. energy: -1.052 local terms energy: -564.123447 where: bonds (distance) C4'-P energy: -107.567 bonds (distance) P-C4' energy: -113.750 flat angles C4'-P-C4' energy: -122.757 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -142.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1517.542970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.542970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.542970 (E_RNA) where: Base-Base interactions energy: -993.743 where: short stacking energy: -469.371 Base-Backbone interact. energy: -1.770 local terms energy: -522.030193 where: bonds (distance) C4'-P energy: -96.526 bonds (distance) P-C4' energy: -104.006 flat angles C4'-P-C4' energy: -113.634 flat angles P-C4'-P energy: -78.610 tors. eta vs tors. theta energy: -129.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1517.041832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.041832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.041832 (E_RNA) where: Base-Base interactions energy: -972.667 where: short stacking energy: -473.778 Base-Backbone interact. energy: -2.702 local terms energy: -541.672139 where: bonds (distance) C4'-P energy: -98.379 bonds (distance) P-C4' energy: -121.425 flat angles C4'-P-C4' energy: -115.071 flat angles P-C4'-P energy: -75.914 tors. eta vs tors. theta energy: -130.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1312.717229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.717229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.717229 (E_RNA) where: Base-Base interactions energy: -856.369 where: short stacking energy: -412.874 Base-Backbone interact. energy: 1.076 local terms energy: -457.424301 where: bonds (distance) C4'-P energy: -89.857 bonds (distance) P-C4' energy: -96.719 flat angles C4'-P-C4' energy: -106.926 flat angles P-C4'-P energy: -68.319 tors. eta vs tors. theta energy: -95.605 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: 57 Temperature: 1.200000 Total energy: -1103.377573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.377573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.377573 (E_RNA) where: Base-Base interactions energy: -678.410 where: short stacking energy: -335.528 Base-Backbone interact. energy: -1.193 local terms energy: -423.773793 where: bonds (distance) C4'-P energy: -87.707 bonds (distance) P-C4' energy: -99.786 flat angles C4'-P-C4' energy: -94.794 flat angles P-C4'-P energy: -73.813 tors. eta vs tors. theta energy: -67.673 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: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -822.672699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.672699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.672699 (E_RNA) where: Base-Base interactions energy: -454.359 where: short stacking energy: -242.736 Base-Backbone interact. energy: -2.477 local terms energy: -365.836774 where: bonds (distance) C4'-P energy: -86.739 bonds (distance) P-C4' energy: -109.597 flat angles C4'-P-C4' energy: -94.393 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -18.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -941.351605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.351605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.351605 (E_RNA) where: Base-Base interactions energy: -555.505 where: short stacking energy: -243.124 Base-Backbone interact. energy: -3.642 local terms energy: -382.204577 where: bonds (distance) C4'-P energy: -86.681 bonds (distance) P-C4' energy: -115.218 flat angles C4'-P-C4' energy: -92.125 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -38.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -469.332202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.332202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.332202 (E_RNA) where: Base-Base interactions energy: -173.093 where: short stacking energy: -142.367 Base-Backbone interact. energy: 0.502 local terms energy: -296.741615 where: bonds (distance) C4'-P energy: -85.828 bonds (distance) P-C4' energy: -92.441 flat angles C4'-P-C4' energy: -81.762 flat angles P-C4'-P energy: -53.004 tors. eta vs tors. theta energy: 16.294 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: 58 Temperature: 0.900000 Total energy: -1834.905945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.905945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.905945 (E_RNA) where: Base-Base interactions energy: -1230.532 where: short stacking energy: -536.281 Base-Backbone interact. energy: -1.799 local terms energy: -602.575307 where: bonds (distance) C4'-P energy: -109.778 bonds (distance) P-C4' energy: -125.824 flat angles C4'-P-C4' energy: -142.895 flat angles P-C4'-P energy: -70.659 tors. eta vs tors. theta energy: -153.420 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: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1723.606567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.606567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.606567 (E_RNA) where: Base-Base interactions energy: -1141.453 where: short stacking energy: -528.436 Base-Backbone interact. energy: -2.799 local terms energy: -579.354707 where: bonds (distance) C4'-P energy: -103.301 bonds (distance) P-C4' energy: -125.285 flat angles C4'-P-C4' energy: -133.067 flat angles P-C4'-P energy: -86.709 tors. eta vs tors. theta energy: -130.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1609.563510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.563510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.563510 (E_RNA) where: Base-Base interactions energy: -1075.128 where: short stacking energy: -464.433 Base-Backbone interact. energy: -2.725 local terms energy: -531.710641 where: bonds (distance) C4'-P energy: -104.064 bonds (distance) P-C4' energy: -104.672 flat angles C4'-P-C4' energy: -123.316 flat angles P-C4'-P energy: -76.621 tors. eta vs tors. theta energy: -123.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1532.678109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.678109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.678109 (E_RNA) where: Base-Base interactions energy: -971.558 where: short stacking energy: -446.974 Base-Backbone interact. energy: -1.373 local terms energy: -559.747155 where: bonds (distance) C4'-P energy: -103.247 bonds (distance) P-C4' energy: -112.452 flat angles C4'-P-C4' energy: -124.322 flat angles P-C4'-P energy: -88.769 tors. eta vs tors. theta energy: -130.957 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: 58 Temperature: 1.100000 Total energy: -1421.852727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.852727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.852727 (E_RNA) where: Base-Base interactions energy: -917.225 where: short stacking energy: -416.427 Base-Backbone interact. energy: -0.067 local terms energy: -504.560375 where: bonds (distance) C4'-P energy: -91.965 bonds (distance) P-C4' energy: -122.863 flat angles C4'-P-C4' energy: -105.057 flat angles P-C4'-P energy: -70.699 tors. eta vs tors. theta energy: -113.977 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: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1287.215715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.215715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.215715 (E_RNA) where: Base-Base interactions energy: -804.206 where: short stacking energy: -371.255 Base-Backbone interact. energy: -1.149 local terms energy: -481.861141 where: bonds (distance) C4'-P energy: -106.288 bonds (distance) P-C4' energy: -100.690 flat angles C4'-P-C4' energy: -118.803 flat angles P-C4'-P energy: -66.214 tors. eta vs tors. theta energy: -89.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1106.656498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.656498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.656498 (E_RNA) where: Base-Base interactions energy: -691.694 where: short stacking energy: -335.801 Base-Backbone interact. energy: -1.098 local terms energy: -413.864404 where: bonds (distance) C4'-P energy: -88.542 bonds (distance) P-C4' energy: -96.077 flat angles C4'-P-C4' energy: -92.223 flat angles P-C4'-P energy: -66.006 tors. eta vs tors. theta energy: -71.016 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: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -859.201245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.201245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.201245 (E_RNA) where: Base-Base interactions energy: -510.883 where: short stacking energy: -234.481 Base-Backbone interact. energy: -2.490 local terms energy: -345.827964 where: bonds (distance) C4'-P energy: -90.659 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -92.291 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -17.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -993.794647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.794647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.794647 (E_RNA) where: Base-Base interactions energy: -611.080 where: short stacking energy: -267.338 Base-Backbone interact. energy: -0.516 local terms energy: -382.198141 where: bonds (distance) C4'-P energy: -78.579 bonds (distance) P-C4' energy: -104.172 flat angles C4'-P-C4' energy: -89.465 flat angles P-C4'-P energy: -55.472 tors. eta vs tors. theta energy: -54.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -473.267479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.267479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.267479 (E_RNA) where: Base-Base interactions energy: -162.111 where: short stacking energy: -121.651 Base-Backbone interact. energy: -0.281 local terms energy: -310.876109 where: bonds (distance) C4'-P energy: -90.671 bonds (distance) P-C4' energy: -92.201 flat angles C4'-P-C4' energy: -84.646 flat angles P-C4'-P energy: -66.796 tors. eta vs tors. theta energy: 23.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1865.898189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.898189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.898189 (E_RNA) where: Base-Base interactions energy: -1266.649 where: short stacking energy: -575.872 Base-Backbone interact. energy: -2.623 local terms energy: -596.625770 where: bonds (distance) C4'-P energy: -110.122 bonds (distance) P-C4' energy: -118.062 flat angles C4'-P-C4' energy: -130.915 flat angles P-C4'-P energy: -71.774 tors. eta vs tors. theta energy: -165.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1733.472415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.472415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.472415 (E_RNA) where: Base-Base interactions energy: -1158.500 where: short stacking energy: -493.066 Base-Backbone interact. energy: -3.356 local terms energy: -571.617124 where: bonds (distance) C4'-P energy: -121.944 bonds (distance) P-C4' energy: -101.895 flat angles C4'-P-C4' energy: -126.546 flat angles P-C4'-P energy: -76.568 tors. eta vs tors. theta energy: -144.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1665.717033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.717033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.717033 (E_RNA) where: Base-Base interactions energy: -1127.886 where: short stacking energy: -465.039 Base-Backbone interact. energy: -1.592 local terms energy: -536.238693 where: bonds (distance) C4'-P energy: -103.131 bonds (distance) P-C4' energy: -117.810 flat angles C4'-P-C4' energy: -115.163 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: -130.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1580.013172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.013172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.013172 (E_RNA) where: Base-Base interactions energy: -1028.300 where: short stacking energy: -463.557 Base-Backbone interact. energy: -1.967 local terms energy: -549.745414 where: bonds (distance) C4'-P energy: -99.429 bonds (distance) P-C4' energy: -112.613 flat angles C4'-P-C4' energy: -125.726 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -132.468 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: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1474.392573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.392573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.392573 (E_RNA) where: Base-Base interactions energy: -941.274 where: short stacking energy: -423.269 Base-Backbone interact. energy: -1.999 local terms energy: -531.119000 where: bonds (distance) C4'-P energy: -105.214 bonds (distance) P-C4' energy: -104.642 flat angles C4'-P-C4' energy: -113.989 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -125.225 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: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1281.568833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.568833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.568833 (E_RNA) where: Base-Base interactions energy: -828.412 where: short stacking energy: -381.565 Base-Backbone interact. energy: 1.543 local terms energy: -454.699631 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -102.926 flat angles C4'-P-C4' energy: -105.504 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -90.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1192.315210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.315210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.315210 (E_RNA) where: Base-Base interactions energy: -733.586 where: short stacking energy: -340.393 Base-Backbone interact. energy: -1.637 local terms energy: -457.092679 where: bonds (distance) C4'-P energy: -113.413 bonds (distance) P-C4' energy: -105.609 flat angles C4'-P-C4' energy: -113.651 flat angles P-C4'-P energy: -56.800 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: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1074.843699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.843699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.843699 (E_RNA) where: Base-Base interactions energy: -647.357 where: short stacking energy: -317.998 Base-Backbone interact. energy: 0.381 local terms energy: -427.868158 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -107.947 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -52.561 tors. eta vs tors. theta energy: -70.087 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: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -853.921418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.921418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.921418 (E_RNA) where: Base-Base interactions energy: -519.923 where: short stacking energy: -230.607 Base-Backbone interact. energy: -1.948 local terms energy: -332.050623 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -100.934 flat angles C4'-P-C4' energy: -78.532 flat angles P-C4'-P energy: -46.247 tors. eta vs tors. theta energy: -20.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -458.869569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.869569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.869569 (E_RNA) where: Base-Base interactions energy: -165.934 where: short stacking energy: -145.195 Base-Backbone interact. energy: -1.498 local terms energy: -291.437455 where: bonds (distance) C4'-P energy: -80.465 bonds (distance) P-C4' energy: -91.453 flat angles C4'-P-C4' energy: -87.877 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: 21.874 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: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1778.723376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.723376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.723376 (E_RNA) where: Base-Base interactions energy: -1203.646 where: short stacking energy: -528.175 Base-Backbone interact. energy: -0.480 local terms energy: -574.597457 where: bonds (distance) C4'-P energy: -112.458 bonds (distance) P-C4' energy: -114.522 flat angles C4'-P-C4' energy: -129.440 flat angles P-C4'-P energy: -81.804 tors. eta vs tors. theta energy: -136.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1808.923237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.923237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.923237 (E_RNA) where: Base-Base interactions energy: -1220.265 where: short stacking energy: -565.453 Base-Backbone interact. energy: -0.468 local terms energy: -588.189687 where: bonds (distance) C4'-P energy: -109.013 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -126.006 flat angles P-C4'-P energy: -80.971 tors. eta vs tors. theta energy: -150.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1624.816580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.816580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.816580 (E_RNA) where: Base-Base interactions energy: -1083.168 where: short stacking energy: -480.030 Base-Backbone interact. energy: -2.681 local terms energy: -538.967686 where: bonds (distance) C4'-P energy: -111.303 bonds (distance) P-C4' energy: -115.307 flat angles C4'-P-C4' energy: -123.938 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -120.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1586.854237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.854237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.854237 (E_RNA) where: Base-Base interactions energy: -1031.383 where: short stacking energy: -475.674 Base-Backbone interact. energy: 0.431 local terms energy: -555.902746 where: bonds (distance) C4'-P energy: -118.440 bonds (distance) P-C4' energy: -106.562 flat angles C4'-P-C4' energy: -129.851 flat angles P-C4'-P energy: -74.434 tors. eta vs tors. theta energy: -126.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1453.099357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.099357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.099357 (E_RNA) where: Base-Base interactions energy: -991.016 where: short stacking energy: -421.653 Base-Backbone interact. energy: 0.425 local terms energy: -462.508529 where: bonds (distance) C4'-P energy: -106.628 bonds (distance) P-C4' energy: -99.057 flat angles C4'-P-C4' energy: -97.468 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -97.580 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: 60 Temperature: 1.150000 Total energy: -1335.678950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.678950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.678950 (E_RNA) where: Base-Base interactions energy: -845.085 where: short stacking energy: -401.241 Base-Backbone interact. energy: -0.544 local terms energy: -490.050304 where: bonds (distance) C4'-P energy: -98.859 bonds (distance) P-C4' energy: -105.089 flat angles C4'-P-C4' energy: -118.092 flat angles P-C4'-P energy: -69.003 tors. eta vs tors. theta energy: -99.007 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: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1147.338099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.338099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.338099 (E_RNA) where: Base-Base interactions energy: -728.453 where: short stacking energy: -337.861 Base-Backbone interact. energy: 0.013 local terms energy: -418.898699 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -90.306 flat angles C4'-P-C4' energy: -109.770 flat angles P-C4'-P energy: -63.168 tors. eta vs tors. theta energy: -61.629 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: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1065.642513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.642513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.642513 (E_RNA) where: Base-Base interactions energy: -637.337 where: short stacking energy: -322.794 Base-Backbone interact. energy: -3.255 local terms energy: -425.050347 where: bonds (distance) C4'-P energy: -82.537 bonds (distance) P-C4' energy: -108.729 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -56.138 tors. eta vs tors. theta energy: -73.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -751.904431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.904431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.904431 (E_RNA) where: Base-Base interactions energy: -409.980 where: short stacking energy: -221.410 Base-Backbone interact. energy: -0.728 local terms energy: -341.196398 where: bonds (distance) C4'-P energy: -69.409 bonds (distance) P-C4' energy: -101.742 flat angles C4'-P-C4' energy: -95.397 flat angles P-C4'-P energy: -58.093 tors. eta vs tors. theta energy: -16.554 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: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -442.742491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.742491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.742491 (E_RNA) where: Base-Base interactions energy: -150.947 where: short stacking energy: -98.434 Base-Backbone interact. energy: -2.406 local terms energy: -289.390155 where: bonds (distance) C4'-P energy: -108.116 bonds (distance) P-C4' energy: -87.141 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -33.958 tors. eta vs tors. theta energy: 27.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1785.843726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.843726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.843726 (E_RNA) where: Base-Base interactions energy: -1198.423 where: short stacking energy: -541.734 Base-Backbone interact. energy: -3.096 local terms energy: -584.324581 where: bonds (distance) C4'-P energy: -107.677 bonds (distance) P-C4' energy: -114.484 flat angles C4'-P-C4' energy: -138.191 flat angles P-C4'-P energy: -79.159 tors. eta vs tors. theta energy: -144.812 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: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1790.352714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.352714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.352714 (E_RNA) where: Base-Base interactions energy: -1202.141 where: short stacking energy: -524.526 Base-Backbone interact. energy: -3.513 local terms energy: -584.699082 where: bonds (distance) C4'-P energy: -111.605 bonds (distance) P-C4' energy: -121.953 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -84.094 tors. eta vs tors. theta energy: -154.729 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: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1674.053589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.053589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.053589 (E_RNA) where: Base-Base interactions energy: -1119.368 where: short stacking energy: -518.298 Base-Backbone interact. energy: -1.229 local terms energy: -553.456631 where: bonds (distance) C4'-P energy: -124.268 bonds (distance) P-C4' energy: -117.753 flat angles C4'-P-C4' energy: -107.660 flat angles P-C4'-P energy: -64.932 tors. eta vs tors. theta energy: -138.843 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: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1593.239880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.239880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.239880 (E_RNA) where: Base-Base interactions energy: -1045.416 where: short stacking energy: -490.012 Base-Backbone interact. energy: -2.652 local terms energy: -545.171508 where: bonds (distance) C4'-P energy: -97.036 bonds (distance) P-C4' energy: -111.681 flat angles C4'-P-C4' energy: -121.236 flat angles P-C4'-P energy: -77.898 tors. eta vs tors. theta energy: -137.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1497.758617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.758617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.758617 (E_RNA) where: Base-Base interactions energy: -994.096 where: short stacking energy: -434.747 Base-Backbone interact. energy: -1.150 local terms energy: -502.512576 where: bonds (distance) C4'-P energy: -90.431 bonds (distance) P-C4' energy: -115.169 flat angles C4'-P-C4' energy: -93.481 flat angles P-C4'-P energy: -73.477 tors. eta vs tors. theta energy: -129.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1372.015086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.015086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.015086 (E_RNA) where: Base-Base interactions energy: -904.842 where: short stacking energy: -397.241 Base-Backbone interact. energy: -2.052 local terms energy: -465.120554 where: bonds (distance) C4'-P energy: -91.325 bonds (distance) P-C4' energy: -105.928 flat angles C4'-P-C4' energy: -98.391 flat angles P-C4'-P energy: -68.337 tors. eta vs tors. theta energy: -101.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1064.093602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.093602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.093602 (E_RNA) where: Base-Base interactions energy: -666.752 where: short stacking energy: -319.151 Base-Backbone interact. energy: 0.279 local terms energy: -397.621245 where: bonds (distance) C4'-P energy: -88.778 bonds (distance) P-C4' energy: -97.692 flat angles C4'-P-C4' energy: -103.298 flat angles P-C4'-P energy: -52.251 tors. eta vs tors. theta energy: -55.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1049.071455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.071455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.071455 (E_RNA) where: Base-Base interactions energy: -656.171 where: short stacking energy: -324.957 Base-Backbone interact. energy: -5.361 local terms energy: -387.539698 where: bonds (distance) C4'-P energy: -88.288 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -92.560 flat angles P-C4'-P energy: -54.530 tors. eta vs tors. theta energy: -61.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -798.521213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.521213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.521213 (E_RNA) where: Base-Base interactions energy: -424.166 where: short stacking energy: -224.103 Base-Backbone interact. energy: -0.912 local terms energy: -373.442974 where: bonds (distance) C4'-P energy: -93.026 bonds (distance) P-C4' energy: -110.355 flat angles C4'-P-C4' energy: -105.307 flat angles P-C4'-P energy: -56.423 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: 61 Temperature: 1.350000 Total energy: -455.031337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.031337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.031337 (E_RNA) where: Base-Base interactions energy: -133.492 where: short stacking energy: -125.912 Base-Backbone interact. energy: 0.805 local terms energy: -322.344337 where: bonds (distance) C4'-P energy: -97.389 bonds (distance) P-C4' energy: -109.263 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: 8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1808.595163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.595163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.595163 (E_RNA) where: Base-Base interactions energy: -1208.038 where: short stacking energy: -536.729 Base-Backbone interact. energy: -1.940 local terms energy: -598.616962 where: bonds (distance) C4'-P energy: -114.414 bonds (distance) P-C4' energy: -122.215 flat angles C4'-P-C4' energy: -125.400 flat angles P-C4'-P energy: -88.690 tors. eta vs tors. theta energy: -147.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1791.165385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.165385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.165385 (E_RNA) where: Base-Base interactions energy: -1195.176 where: short stacking energy: -537.124 Base-Backbone interact. energy: -2.105 local terms energy: -593.883975 where: bonds (distance) C4'-P energy: -123.081 bonds (distance) P-C4' energy: -113.053 flat angles C4'-P-C4' energy: -127.270 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -153.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1647.936624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.936624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.936624 (E_RNA) where: Base-Base interactions energy: -1113.984 where: short stacking energy: -508.272 Base-Backbone interact. energy: -0.160 local terms energy: -533.792327 where: bonds (distance) C4'-P energy: -105.543 bonds (distance) P-C4' energy: -107.165 flat angles C4'-P-C4' energy: -111.709 flat angles P-C4'-P energy: -75.213 tors. eta vs tors. theta energy: -134.163 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: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1570.062220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.062220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.062220 (E_RNA) where: Base-Base interactions energy: -1048.267 where: short stacking energy: -453.256 Base-Backbone interact. energy: -3.616 local terms energy: -518.179459 where: bonds (distance) C4'-P energy: -90.544 bonds (distance) P-C4' energy: -110.891 flat angles C4'-P-C4' energy: -114.538 flat angles P-C4'-P energy: -82.636 tors. eta vs tors. theta energy: -119.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1497.532669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.532669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.532669 (E_RNA) where: Base-Base interactions energy: -1003.671 where: short stacking energy: -452.178 Base-Backbone interact. energy: -0.590 local terms energy: -493.271276 where: bonds (distance) C4'-P energy: -99.936 bonds (distance) P-C4' energy: -100.853 flat angles C4'-P-C4' energy: -112.907 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -120.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1401.679198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.679198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.679198 (E_RNA) where: Base-Base interactions energy: -907.361 where: short stacking energy: -410.849 Base-Backbone interact. energy: -1.386 local terms energy: -492.932265 where: bonds (distance) C4'-P energy: -91.177 bonds (distance) P-C4' energy: -103.065 flat angles C4'-P-C4' energy: -123.555 flat angles P-C4'-P energy: -75.648 tors. eta vs tors. theta energy: -99.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1158.527847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.527847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.527847 (E_RNA) where: Base-Base interactions energy: -697.968 where: short stacking energy: -326.903 Base-Backbone interact. energy: 0.521 local terms energy: -461.080805 where: bonds (distance) C4'-P energy: -99.021 bonds (distance) P-C4' energy: -103.302 flat angles C4'-P-C4' energy: -111.221 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -78.709 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: 62 Temperature: 1.250000 Total energy: -1035.265199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.265199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.265199 (E_RNA) where: Base-Base interactions energy: -629.391 where: short stacking energy: -311.304 Base-Backbone interact. energy: -0.737 local terms energy: -405.136739 where: bonds (distance) C4'-P energy: -91.713 bonds (distance) P-C4' energy: -100.364 flat angles C4'-P-C4' energy: -100.104 flat angles P-C4'-P energy: -56.342 tors. eta vs tors. theta energy: -56.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -720.620367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.620367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.620367 (E_RNA) where: Base-Base interactions energy: -359.370 where: short stacking energy: -191.839 Base-Backbone interact. energy: 0.315 local terms energy: -361.565628 where: bonds (distance) C4'-P energy: -96.743 bonds (distance) P-C4' energy: -95.335 flat angles C4'-P-C4' energy: -94.855 flat angles P-C4'-P energy: -54.204 tors. eta vs tors. theta energy: -20.430 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: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -447.804157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.804157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.804157 (E_RNA) where: Base-Base interactions energy: -180.408 where: short stacking energy: -138.447 Base-Backbone interact. energy: 1.040 local terms energy: -268.435566 where: bonds (distance) C4'-P energy: -95.699 bonds (distance) P-C4' energy: -89.989 flat angles C4'-P-C4' energy: -61.525 flat angles P-C4'-P energy: -45.005 tors. eta vs tors. theta energy: 23.782 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: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1784.940979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.940979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.940979 (E_RNA) where: Base-Base interactions energy: -1200.900 where: short stacking energy: -549.545 Base-Backbone interact. energy: -2.085 local terms energy: -581.955771 where: bonds (distance) C4'-P energy: -111.852 bonds (distance) P-C4' energy: -107.271 flat angles C4'-P-C4' energy: -135.170 flat angles P-C4'-P energy: -76.093 tors. eta vs tors. theta energy: -151.570 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: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1794.724403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.724403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.724403 (E_RNA) where: Base-Base interactions energy: -1208.236 where: short stacking energy: -533.058 Base-Backbone interact. energy: -0.553 local terms energy: -585.935420 where: bonds (distance) C4'-P energy: -104.213 bonds (distance) P-C4' energy: -112.647 flat angles C4'-P-C4' energy: -124.844 flat angles P-C4'-P energy: -81.594 tors. eta vs tors. theta energy: -162.637 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: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1677.020453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.020453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.020453 (E_RNA) where: Base-Base interactions energy: -1122.313 where: short stacking energy: -505.511 Base-Backbone interact. energy: -3.666 local terms energy: -551.041453 where: bonds (distance) C4'-P energy: -113.424 bonds (distance) P-C4' energy: -113.972 flat angles C4'-P-C4' energy: -118.838 flat angles P-C4'-P energy: -71.621 tors. eta vs tors. theta energy: -133.187 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: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1598.857554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.857554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.857554 (E_RNA) where: Base-Base interactions energy: -1064.166 where: short stacking energy: -465.432 Base-Backbone interact. energy: -0.887 local terms energy: -533.804335 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -109.767 flat angles C4'-P-C4' energy: -115.085 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -118.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1548.856011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.856011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.856011 (E_RNA) where: Base-Base interactions energy: -1057.460 where: short stacking energy: -439.977 Base-Backbone interact. energy: -2.534 local terms energy: -488.861741 where: bonds (distance) C4'-P energy: -95.445 bonds (distance) P-C4' energy: -94.935 flat angles C4'-P-C4' energy: -113.672 flat angles P-C4'-P energy: -72.190 tors. eta vs tors. theta energy: -112.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1385.961938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.961938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.961938 (E_RNA) where: Base-Base interactions energy: -919.212 where: short stacking energy: -418.626 Base-Backbone interact. energy: 0.616 local terms energy: -467.366445 where: bonds (distance) C4'-P energy: -100.611 bonds (distance) P-C4' energy: -82.102 flat angles C4'-P-C4' energy: -110.306 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -101.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1168.898975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.898975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.898975 (E_RNA) where: Base-Base interactions energy: -740.645 where: short stacking energy: -347.348 Base-Backbone interact. energy: -1.814 local terms energy: -426.439570 where: bonds (distance) C4'-P energy: -83.272 bonds (distance) P-C4' energy: -113.707 flat angles C4'-P-C4' energy: -112.069 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -63.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -991.494143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.494143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.494143 (E_RNA) where: Base-Base interactions energy: -587.188 where: short stacking energy: -286.339 Base-Backbone interact. energy: 0.050 local terms energy: -404.355998 where: bonds (distance) C4'-P energy: -83.369 bonds (distance) P-C4' energy: -97.891 flat angles C4'-P-C4' energy: -113.554 flat angles P-C4'-P energy: -61.350 tors. eta vs tors. theta energy: -48.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -765.489634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.489634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.489634 (E_RNA) where: Base-Base interactions energy: -431.611 where: short stacking energy: -213.759 Base-Backbone interact. energy: -0.107 local terms energy: -333.771681 where: bonds (distance) C4'-P energy: -81.119 bonds (distance) P-C4' energy: -106.295 flat angles C4'-P-C4' energy: -76.453 flat angles P-C4'-P energy: -53.800 tors. eta vs tors. theta energy: -16.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -510.764887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.764887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.764887 (E_RNA) where: Base-Base interactions energy: -217.928 where: short stacking energy: -167.220 Base-Backbone interact. energy: 1.780 local terms energy: -294.616466 where: bonds (distance) C4'-P energy: -72.962 bonds (distance) P-C4' energy: -94.500 flat angles C4'-P-C4' energy: -64.388 flat angles P-C4'-P energy: -62.679 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1864.492063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.492063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.492063 (E_RNA) where: Base-Base interactions energy: -1251.462 where: short stacking energy: -571.651 Base-Backbone interact. energy: -5.574 local terms energy: -607.456081 where: bonds (distance) C4'-P energy: -122.847 bonds (distance) P-C4' energy: -123.554 flat angles C4'-P-C4' energy: -124.155 flat angles P-C4'-P energy: -65.770 tors. eta vs tors. theta energy: -171.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1749.885825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.885825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.885825 (E_RNA) where: Base-Base interactions energy: -1164.269 where: short stacking energy: -513.692 Base-Backbone interact. energy: -5.372 local terms energy: -580.244526 where: bonds (distance) C4'-P energy: -121.293 bonds (distance) P-C4' energy: -104.164 flat angles C4'-P-C4' energy: -131.672 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -143.861 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: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1698.675402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.675402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.675402 (E_RNA) where: Base-Base interactions energy: -1126.850 where: short stacking energy: -501.891 Base-Backbone interact. energy: -2.956 local terms energy: -568.869570 where: bonds (distance) C4'-P energy: -121.154 bonds (distance) P-C4' energy: -105.196 flat angles C4'-P-C4' energy: -127.363 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -137.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1544.654624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.654624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.654624 (E_RNA) where: Base-Base interactions energy: -1008.292 where: short stacking energy: -444.662 Base-Backbone interact. energy: -1.016 local terms energy: -535.347405 where: bonds (distance) C4'-P energy: -106.308 bonds (distance) P-C4' energy: -124.334 flat angles C4'-P-C4' energy: -114.532 flat angles P-C4'-P energy: -61.524 tors. eta vs tors. theta energy: -128.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1543.874419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.874419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.874419 (E_RNA) where: Base-Base interactions energy: -1030.907 where: short stacking energy: -436.153 Base-Backbone interact. energy: -3.944 local terms energy: -509.023776 where: bonds (distance) C4'-P energy: -109.272 bonds (distance) P-C4' energy: -109.715 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -65.699 tors. eta vs tors. theta energy: -112.494 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: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1394.807747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.807747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.807747 (E_RNA) where: Base-Base interactions energy: -924.640 where: short stacking energy: -411.342 Base-Backbone interact. energy: 1.463 local terms energy: -471.631002 where: bonds (distance) C4'-P energy: -102.478 bonds (distance) P-C4' energy: -99.914 flat angles C4'-P-C4' energy: -95.846 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -105.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1215.828132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.828132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.828132 (E_RNA) where: Base-Base interactions energy: -761.637 where: short stacking energy: -359.500 Base-Backbone interact. energy: 2.538 local terms energy: -456.729665 where: bonds (distance) C4'-P energy: -103.675 bonds (distance) P-C4' energy: -100.787 flat angles C4'-P-C4' energy: -112.229 flat angles P-C4'-P energy: -53.176 tors. eta vs tors. theta energy: -86.863 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: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1015.510320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.510320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.510320 (E_RNA) where: Base-Base interactions energy: -610.470 where: short stacking energy: -290.674 Base-Backbone interact. energy: -3.129 local terms energy: -401.911323 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -93.902 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -68.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -779.941748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.941748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.941748 (E_RNA) where: Base-Base interactions energy: -446.365 where: short stacking energy: -204.401 Base-Backbone interact. energy: 4.569 local terms energy: -338.145590 where: bonds (distance) C4'-P energy: -84.812 bonds (distance) P-C4' energy: -95.703 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -58.285 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -507.270544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.270544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.270544 (E_RNA) where: Base-Base interactions energy: -212.060 where: short stacking energy: -150.361 Base-Backbone interact. energy: 2.515 local terms energy: -297.726076 where: bonds (distance) C4'-P energy: -96.662 bonds (distance) P-C4' energy: -78.263 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -39.746 tors. eta vs tors. theta energy: 5.058 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: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1870.057500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.057500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.057500 (E_RNA) where: Base-Base interactions energy: -1260.428 where: short stacking energy: -550.162 Base-Backbone interact. energy: -4.208 local terms energy: -605.421018 where: bonds (distance) C4'-P energy: -113.154 bonds (distance) P-C4' energy: -111.068 flat angles C4'-P-C4' energy: -124.038 flat angles P-C4'-P energy: -96.387 tors. eta vs tors. theta energy: -160.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1735.049887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.049887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.049887 (E_RNA) where: Base-Base interactions energy: -1163.751 where: short stacking energy: -506.170 Base-Backbone interact. energy: -2.908 local terms energy: -568.390522 where: bonds (distance) C4'-P energy: -105.848 bonds (distance) P-C4' energy: -120.815 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -86.458 tors. eta vs tors. theta energy: -140.941 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: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1684.242863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.242863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.242863 (E_RNA) where: Base-Base interactions energy: -1129.100 where: short stacking energy: -503.878 Base-Backbone interact. energy: 0.660 local terms energy: -555.803179 where: bonds (distance) C4'-P energy: -104.968 bonds (distance) P-C4' energy: -111.323 flat angles C4'-P-C4' energy: -132.925 flat angles P-C4'-P energy: -70.674 tors. eta vs tors. theta energy: -135.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1567.917391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.917391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.917391 (E_RNA) where: Base-Base interactions energy: -1039.396 where: short stacking energy: -459.819 Base-Backbone interact. energy: -1.422 local terms energy: -527.099760 where: bonds (distance) C4'-P energy: -90.733 bonds (distance) P-C4' energy: -108.203 flat angles C4'-P-C4' energy: -115.913 flat angles P-C4'-P energy: -80.917 tors. eta vs tors. theta energy: -131.334 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1445.892761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.892761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.892761 (E_RNA) where: Base-Base interactions energy: -960.503 where: short stacking energy: -423.355 Base-Backbone interact. energy: -1.142 local terms energy: -484.247705 where: bonds (distance) C4'-P energy: -102.850 bonds (distance) P-C4' energy: -93.448 flat angles C4'-P-C4' energy: -115.210 flat angles P-C4'-P energy: -69.818 tors. eta vs tors. theta energy: -102.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1419.767826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.767826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.767826 (E_RNA) where: Base-Base interactions energy: -930.168 where: short stacking energy: -409.179 Base-Backbone interact. energy: 3.790 local terms energy: -493.389119 where: bonds (distance) C4'-P energy: -96.178 bonds (distance) P-C4' energy: -109.503 flat angles C4'-P-C4' energy: -110.539 flat angles P-C4'-P energy: -73.211 tors. eta vs tors. theta energy: -103.959 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: 65 Temperature: 1.200000 Total energy: -1260.125373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.125373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.125373 (E_RNA) where: Base-Base interactions energy: -803.060 where: short stacking energy: -379.641 Base-Backbone interact. energy: -0.583 local terms energy: -456.481865 where: bonds (distance) C4'-P energy: -89.362 bonds (distance) P-C4' energy: -115.772 flat angles C4'-P-C4' energy: -101.510 flat angles P-C4'-P energy: -52.987 tors. eta vs tors. theta energy: -96.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -963.410356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.410356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.410356 (E_RNA) where: Base-Base interactions energy: -562.921 where: short stacking energy: -252.329 Base-Backbone interact. energy: 2.045 local terms energy: -402.533736 where: bonds (distance) C4'-P energy: -110.691 bonds (distance) P-C4' energy: -106.667 flat angles C4'-P-C4' energy: -107.087 flat angles P-C4'-P energy: -46.374 tors. eta vs tors. theta energy: -31.715 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: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -766.357031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.357031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.357031 (E_RNA) where: Base-Base interactions energy: -416.862 where: short stacking energy: -222.261 Base-Backbone interact. energy: -0.685 local terms energy: -348.809656 where: bonds (distance) C4'-P energy: -78.812 bonds (distance) P-C4' energy: -108.437 flat angles C4'-P-C4' energy: -84.273 flat angles P-C4'-P energy: -62.143 tors. eta vs tors. theta energy: -15.145 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: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -449.145106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.145106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.145106 (E_RNA) where: Base-Base interactions energy: -170.053 where: short stacking energy: -123.770 Base-Backbone interact. energy: 4.039 local terms energy: -283.131567 where: bonds (distance) C4'-P energy: -85.208 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -58.321 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: 4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1867.316260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.316260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.316260 (E_RNA) where: Base-Base interactions energy: -1259.007 where: short stacking energy: -536.028 Base-Backbone interact. energy: -0.768 local terms energy: -607.541274 where: bonds (distance) C4'-P energy: -105.346 bonds (distance) P-C4' energy: -113.893 flat angles C4'-P-C4' energy: -139.857 flat angles P-C4'-P energy: -92.318 tors. eta vs tors. theta energy: -156.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1720.773351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.773351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.773351 (E_RNA) where: Base-Base interactions energy: -1140.801 where: short stacking energy: -532.000 Base-Backbone interact. energy: -3.317 local terms energy: -576.655352 where: bonds (distance) C4'-P energy: -114.286 bonds (distance) P-C4' energy: -107.845 flat angles C4'-P-C4' energy: -133.202 flat angles P-C4'-P energy: -79.359 tors. eta vs tors. theta energy: -141.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1703.869797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.869797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.869797 (E_RNA) where: Base-Base interactions energy: -1143.748 where: short stacking energy: -505.370 Base-Backbone interact. energy: -4.236 local terms energy: -555.886323 where: bonds (distance) C4'-P energy: -112.479 bonds (distance) P-C4' energy: -110.696 flat angles C4'-P-C4' energy: -123.770 flat angles P-C4'-P energy: -72.072 tors. eta vs tors. theta energy: -136.869 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: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1612.337697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.337697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.337697 (E_RNA) where: Base-Base interactions energy: -1048.527 where: short stacking energy: -488.724 Base-Backbone interact. energy: -1.826 local terms energy: -561.985537 where: bonds (distance) C4'-P energy: -116.992 bonds (distance) P-C4' energy: -120.374 flat angles C4'-P-C4' energy: -120.611 flat angles P-C4'-P energy: -67.559 tors. eta vs tors. theta energy: -136.449 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: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1495.774944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.774944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.774944 (E_RNA) where: Base-Base interactions energy: -1000.001 where: short stacking energy: -433.618 Base-Backbone interact. energy: -2.576 local terms energy: -493.197289 where: bonds (distance) C4'-P energy: -93.357 bonds (distance) P-C4' energy: -92.221 flat angles C4'-P-C4' energy: -123.037 flat angles P-C4'-P energy: -68.176 tors. eta vs tors. theta energy: -116.407 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: 66 Temperature: 1.150000 Total energy: -1511.804141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.804141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.804141 (E_RNA) where: Base-Base interactions energy: -1024.097 where: short stacking energy: -465.663 Base-Backbone interact. energy: -2.107 local terms energy: -485.600173 where: bonds (distance) C4'-P energy: -90.902 bonds (distance) P-C4' energy: -92.920 flat angles C4'-P-C4' energy: -102.944 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -128.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1247.298089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.298089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.298089 (E_RNA) where: Base-Base interactions energy: -809.109 where: short stacking energy: -350.422 Base-Backbone interact. energy: -0.878 local terms energy: -437.311738 where: bonds (distance) C4'-P energy: -73.879 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -118.760 flat angles P-C4'-P energy: -63.086 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: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1000.329198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.329198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.329198 (E_RNA) where: Base-Base interactions energy: -624.421 where: short stacking energy: -290.061 Base-Backbone interact. energy: 1.788 local terms energy: -377.696565 where: bonds (distance) C4'-P energy: -87.162 bonds (distance) P-C4' energy: -95.296 flat angles C4'-P-C4' energy: -92.020 flat angles P-C4'-P energy: -51.786 tors. eta vs tors. theta energy: -51.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -778.752941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.752941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.752941 (E_RNA) where: Base-Base interactions energy: -397.579 where: short stacking energy: -196.505 Base-Backbone interact. energy: -1.846 local terms energy: -379.327842 where: bonds (distance) C4'-P energy: -107.361 bonds (distance) P-C4' energy: -102.466 flat angles C4'-P-C4' energy: -96.283 flat angles P-C4'-P energy: -41.322 tors. eta vs tors. theta energy: -31.896 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: 66 Temperature: 1.350000 Total energy: -457.163327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.163327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.163327 (E_RNA) where: Base-Base interactions energy: -165.843 where: short stacking energy: -135.167 Base-Backbone interact. energy: -5.581 local terms energy: -285.738753 where: bonds (distance) C4'-P energy: -93.892 bonds (distance) P-C4' energy: -104.087 flat angles C4'-P-C4' energy: -81.703 flat angles P-C4'-P energy: -35.675 tors. eta vs tors. theta energy: 29.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1853.811984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.811984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.811984 (E_RNA) where: Base-Base interactions energy: -1251.562 where: short stacking energy: -556.330 Base-Backbone interact. energy: -2.981 local terms energy: -599.269389 where: bonds (distance) C4'-P energy: -123.484 bonds (distance) P-C4' energy: -102.038 flat angles C4'-P-C4' energy: -130.376 flat angles P-C4'-P energy: -83.365 tors. eta vs tors. theta energy: -160.008 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: 67 Temperature: 0.950000 Total energy: -1717.930155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.930155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.930155 (E_RNA) where: Base-Base interactions energy: -1126.501 where: short stacking energy: -504.446 Base-Backbone interact. energy: -2.185 local terms energy: -589.244834 where: bonds (distance) C4'-P energy: -117.309 bonds (distance) P-C4' energy: -122.540 flat angles C4'-P-C4' energy: -118.947 flat angles P-C4'-P energy: -88.110 tors. eta vs tors. theta energy: -142.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1687.995683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.995683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.995683 (E_RNA) where: Base-Base interactions energy: -1144.085 where: short stacking energy: -489.432 Base-Backbone interact. energy: -0.960 local terms energy: -542.950762 where: bonds (distance) C4'-P energy: -100.826 bonds (distance) P-C4' energy: -109.588 flat angles C4'-P-C4' energy: -120.384 flat angles P-C4'-P energy: -78.691 tors. eta vs tors. theta energy: -133.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1546.930691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.930691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.930691 (E_RNA) where: Base-Base interactions energy: -994.769 where: short stacking energy: -439.379 Base-Backbone interact. energy: -3.322 local terms energy: -548.839353 where: bonds (distance) C4'-P energy: -107.225 bonds (distance) P-C4' energy: -99.947 flat angles C4'-P-C4' energy: -118.948 flat angles P-C4'-P energy: -95.393 tors. eta vs tors. theta energy: -127.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1550.480652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.480652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.480652 (E_RNA) where: Base-Base interactions energy: -1041.929 where: short stacking energy: -437.720 Base-Backbone interact. energy: -0.808 local terms energy: -507.743173 where: bonds (distance) C4'-P energy: -110.234 bonds (distance) P-C4' energy: -95.234 flat angles C4'-P-C4' energy: -116.598 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -125.471 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: 67 Temperature: 1.150000 Total energy: -1499.034546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.034546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.034546 (E_RNA) where: Base-Base interactions energy: -988.420 where: short stacking energy: -474.531 Base-Backbone interact. energy: -1.645 local terms energy: -508.969173 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -99.281 flat angles C4'-P-C4' energy: -108.735 flat angles P-C4'-P energy: -77.390 tors. eta vs tors. theta energy: -123.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1296.022682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.022682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.022682 (E_RNA) where: Base-Base interactions energy: -862.108 where: short stacking energy: -369.047 Base-Backbone interact. energy: 3.071 local terms energy: -436.986056 where: bonds (distance) C4'-P energy: -102.919 bonds (distance) P-C4' energy: -104.807 flat angles C4'-P-C4' energy: -97.384 flat angles P-C4'-P energy: -42.249 tors. eta vs tors. theta energy: -89.627 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: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -962.277344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.277344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.277344 (E_RNA) where: Base-Base interactions energy: -577.174 where: short stacking energy: -271.007 Base-Backbone interact. energy: -1.717 local terms energy: -383.386751 where: bonds (distance) C4'-P energy: -100.318 bonds (distance) P-C4' energy: -92.660 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -42.848 tors. eta vs tors. theta energy: -45.783 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: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -795.536323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.536323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.536323 (E_RNA) where: Base-Base interactions energy: -448.518 where: short stacking energy: -226.938 Base-Backbone interact. energy: 1.965 local terms energy: -348.982883 where: bonds (distance) C4'-P energy: -89.184 bonds (distance) P-C4' energy: -105.518 flat angles C4'-P-C4' energy: -72.712 flat angles P-C4'-P energy: -47.645 tors. eta vs tors. theta energy: -33.924 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: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -489.254712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.254712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.254712 (E_RNA) where: Base-Base interactions energy: -199.883 where: short stacking energy: -136.809 Base-Backbone interact. energy: 5.015 local terms energy: -294.387232 where: bonds (distance) C4'-P energy: -81.537 bonds (distance) P-C4' energy: -99.567 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: 10.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1868.179133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.179133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.179133 (E_RNA) where: Base-Base interactions energy: -1263.769 where: short stacking energy: -551.554 Base-Backbone interact. energy: -1.870 local terms energy: -602.540388 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -110.037 flat angles C4'-P-C4' energy: -132.578 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: -155.316 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: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1725.313090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.313090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.313090 (E_RNA) where: Base-Base interactions energy: -1127.462 where: short stacking energy: -495.237 Base-Backbone interact. energy: -4.862 local terms energy: -592.989488 where: bonds (distance) C4'-P energy: -115.241 bonds (distance) P-C4' energy: -120.651 flat angles C4'-P-C4' energy: -133.464 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -140.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1708.344998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.344998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.344998 (E_RNA) where: Base-Base interactions energy: -1157.696 where: short stacking energy: -485.622 Base-Backbone interact. energy: -0.080 local terms energy: -550.569113 where: bonds (distance) C4'-P energy: -116.282 bonds (distance) P-C4' energy: -109.227 flat angles C4'-P-C4' energy: -116.792 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -131.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1622.928873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.928873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.928873 (E_RNA) where: Base-Base interactions energy: -1088.373 where: short stacking energy: -487.862 Base-Backbone interact. energy: 2.502 local terms energy: -537.058459 where: bonds (distance) C4'-P energy: -102.645 bonds (distance) P-C4' energy: -113.761 flat angles C4'-P-C4' energy: -113.615 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -128.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1565.096109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.096109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.096109 (E_RNA) where: Base-Base interactions energy: -1036.559 where: short stacking energy: -457.836 Base-Backbone interact. energy: 0.338 local terms energy: -528.875340 where: bonds (distance) C4'-P energy: -92.651 bonds (distance) P-C4' energy: -110.173 flat angles C4'-P-C4' energy: -121.136 flat angles P-C4'-P energy: -74.694 tors. eta vs tors. theta energy: -130.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1487.169917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.169917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.169917 (E_RNA) where: Base-Base interactions energy: -997.103 where: short stacking energy: -446.609 Base-Backbone interact. energy: 10.644 local terms energy: -500.711769 where: bonds (distance) C4'-P energy: -91.953 bonds (distance) P-C4' energy: -103.345 flat angles C4'-P-C4' energy: -113.359 flat angles P-C4'-P energy: -73.721 tors. eta vs tors. theta energy: -118.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1314.144613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.144613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.144613 (E_RNA) where: Base-Base interactions energy: -870.610 where: short stacking energy: -389.368 Base-Backbone interact. energy: -2.351 local terms energy: -441.183820 where: bonds (distance) C4'-P energy: -85.611 bonds (distance) P-C4' energy: -100.904 flat angles C4'-P-C4' energy: -101.013 flat angles P-C4'-P energy: -59.302 tors. eta vs tors. theta energy: -94.354 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: 68 Temperature: 1.250000 Total energy: -977.803691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.803691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.803691 (E_RNA) where: Base-Base interactions energy: -573.035 where: short stacking energy: -276.010 Base-Backbone interact. energy: -0.688 local terms energy: -404.081292 where: bonds (distance) C4'-P energy: -81.706 bonds (distance) P-C4' energy: -117.290 flat angles C4'-P-C4' energy: -100.977 flat angles P-C4'-P energy: -56.381 tors. eta vs tors. theta energy: -47.726 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: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -816.226812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.226812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.226812 (E_RNA) where: Base-Base interactions energy: -471.410 where: short stacking energy: -234.566 Base-Backbone interact. energy: 0.767 local terms energy: -345.583273 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -100.734 flat angles C4'-P-C4' energy: -73.729 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: -42.495 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: 68 Temperature: 1.350000 Total energy: -466.191746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.191746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.191746 (E_RNA) where: Base-Base interactions energy: -182.313 where: short stacking energy: -113.572 Base-Backbone interact. energy: 2.800 local terms energy: -286.679598 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -100.168 flat angles C4'-P-C4' energy: -71.809 flat angles P-C4'-P energy: -60.435 tors. eta vs tors. theta energy: 25.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1907.445490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.445490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.445490 (E_RNA) where: Base-Base interactions energy: -1300.477 where: short stacking energy: -576.986 Base-Backbone interact. energy: 1.707 local terms energy: -608.675621 where: bonds (distance) C4'-P energy: -125.902 bonds (distance) P-C4' energy: -112.293 flat angles C4'-P-C4' energy: -123.488 flat angles P-C4'-P energy: -75.903 tors. eta vs tors. theta energy: -171.089 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: 69 Temperature: 0.950000 Total energy: -1749.675249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.675249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.675249 (E_RNA) where: Base-Base interactions energy: -1171.467 where: short stacking energy: -496.531 Base-Backbone interact. energy: -1.368 local terms energy: -576.840150 where: bonds (distance) C4'-P energy: -107.250 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -116.803 flat angles P-C4'-P energy: -84.456 tors. eta vs tors. theta energy: -146.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1669.083466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.083466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.083466 (E_RNA) where: Base-Base interactions energy: -1080.552 where: short stacking energy: -498.138 Base-Backbone interact. energy: -1.511 local terms energy: -587.020894 where: bonds (distance) C4'-P energy: -111.217 bonds (distance) P-C4' energy: -100.153 flat angles C4'-P-C4' energy: -138.657 flat angles P-C4'-P energy: -95.675 tors. eta vs tors. theta energy: -141.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1570.823783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.823783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.823783 (E_RNA) where: Base-Base interactions energy: -1021.488 where: short stacking energy: -459.774 Base-Backbone interact. energy: -2.418 local terms energy: -546.917510 where: bonds (distance) C4'-P energy: -100.661 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -122.518 flat angles P-C4'-P energy: -77.874 tors. eta vs tors. theta energy: -131.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1550.990709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.990709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.990709 (E_RNA) where: Base-Base interactions energy: -1042.294 where: short stacking energy: -458.250 Base-Backbone interact. energy: 1.080 local terms energy: -509.776571 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -95.907 flat angles C4'-P-C4' energy: -119.986 flat angles P-C4'-P energy: -65.187 tors. eta vs tors. theta energy: -122.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1448.194035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.194035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.194035 (E_RNA) where: Base-Base interactions energy: -936.440 where: short stacking energy: -416.801 Base-Backbone interact. energy: -1.780 local terms energy: -509.974481 where: bonds (distance) C4'-P energy: -94.541 bonds (distance) P-C4' energy: -114.526 flat angles C4'-P-C4' energy: -111.230 flat angles P-C4'-P energy: -74.204 tors. eta vs tors. theta energy: -115.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1251.757962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.757962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.757962 (E_RNA) where: Base-Base interactions energy: -828.943 where: short stacking energy: -346.388 Base-Backbone interact. energy: 2.355 local terms energy: -425.169972 where: bonds (distance) C4'-P energy: -98.135 bonds (distance) P-C4' energy: -95.288 flat angles C4'-P-C4' energy: -93.315 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: -75.809 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: 69 Temperature: 1.250000 Total energy: -999.817856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.817856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.817856 (E_RNA) where: Base-Base interactions energy: -568.810 where: short stacking energy: -273.702 Base-Backbone interact. energy: -3.070 local terms energy: -427.938286 where: bonds (distance) C4'-P energy: -100.069 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -94.122 flat angles P-C4'-P energy: -60.374 tors. eta vs tors. theta energy: -47.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -820.149250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.149250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.149250 (E_RNA) where: Base-Base interactions energy: -465.928 where: short stacking energy: -244.625 Base-Backbone interact. energy: 1.440 local terms energy: -355.661957 where: bonds (distance) C4'-P energy: -80.037 bonds (distance) P-C4' energy: -100.427 flat angles C4'-P-C4' energy: -93.740 flat angles P-C4'-P energy: -49.119 tors. eta vs tors. theta energy: -32.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -466.128231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.128231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.128231 (E_RNA) where: Base-Base interactions energy: -190.440 where: short stacking energy: -122.750 Base-Backbone interact. energy: 4.742 local terms energy: -280.430193 where: bonds (distance) C4'-P energy: -111.192 bonds (distance) P-C4' energy: -93.857 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -34.151 tors. eta vs tors. theta energy: 26.966 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: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1875.293371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.293371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.293371 (E_RNA) where: Base-Base interactions energy: -1268.797 where: short stacking energy: -554.918 Base-Backbone interact. energy: -1.748 local terms energy: -604.748079 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -123.634 flat angles C4'-P-C4' energy: -131.948 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: -155.692 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: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1709.390364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.390364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.390364 (E_RNA) where: Base-Base interactions energy: -1128.736 where: short stacking energy: -505.515 Base-Backbone interact. energy: -1.638 local terms energy: -579.016245 where: bonds (distance) C4'-P energy: -113.091 bonds (distance) P-C4' energy: -115.195 flat angles C4'-P-C4' energy: -127.441 flat angles P-C4'-P energy: -82.143 tors. eta vs tors. theta energy: -141.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1647.191498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.191498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.191498 (E_RNA) where: Base-Base interactions energy: -1097.247 where: short stacking energy: -498.749 Base-Backbone interact. energy: -1.229 local terms energy: -548.715847 where: bonds (distance) C4'-P energy: -114.332 bonds (distance) P-C4' energy: -102.280 flat angles C4'-P-C4' energy: -114.913 flat angles P-C4'-P energy: -84.076 tors. eta vs tors. theta energy: -133.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1571.549163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.549163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.549163 (E_RNA) where: Base-Base interactions energy: -1035.938 where: short stacking energy: -471.274 Base-Backbone interact. energy: -0.901 local terms energy: -534.709814 where: bonds (distance) C4'-P energy: -106.250 bonds (distance) P-C4' energy: -100.990 flat angles C4'-P-C4' energy: -123.098 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -129.525 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: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1568.977304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.977304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.977304 (E_RNA) where: Base-Base interactions energy: -1053.908 where: short stacking energy: -458.773 Base-Backbone interact. energy: -1.258 local terms energy: -513.811071 where: bonds (distance) C4'-P energy: -97.915 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -114.331 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -125.528 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: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1439.478218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.478218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.478218 (E_RNA) where: Base-Base interactions energy: -954.430 where: short stacking energy: -421.701 Base-Backbone interact. energy: 0.617 local terms energy: -485.664682 where: bonds (distance) C4'-P energy: -106.073 bonds (distance) P-C4' energy: -100.255 flat angles C4'-P-C4' energy: -102.887 flat angles P-C4'-P energy: -71.097 tors. eta vs tors. theta energy: -105.354 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: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1244.366940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.366940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.366940 (E_RNA) where: Base-Base interactions energy: -781.702 where: short stacking energy: -328.019 Base-Backbone interact. energy: -1.669 local terms energy: -460.996272 where: bonds (distance) C4'-P energy: -84.299 bonds (distance) P-C4' energy: -103.501 flat angles C4'-P-C4' energy: -111.506 flat angles P-C4'-P energy: -79.823 tors. eta vs tors. theta energy: -81.868 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: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -964.041804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.041804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.041804 (E_RNA) where: Base-Base interactions energy: -568.931 where: short stacking energy: -266.687 Base-Backbone interact. energy: -1.458 local terms energy: -393.653074 where: bonds (distance) C4'-P energy: -95.090 bonds (distance) P-C4' energy: -98.019 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -65.353 tors. eta vs tors. theta energy: -28.578 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: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -771.682465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.682465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.682465 (E_RNA) where: Base-Base interactions energy: -418.107 where: short stacking energy: -215.236 Base-Backbone interact. energy: 1.308 local terms energy: -354.883318 where: bonds (distance) C4'-P energy: -103.868 bonds (distance) P-C4' energy: -113.459 flat angles C4'-P-C4' energy: -72.652 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -16.933 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: 70 Temperature: 1.350000 Total energy: -462.083432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.083432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.083432 (E_RNA) where: Base-Base interactions energy: -216.785 where: short stacking energy: -149.948 Base-Backbone interact. energy: 5.640 local terms energy: -250.938055 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -82.175 flat angles C4'-P-C4' energy: -64.674 flat angles P-C4'-P energy: -35.375 tors. eta vs tors. theta energy: 19.888 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: 71 Temperature: 0.900000 Total energy: -1910.395191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.395191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.395191 (E_RNA) where: Base-Base interactions energy: -1291.738 where: short stacking energy: -565.219 Base-Backbone interact. energy: -2.104 local terms energy: -616.553770 where: bonds (distance) C4'-P energy: -123.209 bonds (distance) P-C4' energy: -123.166 flat angles C4'-P-C4' energy: -125.991 flat angles P-C4'-P energy: -74.551 tors. eta vs tors. theta energy: -169.636 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: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1746.308956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.308956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.308956 (E_RNA) where: Base-Base interactions energy: -1190.504 where: short stacking energy: -527.885 Base-Backbone interact. energy: 1.487 local terms energy: -557.292441 where: bonds (distance) C4'-P energy: -101.442 bonds (distance) P-C4' energy: -119.948 flat angles C4'-P-C4' energy: -132.912 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: -134.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1631.948128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.948128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.948128 (E_RNA) where: Base-Base interactions energy: -1083.020 where: short stacking energy: -484.081 Base-Backbone interact. energy: -2.035 local terms energy: -546.892817 where: bonds (distance) C4'-P energy: -91.903 bonds (distance) P-C4' energy: -125.847 flat angles C4'-P-C4' energy: -127.380 flat angles P-C4'-P energy: -73.043 tors. eta vs tors. theta energy: -128.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1615.676908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.676908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.676908 (E_RNA) where: Base-Base interactions energy: -1070.660 where: short stacking energy: -465.795 Base-Backbone interact. energy: 6.006 local terms energy: -551.023500 where: bonds (distance) C4'-P energy: -99.146 bonds (distance) P-C4' energy: -112.839 flat angles C4'-P-C4' energy: -119.691 flat angles P-C4'-P energy: -79.646 tors. eta vs tors. theta energy: -139.702 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: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1515.545949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.545949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.545949 (E_RNA) where: Base-Base interactions energy: -1006.393 where: short stacking energy: -431.621 Base-Backbone interact. energy: -1.935 local terms energy: -507.218177 where: bonds (distance) C4'-P energy: -97.695 bonds (distance) P-C4' energy: -108.309 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -54.776 tors. eta vs tors. theta energy: -131.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1444.149304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.149304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.149304 (E_RNA) where: Base-Base interactions energy: -932.109 where: short stacking energy: -417.014 Base-Backbone interact. energy: -2.202 local terms energy: -509.838757 where: bonds (distance) C4'-P energy: -96.325 bonds (distance) P-C4' energy: -113.575 flat angles C4'-P-C4' energy: -119.778 flat angles P-C4'-P energy: -80.323 tors. eta vs tors. theta energy: -99.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1264.742987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.742987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.742987 (E_RNA) where: Base-Base interactions energy: -806.762 where: short stacking energy: -373.302 Base-Backbone interact. energy: 1.121 local terms energy: -459.101602 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -109.025 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -89.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1070.736537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.736537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.736537 (E_RNA) where: Base-Base interactions energy: -661.277 where: short stacking energy: -325.323 Base-Backbone interact. energy: -3.075 local terms energy: -406.384375 where: bonds (distance) C4'-P energy: -86.395 bonds (distance) P-C4' energy: -91.970 flat angles C4'-P-C4' energy: -104.265 flat angles P-C4'-P energy: -57.698 tors. eta vs tors. theta energy: -66.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -863.814941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.814941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.814941 (E_RNA) where: Base-Base interactions energy: -483.680 where: short stacking energy: -243.176 Base-Backbone interact. energy: -0.445 local terms energy: -379.689766 where: bonds (distance) C4'-P energy: -90.059 bonds (distance) P-C4' energy: -97.971 flat angles C4'-P-C4' energy: -95.970 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: -39.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -464.996828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.996828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.996828 (E_RNA) where: Base-Base interactions energy: -163.300 where: short stacking energy: -149.488 Base-Backbone interact. energy: 2.514 local terms energy: -304.210640 where: bonds (distance) C4'-P energy: -73.759 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -87.999 flat angles P-C4'-P energy: -52.632 tors. eta vs tors. theta energy: 8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1857.109457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.109457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.109457 (E_RNA) where: Base-Base interactions energy: -1246.352 where: short stacking energy: -569.683 Base-Backbone interact. energy: -2.759 local terms energy: -607.998302 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -109.251 flat angles C4'-P-C4' energy: -133.785 flat angles P-C4'-P energy: -76.425 tors. eta vs tors. theta energy: -174.617 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: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1740.636045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.636045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.636045 (E_RNA) where: Base-Base interactions energy: -1167.002 where: short stacking energy: -498.962 Base-Backbone interact. energy: -2.233 local terms energy: -571.400629 where: bonds (distance) C4'-P energy: -113.072 bonds (distance) P-C4' energy: -91.736 flat angles C4'-P-C4' energy: -130.940 flat angles P-C4'-P energy: -96.485 tors. eta vs tors. theta energy: -139.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1694.432953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.432953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.432953 (E_RNA) where: Base-Base interactions energy: -1127.977 where: short stacking energy: -484.383 Base-Backbone interact. energy: 3.737 local terms energy: -570.192661 where: bonds (distance) C4'-P energy: -116.509 bonds (distance) P-C4' energy: -118.991 flat angles C4'-P-C4' energy: -120.349 flat angles P-C4'-P energy: -75.277 tors. eta vs tors. theta energy: -139.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1608.491526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.491526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.491526 (E_RNA) where: Base-Base interactions energy: -1104.770 where: short stacking energy: -486.271 Base-Backbone interact. energy: -4.692 local terms energy: -499.028850 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -84.629 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -69.678 tors. eta vs tors. theta energy: -128.990 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: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1497.708690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.708690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.708690 (E_RNA) where: Base-Base interactions energy: -995.135 where: short stacking energy: -421.021 Base-Backbone interact. energy: -4.094 local terms energy: -498.479826 where: bonds (distance) C4'-P energy: -99.908 bonds (distance) P-C4' energy: -108.834 flat angles C4'-P-C4' energy: -118.832 flat angles P-C4'-P energy: -61.064 tors. eta vs tors. theta energy: -109.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1384.470926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.470926 (E_RNA) where: Base-Base interactions energy: -897.876 where: short stacking energy: -423.744 Base-Backbone interact. energy: 0.793 local terms energy: -487.386976 where: bonds (distance) C4'-P energy: -88.413 bonds (distance) P-C4' energy: -97.452 flat angles C4'-P-C4' energy: -113.255 flat angles P-C4'-P energy: -82.972 tors. eta vs tors. theta energy: -105.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1276.557781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.557781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.557781 (E_RNA) where: Base-Base interactions energy: -804.365 where: short stacking energy: -361.753 Base-Backbone interact. energy: 0.903 local terms energy: -473.095746 where: bonds (distance) C4'-P energy: -111.764 bonds (distance) P-C4' energy: -99.350 flat angles C4'-P-C4' energy: -89.429 flat angles P-C4'-P energy: -79.689 tors. eta vs tors. theta energy: -92.864 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: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1054.666555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.666555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.666555 (E_RNA) where: Base-Base interactions energy: -643.865 where: short stacking energy: -299.986 Base-Backbone interact. energy: 0.353 local terms energy: -411.154164 where: bonds (distance) C4'-P energy: -92.086 bonds (distance) P-C4' energy: -99.707 flat angles C4'-P-C4' energy: -89.019 flat angles P-C4'-P energy: -76.772 tors. eta vs tors. theta energy: -53.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -845.967192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.967192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.967192 (E_RNA) where: Base-Base interactions energy: -505.162 where: short stacking energy: -252.679 Base-Backbone interact. energy: -2.419 local terms energy: -338.386111 where: bonds (distance) C4'-P energy: -88.777 bonds (distance) P-C4' energy: -70.099 flat angles C4'-P-C4' energy: -94.426 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -31.373 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: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -477.002516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.002516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.002516 (E_RNA) where: Base-Base interactions energy: -167.857 where: short stacking energy: -143.376 Base-Backbone interact. energy: -2.328 local terms energy: -306.817702 where: bonds (distance) C4'-P energy: -93.378 bonds (distance) P-C4' energy: -105.963 flat angles C4'-P-C4' energy: -61.515 flat angles P-C4'-P energy: -49.974 tors. eta vs tors. theta energy: 4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1855.060564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.060564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.060564 (E_RNA) where: Base-Base interactions energy: -1258.975 where: short stacking energy: -572.270 Base-Backbone interact. energy: -0.279 local terms energy: -595.806377 where: bonds (distance) C4'-P energy: -114.603 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -127.834 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -166.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1726.989330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.989330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.989330 (E_RNA) where: Base-Base interactions energy: -1159.395 where: short stacking energy: -497.569 Base-Backbone interact. energy: -0.977 local terms energy: -566.617589 where: bonds (distance) C4'-P energy: -115.280 bonds (distance) P-C4' energy: -108.813 flat angles C4'-P-C4' energy: -130.633 flat angles P-C4'-P energy: -81.552 tors. eta vs tors. theta energy: -130.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1718.585379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.585379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.585379 (E_RNA) where: Base-Base interactions energy: -1150.844 where: short stacking energy: -503.532 Base-Backbone interact. energy: -0.405 local terms energy: -567.335985 where: bonds (distance) C4'-P energy: -106.442 bonds (distance) P-C4' energy: -124.472 flat angles C4'-P-C4' energy: -122.729 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -145.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1589.522899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.522899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.522899 (E_RNA) where: Base-Base interactions energy: -1069.199 where: short stacking energy: -454.728 Base-Backbone interact. energy: 1.985 local terms energy: -522.309475 where: bonds (distance) C4'-P energy: -101.209 bonds (distance) P-C4' energy: -108.584 flat angles C4'-P-C4' energy: -120.256 flat angles P-C4'-P energy: -64.246 tors. eta vs tors. theta energy: -128.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1525.099969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.099969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.099969 (E_RNA) where: Base-Base interactions energy: -1025.240 where: short stacking energy: -421.177 Base-Backbone interact. energy: -1.229 local terms energy: -498.630581 where: bonds (distance) C4'-P energy: -91.674 bonds (distance) P-C4' energy: -102.605 flat angles C4'-P-C4' energy: -112.071 flat angles P-C4'-P energy: -84.085 tors. eta vs tors. theta energy: -108.196 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: 73 Temperature: 1.150000 Total energy: -1392.738121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.738121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.738121 (E_RNA) where: Base-Base interactions energy: -898.435 where: short stacking energy: -430.903 Base-Backbone interact. energy: 3.196 local terms energy: -497.499698 where: bonds (distance) C4'-P energy: -98.861 bonds (distance) P-C4' energy: -105.971 flat angles C4'-P-C4' energy: -120.213 flat angles P-C4'-P energy: -65.944 tors. eta vs tors. theta energy: -106.510 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: 73 Temperature: 1.200000 Total energy: -1273.542986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.542986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.542986 (E_RNA) where: Base-Base interactions energy: -830.727 where: short stacking energy: -364.815 Base-Backbone interact. energy: -2.112 local terms energy: -440.704096 where: bonds (distance) C4'-P energy: -99.602 bonds (distance) P-C4' energy: -99.354 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -67.015 tors. eta vs tors. theta energy: -80.987 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: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1028.595947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.595947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.595947 (E_RNA) where: Base-Base interactions energy: -644.644 where: short stacking energy: -287.904 Base-Backbone interact. energy: -0.070 local terms energy: -383.882248 where: bonds (distance) C4'-P energy: -104.994 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -86.648 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -48.185 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: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -797.672400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.672400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.672400 (E_RNA) where: Base-Base interactions energy: -434.460 where: short stacking energy: -213.595 Base-Backbone interact. energy: -2.320 local terms energy: -360.891822 where: bonds (distance) C4'-P energy: -97.650 bonds (distance) P-C4' energy: -116.698 flat angles C4'-P-C4' energy: -82.081 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -13.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -465.190592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.190592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.190592 (E_RNA) where: Base-Base interactions energy: -161.629 where: short stacking energy: -135.352 Base-Backbone interact. energy: 5.382 local terms energy: -308.943954 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -96.014 flat angles C4'-P-C4' energy: -79.678 flat angles P-C4'-P energy: -52.956 tors. eta vs tors. theta energy: 12.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1855.867890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.867890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.867890 (E_RNA) where: Base-Base interactions energy: -1222.931 where: short stacking energy: -556.736 Base-Backbone interact. energy: -2.358 local terms energy: -630.579642 where: bonds (distance) C4'-P energy: -122.603 bonds (distance) P-C4' energy: -122.688 flat angles C4'-P-C4' energy: -138.185 flat angles P-C4'-P energy: -78.306 tors. eta vs tors. theta energy: -168.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1749.610003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.610003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.610003 (E_RNA) where: Base-Base interactions energy: -1167.011 where: short stacking energy: -518.693 Base-Backbone interact. energy: -3.151 local terms energy: -579.447764 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -108.980 flat angles C4'-P-C4' energy: -135.539 flat angles P-C4'-P energy: -77.744 tors. eta vs tors. theta energy: -147.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1737.490873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.490873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.490873 (E_RNA) where: Base-Base interactions energy: -1148.138 where: short stacking energy: -505.039 Base-Backbone interact. energy: -4.100 local terms energy: -585.253388 where: bonds (distance) C4'-P energy: -118.053 bonds (distance) P-C4' energy: -106.271 flat angles C4'-P-C4' energy: -117.865 flat angles P-C4'-P energy: -91.323 tors. eta vs tors. theta energy: -151.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1556.386853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.386853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.386853 (E_RNA) where: Base-Base interactions energy: -1036.085 where: short stacking energy: -442.358 Base-Backbone interact. energy: -0.279 local terms energy: -520.023281 where: bonds (distance) C4'-P energy: -107.827 bonds (distance) P-C4' energy: -108.133 flat angles C4'-P-C4' energy: -125.256 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -106.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1557.235405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.235405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.235405 (E_RNA) where: Base-Base interactions energy: -1035.380 where: short stacking energy: -434.195 Base-Backbone interact. energy: 1.676 local terms energy: -523.531398 where: bonds (distance) C4'-P energy: -117.292 bonds (distance) P-C4' energy: -105.135 flat angles C4'-P-C4' energy: -112.759 flat angles P-C4'-P energy: -72.537 tors. eta vs tors. theta energy: -115.808 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: 74 Temperature: 1.150000 Total energy: -1370.943679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.943679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.943679 (E_RNA) where: Base-Base interactions energy: -860.271 where: short stacking energy: -408.405 Base-Backbone interact. energy: -0.368 local terms energy: -510.304325 where: bonds (distance) C4'-P energy: -102.742 bonds (distance) P-C4' energy: -102.351 flat angles C4'-P-C4' energy: -115.124 flat angles P-C4'-P energy: -81.021 tors. eta vs tors. theta energy: -109.067 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: 74 Temperature: 1.200000 Total energy: -1255.831935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.831935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.831935 (E_RNA) where: Base-Base interactions energy: -803.287 where: short stacking energy: -374.897 Base-Backbone interact. energy: -0.313 local terms energy: -452.232715 where: bonds (distance) C4'-P energy: -89.956 bonds (distance) P-C4' energy: -109.477 flat angles C4'-P-C4' energy: -104.341 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -83.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1012.707799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.707799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.707799 (E_RNA) where: Base-Base interactions energy: -608.094 where: short stacking energy: -288.052 Base-Backbone interact. energy: -1.498 local terms energy: -403.115967 where: bonds (distance) C4'-P energy: -91.701 bonds (distance) P-C4' energy: -105.491 flat angles C4'-P-C4' energy: -100.455 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: -43.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -774.500302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.500302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.500302 (E_RNA) where: Base-Base interactions energy: -446.847 where: short stacking energy: -222.791 Base-Backbone interact. energy: 1.951 local terms energy: -329.604877 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -75.208 flat angles P-C4'-P energy: -58.399 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -464.069586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.069586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.069586 (E_RNA) where: Base-Base interactions energy: -144.163 where: short stacking energy: -126.553 Base-Backbone interact. energy: 3.666 local terms energy: -323.571983 where: bonds (distance) C4'-P energy: -93.546 bonds (distance) P-C4' energy: -113.819 flat angles C4'-P-C4' energy: -74.778 flat angles P-C4'-P energy: -57.530 tors. eta vs tors. theta energy: 16.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1858.571724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.571724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.571724 (E_RNA) where: Base-Base interactions energy: -1232.166 where: short stacking energy: -577.335 Base-Backbone interact. energy: -4.383 local terms energy: -622.022158 where: bonds (distance) C4'-P energy: -111.328 bonds (distance) P-C4' energy: -121.549 flat angles C4'-P-C4' energy: -133.707 flat angles P-C4'-P energy: -81.271 tors. eta vs tors. theta energy: -174.167 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: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1749.346396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.346396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.346396 (E_RNA) where: Base-Base interactions energy: -1153.908 where: short stacking energy: -486.497 Base-Backbone interact. energy: -7.096 local terms energy: -588.342264 where: bonds (distance) C4'-P energy: -117.370 bonds (distance) P-C4' energy: -114.941 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -81.708 tors. eta vs tors. theta energy: -140.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1737.873790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.873790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.873790 (E_RNA) where: Base-Base interactions energy: -1185.548 where: short stacking energy: -512.815 Base-Backbone interact. energy: 2.799 local terms energy: -555.124453 where: bonds (distance) C4'-P energy: -96.064 bonds (distance) P-C4' energy: -120.224 flat angles C4'-P-C4' energy: -113.703 flat angles P-C4'-P energy: -77.901 tors. eta vs tors. theta energy: -147.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1542.474634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.474634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.474634 (E_RNA) where: Base-Base interactions energy: -1021.916 where: short stacking energy: -437.152 Base-Backbone interact. energy: -3.353 local terms energy: -517.206326 where: bonds (distance) C4'-P energy: -100.482 bonds (distance) P-C4' energy: -109.547 flat angles C4'-P-C4' energy: -120.305 flat angles P-C4'-P energy: -77.652 tors. eta vs tors. theta energy: -109.220 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: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1482.748732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.748732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.748732 (E_RNA) where: Base-Base interactions energy: -966.311 where: short stacking energy: -421.371 Base-Backbone interact. energy: 0.423 local terms energy: -516.860989 where: bonds (distance) C4'-P energy: -94.321 bonds (distance) P-C4' energy: -114.352 flat angles C4'-P-C4' energy: -118.711 flat angles P-C4'-P energy: -77.524 tors. eta vs tors. theta energy: -111.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1364.750142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.750142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.750142 (E_RNA) where: Base-Base interactions energy: -863.421 where: short stacking energy: -400.418 Base-Backbone interact. energy: -1.894 local terms energy: -499.434690 where: bonds (distance) C4'-P energy: -112.506 bonds (distance) P-C4' energy: -115.755 flat angles C4'-P-C4' energy: -107.650 flat angles P-C4'-P energy: -66.909 tors. eta vs tors. theta energy: -96.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1288.190642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.190642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.190642 (E_RNA) where: Base-Base interactions energy: -843.040 where: short stacking energy: -359.770 Base-Backbone interact. energy: 2.535 local terms energy: -447.684977 where: bonds (distance) C4'-P energy: -93.351 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -100.065 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -92.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1082.187668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.187668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.187668 (E_RNA) where: Base-Base interactions energy: -665.316 where: short stacking energy: -312.480 Base-Backbone interact. energy: 3.963 local terms energy: -420.834647 where: bonds (distance) C4'-P energy: -101.466 bonds (distance) P-C4' energy: -94.508 flat angles C4'-P-C4' energy: -104.293 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: -56.457 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: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -834.948490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.948490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.948490 (E_RNA) where: Base-Base interactions energy: -459.736 where: short stacking energy: -235.214 Base-Backbone interact. energy: -0.668 local terms energy: -374.544121 where: bonds (distance) C4'-P energy: -100.884 bonds (distance) P-C4' energy: -103.700 flat angles C4'-P-C4' energy: -88.588 flat angles P-C4'-P energy: -57.549 tors. eta vs tors. theta energy: -23.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -501.841226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.841226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.841226 (E_RNA) where: Base-Base interactions energy: -206.923 where: short stacking energy: -136.692 Base-Backbone interact. energy: -4.281 local terms energy: -290.638077 where: bonds (distance) C4'-P energy: -80.574 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -75.200 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: 10.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1876.491031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.491031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.491031 (E_RNA) where: Base-Base interactions energy: -1271.671 where: short stacking energy: -573.093 Base-Backbone interact. energy: -1.905 local terms energy: -602.914949 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -117.512 flat angles C4'-P-C4' energy: -120.445 flat angles P-C4'-P energy: -79.841 tors. eta vs tors. theta energy: -166.278 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: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1742.232206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.232206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.232206 (E_RNA) where: Base-Base interactions energy: -1163.625 where: short stacking energy: -514.698 Base-Backbone interact. energy: -5.303 local terms energy: -573.304458 where: bonds (distance) C4'-P energy: -101.555 bonds (distance) P-C4' energy: -119.349 flat angles C4'-P-C4' energy: -137.086 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -137.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1757.868291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.868291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.868291 (E_RNA) where: Base-Base interactions energy: -1195.320 where: short stacking energy: -520.245 Base-Backbone interact. energy: -1.228 local terms energy: -561.319413 where: bonds (distance) C4'-P energy: -107.531 bonds (distance) P-C4' energy: -92.283 flat angles C4'-P-C4' energy: -126.691 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: -151.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1526.550825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.550825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.550825 (E_RNA) where: Base-Base interactions energy: -995.499 where: short stacking energy: -451.240 Base-Backbone interact. energy: 9.340 local terms energy: -540.392301 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -126.412 flat angles C4'-P-C4' energy: -113.757 flat angles P-C4'-P energy: -76.592 tors. eta vs tors. theta energy: -121.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1458.947595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.947595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.947595 (E_RNA) where: Base-Base interactions energy: -979.874 where: short stacking energy: -431.699 Base-Backbone interact. energy: 7.085 local terms energy: -486.158484 where: bonds (distance) C4'-P energy: -82.923 bonds (distance) P-C4' energy: -96.444 flat angles C4'-P-C4' energy: -111.640 flat angles P-C4'-P energy: -82.883 tors. eta vs tors. theta energy: -112.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1372.792472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.792472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.792472 (E_RNA) where: Base-Base interactions energy: -874.907 where: short stacking energy: -428.498 Base-Backbone interact. energy: -0.318 local terms energy: -497.567426 where: bonds (distance) C4'-P energy: -87.198 bonds (distance) P-C4' energy: -97.552 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -122.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1325.135345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.135345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.135345 (E_RNA) where: Base-Base interactions energy: -856.705 where: short stacking energy: -387.233 Base-Backbone interact. energy: -3.099 local terms energy: -465.331290 where: bonds (distance) C4'-P energy: -94.137 bonds (distance) P-C4' energy: -112.278 flat angles C4'-P-C4' energy: -93.778 flat angles P-C4'-P energy: -70.900 tors. eta vs tors. theta energy: -94.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1039.680063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.680063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.680063 (E_RNA) where: Base-Base interactions energy: -646.596 where: short stacking energy: -297.892 Base-Backbone interact. energy: 2.215 local terms energy: -395.299501 where: bonds (distance) C4'-P energy: -84.264 bonds (distance) P-C4' energy: -97.958 flat angles C4'-P-C4' energy: -104.379 flat angles P-C4'-P energy: -53.972 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: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -817.112276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.112276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.112276 (E_RNA) where: Base-Base interactions energy: -427.921 where: short stacking energy: -222.689 Base-Backbone interact. energy: -2.660 local terms energy: -386.530869 where: bonds (distance) C4'-P energy: -115.612 bonds (distance) P-C4' energy: -96.709 flat angles C4'-P-C4' energy: -104.970 flat angles P-C4'-P energy: -31.244 tors. eta vs tors. theta energy: -37.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -443.927437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.927437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.927437 (E_RNA) where: Base-Base interactions energy: -160.088 where: short stacking energy: -138.152 Base-Backbone interact. energy: -2.901 local terms energy: -280.938989 where: bonds (distance) C4'-P energy: -75.678 bonds (distance) P-C4' energy: -88.257 flat angles C4'-P-C4' energy: -89.011 flat angles P-C4'-P energy: -54.988 tors. eta vs tors. theta energy: 26.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1859.036113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.036113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.036113 (E_RNA) where: Base-Base interactions energy: -1254.397 where: short stacking energy: -543.746 Base-Backbone interact. energy: -2.529 local terms energy: -602.110089 where: bonds (distance) C4'-P energy: -111.999 bonds (distance) P-C4' energy: -124.130 flat angles C4'-P-C4' energy: -126.316 flat angles P-C4'-P energy: -78.618 tors. eta vs tors. theta energy: -161.046 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: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1783.529834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.529834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.529834 (E_RNA) where: Base-Base interactions energy: -1190.922 where: short stacking energy: -516.540 Base-Backbone interact. energy: -2.999 local terms energy: -589.609163 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -119.401 flat angles C4'-P-C4' energy: -117.932 flat angles P-C4'-P energy: -91.594 tors. eta vs tors. theta energy: -150.326 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: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1668.646231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.646231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.646231 (E_RNA) where: Base-Base interactions energy: -1133.256 where: short stacking energy: -484.832 Base-Backbone interact. energy: -3.250 local terms energy: -532.140190 where: bonds (distance) C4'-P energy: -111.164 bonds (distance) P-C4' energy: -112.664 flat angles C4'-P-C4' energy: -121.760 flat angles P-C4'-P energy: -60.767 tors. eta vs tors. theta energy: -125.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1564.824416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.824416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.824416 (E_RNA) where: Base-Base interactions energy: -1030.598 where: short stacking energy: -479.596 Base-Backbone interact. energy: -4.328 local terms energy: -529.899068 where: bonds (distance) C4'-P energy: -114.946 bonds (distance) P-C4' energy: -98.195 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -72.005 tors. eta vs tors. theta energy: -132.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1464.808468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.808468 (E_RNA) where: Base-Base interactions energy: -947.589 where: short stacking energy: -433.072 Base-Backbone interact. energy: -1.905 local terms energy: -515.314304 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -114.323 flat angles C4'-P-C4' energy: -124.926 flat angles P-C4'-P energy: -73.330 tors. eta vs tors. theta energy: -110.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1395.747317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.747317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.747317 (E_RNA) where: Base-Base interactions energy: -912.679 where: short stacking energy: -421.267 Base-Backbone interact. energy: 1.584 local terms energy: -484.652214 where: bonds (distance) C4'-P energy: -103.351 bonds (distance) P-C4' energy: -109.084 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: -99.581 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: 77 Temperature: 1.200000 Total energy: -1285.398713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.398713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.398713 (E_RNA) where: Base-Base interactions energy: -843.275 where: short stacking energy: -408.690 Base-Backbone interact. energy: 1.635 local terms energy: -443.758587 where: bonds (distance) C4'-P energy: -100.582 bonds (distance) P-C4' energy: -89.186 flat angles C4'-P-C4' energy: -107.657 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -98.006 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: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1044.617095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.617095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.617095 (E_RNA) where: Base-Base interactions energy: -664.995 where: short stacking energy: -281.514 Base-Backbone interact. energy: -1.979 local terms energy: -377.643150 where: bonds (distance) C4'-P energy: -86.935 bonds (distance) P-C4' energy: -89.816 flat angles C4'-P-C4' energy: -90.645 flat angles P-C4'-P energy: -53.614 tors. eta vs tors. theta energy: -56.633 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: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -787.502771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.502771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.502771 (E_RNA) where: Base-Base interactions energy: -421.495 where: short stacking energy: -213.292 Base-Backbone interact. energy: 0.507 local terms energy: -366.514927 where: bonds (distance) C4'-P energy: -87.505 bonds (distance) P-C4' energy: -102.725 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -68.201 tors. eta vs tors. theta energy: -17.040 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: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -472.350964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.350964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.350964 (E_RNA) where: Base-Base interactions energy: -175.576 where: short stacking energy: -146.104 Base-Backbone interact. energy: -0.596 local terms energy: -296.179646 where: bonds (distance) C4'-P energy: -95.247 bonds (distance) P-C4' energy: -93.090 flat angles C4'-P-C4' energy: -89.100 flat angles P-C4'-P energy: -34.540 tors. eta vs tors. theta energy: 15.797 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: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1859.789743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.789743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.789743 (E_RNA) where: Base-Base interactions energy: -1250.940 where: short stacking energy: -557.931 Base-Backbone interact. energy: -2.272 local terms energy: -606.577270 where: bonds (distance) C4'-P energy: -110.777 bonds (distance) P-C4' energy: -114.271 flat angles C4'-P-C4' energy: -129.690 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -176.410 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: 2 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1817.677489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.677489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.677489 (E_RNA) where: Base-Base interactions energy: -1230.851 where: short stacking energy: -546.720 Base-Backbone interact. energy: -0.833 local terms energy: -585.994335 where: bonds (distance) C4'-P energy: -108.698 bonds (distance) P-C4' energy: -103.068 flat angles C4'-P-C4' energy: -128.509 flat angles P-C4'-P energy: -85.425 tors. eta vs tors. theta energy: -160.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1654.748905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.748905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.748905 (E_RNA) where: Base-Base interactions energy: -1114.208 where: short stacking energy: -465.267 Base-Backbone interact. energy: -1.888 local terms energy: -538.653259 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -116.759 flat angles C4'-P-C4' energy: -120.453 flat angles P-C4'-P energy: -71.174 tors. eta vs tors. theta energy: -118.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1592.057724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.057724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.057724 (E_RNA) where: Base-Base interactions energy: -1076.054 where: short stacking energy: -500.124 Base-Backbone interact. energy: -2.243 local terms energy: -513.761126 where: bonds (distance) C4'-P energy: -101.864 bonds (distance) P-C4' energy: -106.135 flat angles C4'-P-C4' energy: -119.665 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: -119.414 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: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1454.178759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.178759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.178759 (E_RNA) where: Base-Base interactions energy: -939.464 where: short stacking energy: -429.665 Base-Backbone interact. energy: -3.071 local terms energy: -511.643949 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -111.304 flat angles C4'-P-C4' energy: -109.244 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -121.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1323.878274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.878274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.878274 (E_RNA) where: Base-Base interactions energy: -873.743 where: short stacking energy: -404.327 Base-Backbone interact. energy: -1.794 local terms energy: -448.341966 where: bonds (distance) C4'-P energy: -85.370 bonds (distance) P-C4' energy: -105.528 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -59.821 tors. eta vs tors. theta energy: -85.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1314.008057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.008057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.008057 (E_RNA) where: Base-Base interactions energy: -842.157 where: short stacking energy: -388.616 Base-Backbone interact. energy: -0.080 local terms energy: -471.771451 where: bonds (distance) C4'-P energy: -108.456 bonds (distance) P-C4' energy: -103.357 flat angles C4'-P-C4' energy: -111.849 flat angles P-C4'-P energy: -59.331 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: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1011.523528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.523528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.523528 (E_RNA) where: Base-Base interactions energy: -644.801 where: short stacking energy: -285.568 Base-Backbone interact. energy: -5.127 local terms energy: -361.595718 where: bonds (distance) C4'-P energy: -70.526 bonds (distance) P-C4' energy: -98.875 flat angles C4'-P-C4' energy: -85.380 flat angles P-C4'-P energy: -64.419 tors. eta vs tors. theta energy: -42.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -716.207829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.207829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.207829 (E_RNA) where: Base-Base interactions energy: -354.244 where: short stacking energy: -188.396 Base-Backbone interact. energy: -0.115 local terms energy: -361.848356 where: bonds (distance) C4'-P energy: -89.241 bonds (distance) P-C4' energy: -112.053 flat angles C4'-P-C4' energy: -88.332 flat angles P-C4'-P energy: -58.358 tors. eta vs tors. theta energy: -13.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -456.963690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.963690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.963690 (E_RNA) where: Base-Base interactions energy: -183.288 where: short stacking energy: -152.342 Base-Backbone interact. energy: 5.095 local terms energy: -278.770950 where: bonds (distance) C4'-P energy: -88.374 bonds (distance) P-C4' energy: -94.034 flat angles C4'-P-C4' energy: -61.400 flat angles P-C4'-P energy: -48.618 tors. eta vs tors. theta energy: 13.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1825.729005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.729005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.729005 (E_RNA) where: Base-Base interactions energy: -1215.368 where: short stacking energy: -556.470 Base-Backbone interact. energy: -1.215 local terms energy: -609.146103 where: bonds (distance) C4'-P energy: -128.075 bonds (distance) P-C4' energy: -121.208 flat angles C4'-P-C4' energy: -132.818 flat angles P-C4'-P energy: -70.038 tors. eta vs tors. theta energy: -157.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1782.577313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.577313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.577313 (E_RNA) where: Base-Base interactions energy: -1201.663 where: short stacking energy: -536.961 Base-Backbone interact. energy: -3.066 local terms energy: -577.848323 where: bonds (distance) C4'-P energy: -111.485 bonds (distance) P-C4' energy: -109.268 flat angles C4'-P-C4' energy: -125.357 flat angles P-C4'-P energy: -75.447 tors. eta vs tors. theta energy: -156.292 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: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1666.968826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.968826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.968826 (E_RNA) where: Base-Base interactions energy: -1134.178 where: short stacking energy: -469.005 Base-Backbone interact. energy: -1.125 local terms energy: -531.665655 where: bonds (distance) C4'-P energy: -108.894 bonds (distance) P-C4' energy: -107.094 flat angles C4'-P-C4' energy: -117.245 flat angles P-C4'-P energy: -78.724 tors. eta vs tors. theta energy: -119.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1552.411864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.411864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.411864 (E_RNA) where: Base-Base interactions energy: -1036.004 where: short stacking energy: -449.219 Base-Backbone interact. energy: 0.583 local terms energy: -516.990642 where: bonds (distance) C4'-P energy: -100.713 bonds (distance) P-C4' energy: -102.299 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -89.954 tors. eta vs tors. theta energy: -109.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1480.924255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.924255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.924255 (E_RNA) where: Base-Base interactions energy: -974.595 where: short stacking energy: -418.394 Base-Backbone interact. energy: -1.130 local terms energy: -505.200238 where: bonds (distance) C4'-P energy: -100.928 bonds (distance) P-C4' energy: -102.979 flat angles C4'-P-C4' energy: -109.055 flat angles P-C4'-P energy: -78.660 tors. eta vs tors. theta energy: -113.577 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: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1353.812721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.812721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.812721 (E_RNA) where: Base-Base interactions energy: -859.582 where: short stacking energy: -403.427 Base-Backbone interact. energy: -2.828 local terms energy: -491.402683 where: bonds (distance) C4'-P energy: -109.865 bonds (distance) P-C4' energy: -104.298 flat angles C4'-P-C4' energy: -103.540 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -104.482 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1369.755102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.755102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.755102 (E_RNA) where: Base-Base interactions energy: -883.407 where: short stacking energy: -398.702 Base-Backbone interact. energy: 1.141 local terms energy: -487.489330 where: bonds (distance) C4'-P energy: -97.105 bonds (distance) P-C4' energy: -97.373 flat angles C4'-P-C4' energy: -104.820 flat angles P-C4'-P energy: -82.470 tors. eta vs tors. theta energy: -105.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1013.156931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.156931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.156931 (E_RNA) where: Base-Base interactions energy: -609.154 where: short stacking energy: -263.652 Base-Backbone interact. energy: 1.984 local terms energy: -405.986976 where: bonds (distance) C4'-P energy: -85.607 bonds (distance) P-C4' energy: -109.853 flat angles C4'-P-C4' energy: -105.519 flat angles P-C4'-P energy: -66.018 tors. eta vs tors. theta energy: -38.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -756.191871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.191871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.191871 (E_RNA) where: Base-Base interactions energy: -414.231 where: short stacking energy: -228.256 Base-Backbone interact. energy: -1.685 local terms energy: -340.275650 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -84.154 flat angles C4'-P-C4' energy: -91.774 flat angles P-C4'-P energy: -55.399 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -449.669915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.669915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.669915 (E_RNA) where: Base-Base interactions energy: -149.410 where: short stacking energy: -114.886 Base-Backbone interact. energy: 2.565 local terms energy: -302.823965 where: bonds (distance) C4'-P energy: -95.134 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -90.776 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: 20.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1859.499850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.499850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.499850 (E_RNA) where: Base-Base interactions energy: -1244.968 where: short stacking energy: -562.894 Base-Backbone interact. energy: -2.838 local terms energy: -611.693627 where: bonds (distance) C4'-P energy: -115.673 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -134.992 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -162.537 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: 2, replica: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1808.055065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.055065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.055065 (E_RNA) where: Base-Base interactions energy: -1219.249 where: short stacking energy: -536.437 Base-Backbone interact. energy: -1.599 local terms energy: -587.207015 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -119.627 flat angles C4'-P-C4' energy: -128.651 flat angles P-C4'-P energy: -68.532 tors. eta vs tors. theta energy: -164.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1691.627461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.627461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.627461 (E_RNA) where: Base-Base interactions energy: -1163.447 where: short stacking energy: -490.857 Base-Backbone interact. energy: 1.625 local terms energy: -529.805135 where: bonds (distance) C4'-P energy: -105.257 bonds (distance) P-C4' energy: -93.073 flat angles C4'-P-C4' energy: -124.600 flat angles P-C4'-P energy: -82.081 tors. eta vs tors. theta energy: -124.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1551.052381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.052381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.052381 (E_RNA) where: Base-Base interactions energy: -1065.642 where: short stacking energy: -436.789 Base-Backbone interact. energy: -5.897 local terms energy: -479.513399 where: bonds (distance) C4'-P energy: -99.696 bonds (distance) P-C4' energy: -104.510 flat angles C4'-P-C4' energy: -107.029 flat angles P-C4'-P energy: -62.943 tors. eta vs tors. theta energy: -105.334 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: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1462.863256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.863256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.863256 (E_RNA) where: Base-Base interactions energy: -973.058 where: short stacking energy: -404.934 Base-Backbone interact. energy: -1.542 local terms energy: -488.262925 where: bonds (distance) C4'-P energy: -105.621 bonds (distance) P-C4' energy: -106.808 flat angles C4'-P-C4' energy: -108.008 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -104.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1399.658753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.658753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.658753 (E_RNA) where: Base-Base interactions energy: -942.877 where: short stacking energy: -411.640 Base-Backbone interact. energy: -0.693 local terms energy: -456.088039 where: bonds (distance) C4'-P energy: -97.156 bonds (distance) P-C4' energy: -94.336 flat angles C4'-P-C4' energy: -110.980 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -101.420 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: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1351.932967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.932967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.932967 (E_RNA) where: Base-Base interactions energy: -879.765 where: short stacking energy: -399.653 Base-Backbone interact. energy: -2.459 local terms energy: -469.709362 where: bonds (distance) C4'-P energy: -90.349 bonds (distance) P-C4' energy: -104.363 flat angles C4'-P-C4' energy: -111.084 flat angles P-C4'-P energy: -69.278 tors. eta vs tors. theta energy: -94.634 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: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1008.980314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.980314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.980314 (E_RNA) where: Base-Base interactions energy: -614.609 where: short stacking energy: -256.400 Base-Backbone interact. energy: 1.052 local terms energy: -395.423403 where: bonds (distance) C4'-P energy: -100.944 bonds (distance) P-C4' energy: -113.911 flat angles C4'-P-C4' energy: -106.279 flat angles P-C4'-P energy: -47.622 tors. eta vs tors. theta energy: -26.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -769.739818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.739818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.739818 (E_RNA) where: Base-Base interactions energy: -414.340 where: short stacking energy: -211.896 Base-Backbone interact. energy: -1.411 local terms energy: -353.988996 where: bonds (distance) C4'-P energy: -102.164 bonds (distance) P-C4' energy: -89.573 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -465.891299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.891299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.891299 (E_RNA) where: Base-Base interactions energy: -159.864 where: short stacking energy: -131.165 Base-Backbone interact. energy: 0.846 local terms energy: -306.873377 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -107.808 flat angles C4'-P-C4' energy: -72.111 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: 21.567 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: 81 Temperature: 0.900000 Total energy: -1859.017134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.017134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.017134 (E_RNA) where: Base-Base interactions energy: -1277.128 where: short stacking energy: -576.595 Base-Backbone interact. energy: -1.031 local terms energy: -580.858101 where: bonds (distance) C4'-P energy: -109.435 bonds (distance) P-C4' energy: -122.252 flat angles C4'-P-C4' energy: -113.775 flat angles P-C4'-P energy: -72.016 tors. eta vs tors. theta energy: -163.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1822.932641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.932641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.932641 (E_RNA) where: Base-Base interactions energy: -1238.964 where: short stacking energy: -544.835 Base-Backbone interact. energy: -0.358 local terms energy: -583.611151 where: bonds (distance) C4'-P energy: -109.263 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -117.914 flat angles P-C4'-P energy: -92.347 tors. eta vs tors. theta energy: -154.968 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: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1713.895600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.895600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.895600 (E_RNA) where: Base-Base interactions energy: -1177.868 where: short stacking energy: -489.955 Base-Backbone interact. energy: -0.884 local terms energy: -535.143780 where: bonds (distance) C4'-P energy: -104.721 bonds (distance) P-C4' energy: -106.002 flat angles C4'-P-C4' energy: -128.323 flat angles P-C4'-P energy: -70.750 tors. eta vs tors. theta energy: -125.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1586.809801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.809801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.809801 (E_RNA) where: Base-Base interactions energy: -1065.845 where: short stacking energy: -456.208 Base-Backbone interact. energy: -5.975 local terms energy: -514.989026 where: bonds (distance) C4'-P energy: -102.364 bonds (distance) P-C4' energy: -115.269 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -69.508 tors. eta vs tors. theta energy: -113.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1491.204818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.204818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.204818 (E_RNA) where: Base-Base interactions energy: -994.088 where: short stacking energy: -422.314 Base-Backbone interact. energy: 0.695 local terms energy: -497.811439 where: bonds (distance) C4'-P energy: -101.031 bonds (distance) P-C4' energy: -112.533 flat angles C4'-P-C4' energy: -117.610 flat angles P-C4'-P energy: -59.606 tors. eta vs tors. theta energy: -107.032 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: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1417.439109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.439109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.439109 (E_RNA) where: Base-Base interactions energy: -936.396 where: short stacking energy: -444.125 Base-Backbone interact. energy: -1.840 local terms energy: -479.202696 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -105.022 flat angles C4'-P-C4' energy: -107.882 flat angles P-C4'-P energy: -50.086 tors. eta vs tors. theta energy: -113.482 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: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1341.749404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.749404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.749404 (E_RNA) where: Base-Base interactions energy: -870.535 where: short stacking energy: -382.675 Base-Backbone interact. energy: -2.870 local terms energy: -468.344650 where: bonds (distance) C4'-P energy: -88.770 bonds (distance) P-C4' energy: -101.211 flat angles C4'-P-C4' energy: -116.733 flat angles P-C4'-P energy: -67.625 tors. eta vs tors. theta energy: -94.006 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: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -979.423397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.423397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.423397 (E_RNA) where: Base-Base interactions energy: -584.117 where: short stacking energy: -291.564 Base-Backbone interact. energy: -0.551 local terms energy: -394.754643 where: bonds (distance) C4'-P energy: -101.571 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -88.681 flat angles P-C4'-P energy: -60.210 tors. eta vs tors. theta energy: -54.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -780.862846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.862846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.862846 (E_RNA) where: Base-Base interactions energy: -445.598 where: short stacking energy: -232.083 Base-Backbone interact. energy: -0.150 local terms energy: -335.115022 where: bonds (distance) C4'-P energy: -90.044 bonds (distance) P-C4' energy: -87.397 flat angles C4'-P-C4' energy: -73.470 flat angles P-C4'-P energy: -57.977 tors. eta vs tors. theta energy: -26.227 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: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -521.223935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.223935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.223935 (E_RNA) where: Base-Base interactions energy: -196.941 where: short stacking energy: -152.770 Base-Backbone interact. energy: -0.985 local terms energy: -323.297728 where: bonds (distance) C4'-P energy: -92.440 bonds (distance) P-C4' energy: -104.022 flat angles C4'-P-C4' energy: -74.640 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1894.995649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.995649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.995649 (E_RNA) where: Base-Base interactions energy: -1282.974 where: short stacking energy: -571.269 Base-Backbone interact. energy: -0.129 local terms energy: -611.892153 where: bonds (distance) C4'-P energy: -129.192 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -128.419 flat angles P-C4'-P energy: -69.939 tors. eta vs tors. theta energy: -167.942 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: 82 Temperature: 0.950000 Total energy: -1851.505684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.505684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.505684 (E_RNA) where: Base-Base interactions energy: -1251.704 where: short stacking energy: -539.636 Base-Backbone interact. energy: -3.447 local terms energy: -596.354380 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -109.630 flat angles C4'-P-C4' energy: -117.391 flat angles P-C4'-P energy: -85.095 tors. eta vs tors. theta energy: -166.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1727.601875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.601875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.601875 (E_RNA) where: Base-Base interactions energy: -1169.531 where: short stacking energy: -504.415 Base-Backbone interact. energy: -3.597 local terms energy: -554.473755 where: bonds (distance) C4'-P energy: -99.037 bonds (distance) P-C4' energy: -110.654 flat angles C4'-P-C4' energy: -119.031 flat angles P-C4'-P energy: -81.953 tors. eta vs tors. theta energy: -143.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1598.386107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.386107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.386107 (E_RNA) where: Base-Base interactions energy: -1057.309 where: short stacking energy: -467.670 Base-Backbone interact. energy: 2.524 local terms energy: -543.600684 where: bonds (distance) C4'-P energy: -100.521 bonds (distance) P-C4' energy: -115.915 flat angles C4'-P-C4' energy: -113.570 flat angles P-C4'-P energy: -82.174 tors. eta vs tors. theta energy: -131.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1487.682385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.682385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.682385 (E_RNA) where: Base-Base interactions energy: -975.735 where: short stacking energy: -429.717 Base-Backbone interact. energy: -1.675 local terms energy: -510.272586 where: bonds (distance) C4'-P energy: -107.218 bonds (distance) P-C4' energy: -108.619 flat angles C4'-P-C4' energy: -121.125 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -111.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1366.272017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.272017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.272017 (E_RNA) where: Base-Base interactions energy: -905.012 where: short stacking energy: -397.515 Base-Backbone interact. energy: -1.823 local terms energy: -459.437400 where: bonds (distance) C4'-P energy: -94.140 bonds (distance) P-C4' energy: -89.775 flat angles C4'-P-C4' energy: -114.592 flat angles P-C4'-P energy: -55.928 tors. eta vs tors. theta energy: -105.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1354.763881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.763881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.763881 (E_RNA) where: Base-Base interactions energy: -898.441 where: short stacking energy: -416.755 Base-Backbone interact. energy: -1.941 local terms energy: -454.381593 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -86.593 flat angles C4'-P-C4' energy: -106.199 flat angles P-C4'-P energy: -65.392 tors. eta vs tors. theta energy: -92.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1011.071344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.071344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.071344 (E_RNA) where: Base-Base interactions energy: -598.266 where: short stacking energy: -306.449 Base-Backbone interact. energy: 3.828 local terms energy: -416.633799 where: bonds (distance) C4'-P energy: -98.177 bonds (distance) P-C4' energy: -97.526 flat angles C4'-P-C4' energy: -88.451 flat angles P-C4'-P energy: -62.989 tors. eta vs tors. theta energy: -69.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -819.489307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.489307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.489307 (E_RNA) where: Base-Base interactions energy: -460.810 where: short stacking energy: -255.950 Base-Backbone interact. energy: -2.869 local terms energy: -355.810161 where: bonds (distance) C4'-P energy: -77.085 bonds (distance) P-C4' energy: -96.281 flat angles C4'-P-C4' energy: -93.397 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: -29.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -523.753606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.753606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.753606 (E_RNA) where: Base-Base interactions energy: -227.957 where: short stacking energy: -134.406 Base-Backbone interact. energy: 7.567 local terms energy: -303.363292 where: bonds (distance) C4'-P energy: -92.438 bonds (distance) P-C4' energy: -119.331 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -46.666 tors. eta vs tors. theta energy: 30.346 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: 83 Temperature: 0.900000 Total energy: -1879.746141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.746141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.746141 (E_RNA) where: Base-Base interactions energy: -1285.151 where: short stacking energy: -551.776 Base-Backbone interact. energy: -3.665 local terms energy: -590.929831 where: bonds (distance) C4'-P energy: -110.611 bonds (distance) P-C4' energy: -109.934 flat angles C4'-P-C4' energy: -126.177 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -173.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1848.394718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.394718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.394718 (E_RNA) where: Base-Base interactions energy: -1233.864 where: short stacking energy: -551.151 Base-Backbone interact. energy: -4.131 local terms energy: -610.400291 where: bonds (distance) C4'-P energy: -113.231 bonds (distance) P-C4' energy: -108.149 flat angles C4'-P-C4' energy: -129.044 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -171.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1728.098678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.098678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.098678 (E_RNA) where: Base-Base interactions energy: -1181.510 where: short stacking energy: -511.116 Base-Backbone interact. energy: -1.413 local terms energy: -545.175721 where: bonds (distance) C4'-P energy: -102.763 bonds (distance) P-C4' energy: -99.357 flat angles C4'-P-C4' energy: -137.413 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: -138.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1628.828375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.828375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.828375 (E_RNA) where: Base-Base interactions energy: -1120.796 where: short stacking energy: -484.609 Base-Backbone interact. energy: 3.948 local terms energy: -511.981123 where: bonds (distance) C4'-P energy: -94.218 bonds (distance) P-C4' energy: -99.586 flat angles C4'-P-C4' energy: -120.314 flat angles P-C4'-P energy: -71.979 tors. eta vs tors. theta energy: -125.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1493.133349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.133349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.133349 (E_RNA) where: Base-Base interactions energy: -960.643 where: short stacking energy: -437.710 Base-Backbone interact. energy: -1.510 local terms energy: -530.980547 where: bonds (distance) C4'-P energy: -103.393 bonds (distance) P-C4' energy: -120.714 flat angles C4'-P-C4' energy: -117.701 flat angles P-C4'-P energy: -83.100 tors. eta vs tors. theta energy: -106.072 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: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1373.637468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.637468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.637468 (E_RNA) where: Base-Base interactions energy: -924.096 where: short stacking energy: -423.912 Base-Backbone interact. energy: 1.439 local terms energy: -450.980338 where: bonds (distance) C4'-P energy: -92.985 bonds (distance) P-C4' energy: -92.957 flat angles C4'-P-C4' energy: -97.092 flat angles P-C4'-P energy: -69.342 tors. eta vs tors. theta energy: -98.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1311.640192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.640192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.640192 (E_RNA) where: Base-Base interactions energy: -860.802 where: short stacking energy: -388.910 Base-Backbone interact. energy: -2.633 local terms energy: -448.205629 where: bonds (distance) C4'-P energy: -98.931 bonds (distance) P-C4' energy: -96.349 flat angles C4'-P-C4' energy: -88.973 flat angles P-C4'-P energy: -65.849 tors. eta vs tors. theta energy: -98.103 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: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -953.229249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.229249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.229249 (E_RNA) where: Base-Base interactions energy: -569.433 where: short stacking energy: -286.609 Base-Backbone interact. energy: -3.140 local terms energy: -380.655530 where: bonds (distance) C4'-P energy: -85.706 bonds (distance) P-C4' energy: -103.377 flat angles C4'-P-C4' energy: -89.567 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -53.880 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: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -760.753673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.753673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.753673 (E_RNA) where: Base-Base interactions energy: -409.248 where: short stacking energy: -209.070 Base-Backbone interact. energy: 0.577 local terms energy: -352.082719 where: bonds (distance) C4'-P energy: -97.221 bonds (distance) P-C4' energy: -83.394 flat angles C4'-P-C4' energy: -85.242 flat angles P-C4'-P energy: -57.720 tors. eta vs tors. theta energy: -28.505 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -440.709463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.709463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.709463 (E_RNA) where: Base-Base interactions energy: -172.871 where: short stacking energy: -156.526 Base-Backbone interact. energy: -0.709 local terms energy: -267.129143 where: bonds (distance) C4'-P energy: -84.441 bonds (distance) P-C4' energy: -108.798 flat angles C4'-P-C4' energy: -58.007 flat angles P-C4'-P energy: -30.500 tors. eta vs tors. theta energy: 14.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1871.166932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.166932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.166932 (E_RNA) where: Base-Base interactions energy: -1263.255 where: short stacking energy: -543.484 Base-Backbone interact. energy: -1.330 local terms energy: -606.582167 where: bonds (distance) C4'-P energy: -110.869 bonds (distance) P-C4' energy: -122.032 flat angles C4'-P-C4' energy: -129.200 flat angles P-C4'-P energy: -83.520 tors. eta vs tors. theta energy: -160.962 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: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1831.194479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.194479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.194479 (E_RNA) where: Base-Base interactions energy: -1201.860 where: short stacking energy: -534.221 Base-Backbone interact. energy: -1.538 local terms energy: -627.796567 where: bonds (distance) C4'-P energy: -126.049 bonds (distance) P-C4' energy: -116.762 flat angles C4'-P-C4' energy: -132.914 flat angles P-C4'-P energy: -84.861 tors. eta vs tors. theta energy: -167.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1738.655171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.655171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.655171 (E_RNA) where: Base-Base interactions energy: -1187.640 where: short stacking energy: -481.576 Base-Backbone interact. energy: -1.640 local terms energy: -549.374681 where: bonds (distance) C4'-P energy: -107.474 bonds (distance) P-C4' energy: -115.533 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -63.320 tors. eta vs tors. theta energy: -149.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1616.190849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.190849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.190849 (E_RNA) where: Base-Base interactions energy: -1082.499 where: short stacking energy: -473.795 Base-Backbone interact. energy: -7.029 local terms energy: -526.662895 where: bonds (distance) C4'-P energy: -97.988 bonds (distance) P-C4' energy: -114.928 flat angles C4'-P-C4' energy: -115.710 flat angles P-C4'-P energy: -74.752 tors. eta vs tors. theta energy: -123.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1494.470278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.470278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.470278 (E_RNA) where: Base-Base interactions energy: -983.639 where: short stacking energy: -450.405 Base-Backbone interact. energy: -0.255 local terms energy: -510.575933 where: bonds (distance) C4'-P energy: -106.842 bonds (distance) P-C4' energy: -96.459 flat angles C4'-P-C4' energy: -111.929 flat angles P-C4'-P energy: -76.679 tors. eta vs tors. theta energy: -118.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1429.198745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.198745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.198745 (E_RNA) where: Base-Base interactions energy: -938.453 where: short stacking energy: -449.750 Base-Backbone interact. energy: -0.975 local terms energy: -489.771332 where: bonds (distance) C4'-P energy: -75.417 bonds (distance) P-C4' energy: -95.540 flat angles C4'-P-C4' energy: -123.450 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -117.955 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: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1252.704404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.704404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.704404 (E_RNA) where: Base-Base interactions energy: -834.264 where: short stacking energy: -331.183 Base-Backbone interact. energy: -2.427 local terms energy: -416.013579 where: bonds (distance) C4'-P energy: -95.028 bonds (distance) P-C4' energy: -91.137 flat angles C4'-P-C4' energy: -93.314 flat angles P-C4'-P energy: -65.211 tors. eta vs tors. theta energy: -71.323 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -986.199525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.199525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.199525 (E_RNA) where: Base-Base interactions energy: -597.519 where: short stacking energy: -277.294 Base-Backbone interact. energy: -2.190 local terms energy: -386.491079 where: bonds (distance) C4'-P energy: -94.443 bonds (distance) P-C4' energy: -97.241 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -43.737 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: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -705.315693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.315693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.315693 (E_RNA) where: Base-Base interactions energy: -370.949 where: short stacking energy: -205.061 Base-Backbone interact. energy: -0.906 local terms energy: -333.460450 where: bonds (distance) C4'-P energy: -80.768 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -71.205 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: -19.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -477.262830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.262830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.262830 (E_RNA) where: Base-Base interactions energy: -170.483 where: short stacking energy: -137.195 Base-Backbone interact. energy: -0.708 local terms energy: -306.071930 where: bonds (distance) C4'-P energy: -87.947 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -81.822 flat angles P-C4'-P energy: -38.642 tors. eta vs tors. theta energy: 8.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1877.282174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.282174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.282174 (E_RNA) where: Base-Base interactions energy: -1294.397 where: short stacking energy: -571.424 Base-Backbone interact. energy: -0.877 local terms energy: -582.008743 where: bonds (distance) C4'-P energy: -98.767 bonds (distance) P-C4' energy: -116.195 flat angles C4'-P-C4' energy: -132.684 flat angles P-C4'-P energy: -68.917 tors. eta vs tors. theta energy: -165.445 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: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1850.483420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.483420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.483420 (E_RNA) where: Base-Base interactions energy: -1238.390 where: short stacking energy: -534.856 Base-Backbone interact. energy: -3.670 local terms energy: -608.423486 where: bonds (distance) C4'-P energy: -108.032 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -129.717 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -162.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1727.998143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.998143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.998143 (E_RNA) where: Base-Base interactions energy: -1160.724 where: short stacking energy: -513.547 Base-Backbone interact. energy: -1.369 local terms energy: -565.905488 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -106.445 flat angles C4'-P-C4' energy: -127.961 flat angles P-C4'-P energy: -75.183 tors. eta vs tors. theta energy: -148.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1566.455200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.455200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.455200 (E_RNA) where: Base-Base interactions energy: -1035.603 where: short stacking energy: -485.480 Base-Backbone interact. energy: -4.134 local terms energy: -526.718214 where: bonds (distance) C4'-P energy: -105.281 bonds (distance) P-C4' energy: -93.970 flat angles C4'-P-C4' energy: -114.637 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -129.715 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: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1483.061543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.061543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.061543 (E_RNA) where: Base-Base interactions energy: -968.526 where: short stacking energy: -430.194 Base-Backbone interact. energy: 0.221 local terms energy: -514.756637 where: bonds (distance) C4'-P energy: -84.664 bonds (distance) P-C4' energy: -109.629 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -82.922 tors. eta vs tors. theta energy: -116.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1405.599548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.599548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.599548 (E_RNA) where: Base-Base interactions energy: -895.290 where: short stacking energy: -405.766 Base-Backbone interact. energy: -2.093 local terms energy: -508.216713 where: bonds (distance) C4'-P energy: -114.384 bonds (distance) P-C4' energy: -99.899 flat angles C4'-P-C4' energy: -115.522 flat angles P-C4'-P energy: -71.425 tors. eta vs tors. theta energy: -106.987 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: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1253.742725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.742725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.742725 (E_RNA) where: Base-Base interactions energy: -817.810 where: short stacking energy: -377.310 Base-Backbone interact. energy: -3.719 local terms energy: -432.213152 where: bonds (distance) C4'-P energy: -81.845 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -99.554 flat angles P-C4'-P energy: -73.860 tors. eta vs tors. theta energy: -91.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -901.255895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.255895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.255895 (E_RNA) where: Base-Base interactions energy: -505.353 where: short stacking energy: -249.268 Base-Backbone interact. energy: 1.250 local terms energy: -397.153559 where: bonds (distance) C4'-P energy: -102.351 bonds (distance) P-C4' energy: -97.644 flat angles C4'-P-C4' energy: -95.174 flat angles P-C4'-P energy: -61.731 tors. eta vs tors. theta energy: -40.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -708.941967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.941967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.941967 (E_RNA) where: Base-Base interactions energy: -385.228 where: short stacking energy: -202.097 Base-Backbone interact. energy: -1.337 local terms energy: -322.377136 where: bonds (distance) C4'-P energy: -87.349 bonds (distance) P-C4' energy: -93.827 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -45.022 tors. eta vs tors. theta energy: -11.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -449.303087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.303087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.303087 (E_RNA) where: Base-Base interactions energy: -119.987 where: short stacking energy: -84.396 Base-Backbone interact. energy: 0.991 local terms energy: -330.307035 where: bonds (distance) C4'-P energy: -80.073 bonds (distance) P-C4' energy: -116.635 flat angles C4'-P-C4' energy: -80.748 flat angles P-C4'-P energy: -71.240 tors. eta vs tors. theta energy: 18.389 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: 86 Temperature: 0.900000 Total energy: -1858.970982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.970982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.970982 (E_RNA) where: Base-Base interactions energy: -1262.132 where: short stacking energy: -543.114 Base-Backbone interact. energy: -1.642 local terms energy: -595.196355 where: bonds (distance) C4'-P energy: -114.475 bonds (distance) P-C4' energy: -102.787 flat angles C4'-P-C4' energy: -132.747 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -164.235 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: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1875.182610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.182610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.182610 (E_RNA) where: Base-Base interactions energy: -1246.034 where: short stacking energy: -560.615 Base-Backbone interact. energy: -3.069 local terms energy: -626.079536 where: bonds (distance) C4'-P energy: -108.749 bonds (distance) P-C4' energy: -120.568 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -174.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1755.515175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.515175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.515175 (E_RNA) where: Base-Base interactions energy: -1184.783 where: short stacking energy: -495.586 Base-Backbone interact. energy: 1.525 local terms energy: -572.256915 where: bonds (distance) C4'-P energy: -113.123 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -133.191 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -128.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1601.699088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.699088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.699088 (E_RNA) where: Base-Base interactions energy: -1063.377 where: short stacking energy: -499.985 Base-Backbone interact. energy: -3.696 local terms energy: -534.626143 where: bonds (distance) C4'-P energy: -98.003 bonds (distance) P-C4' energy: -113.522 flat angles C4'-P-C4' energy: -104.420 flat angles P-C4'-P energy: -83.698 tors. eta vs tors. theta energy: -134.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1470.231345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.231345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.231345 (E_RNA) where: Base-Base interactions energy: -948.352 where: short stacking energy: -447.990 Base-Backbone interact. energy: -2.326 local terms energy: -519.553628 where: bonds (distance) C4'-P energy: -97.399 bonds (distance) P-C4' energy: -101.453 flat angles C4'-P-C4' energy: -125.853 flat angles P-C4'-P energy: -65.516 tors. eta vs tors. theta energy: -129.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1419.227067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.227067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.227067 (E_RNA) where: Base-Base interactions energy: -923.014 where: short stacking energy: -399.558 Base-Backbone interact. energy: 0.658 local terms energy: -496.870307 where: bonds (distance) C4'-P energy: -107.477 bonds (distance) P-C4' energy: -113.441 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: -110.075 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: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1236.970978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.970978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.970978 (E_RNA) where: Base-Base interactions energy: -811.496 where: short stacking energy: -381.776 Base-Backbone interact. energy: -0.131 local terms energy: -425.343983 where: bonds (distance) C4'-P energy: -83.021 bonds (distance) P-C4' energy: -104.803 flat angles C4'-P-C4' energy: -97.974 flat angles P-C4'-P energy: -60.713 tors. eta vs tors. theta energy: -78.833 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: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -900.697311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.697311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.697311 (E_RNA) where: Base-Base interactions energy: -537.401 where: short stacking energy: -265.790 Base-Backbone interact. energy: -0.128 local terms energy: -363.167946 where: bonds (distance) C4'-P energy: -66.699 bonds (distance) P-C4' energy: -97.264 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -38.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -760.733774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.733774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.733774 (E_RNA) where: Base-Base interactions energy: -378.686 where: short stacking energy: -194.583 Base-Backbone interact. energy: -1.540 local terms energy: -380.507453 where: bonds (distance) C4'-P energy: -92.128 bonds (distance) P-C4' energy: -114.978 flat angles C4'-P-C4' energy: -87.934 flat angles P-C4'-P energy: -65.510 tors. eta vs tors. theta energy: -19.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -478.488808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.488808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.488808 (E_RNA) where: Base-Base interactions energy: -182.882 where: short stacking energy: -107.371 Base-Backbone interact. energy: 5.754 local terms energy: -301.361359 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -103.982 flat angles C4'-P-C4' energy: -76.506 flat angles P-C4'-P energy: -54.432 tors. eta vs tors. theta energy: 26.446 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: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1852.223834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.223834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.223834 (E_RNA) where: Base-Base interactions energy: -1251.619 where: short stacking energy: -554.282 Base-Backbone interact. energy: 1.557 local terms energy: -602.161998 where: bonds (distance) C4'-P energy: -112.834 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -138.274 flat angles P-C4'-P energy: -71.965 tors. eta vs tors. theta energy: -159.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1825.782535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.782535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.782535 (E_RNA) where: Base-Base interactions energy: -1221.933 where: short stacking energy: -543.018 Base-Backbone interact. energy: -1.498 local terms energy: -602.351461 where: bonds (distance) C4'-P energy: -107.987 bonds (distance) P-C4' energy: -122.339 flat angles C4'-P-C4' energy: -130.251 flat angles P-C4'-P energy: -83.934 tors. eta vs tors. theta energy: -157.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1725.616515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.616515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.616515 (E_RNA) where: Base-Base interactions energy: -1177.765 where: short stacking energy: -516.297 Base-Backbone interact. energy: -3.088 local terms energy: -544.763694 where: bonds (distance) C4'-P energy: -107.256 bonds (distance) P-C4' energy: -111.991 flat angles C4'-P-C4' energy: -122.062 flat angles P-C4'-P energy: -66.338 tors. eta vs tors. theta energy: -137.116 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: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1581.740253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.740253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.740253 (E_RNA) where: Base-Base interactions energy: -1047.415 where: short stacking energy: -469.899 Base-Backbone interact. energy: -2.486 local terms energy: -531.839774 where: bonds (distance) C4'-P energy: -110.846 bonds (distance) P-C4' energy: -119.420 flat angles C4'-P-C4' energy: -106.908 flat angles P-C4'-P energy: -77.092 tors. eta vs tors. theta energy: -117.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1499.113163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.113163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.113163 (E_RNA) where: Base-Base interactions energy: -974.227 where: short stacking energy: -459.728 Base-Backbone interact. energy: -1.440 local terms energy: -523.446788 where: bonds (distance) C4'-P energy: -99.690 bonds (distance) P-C4' energy: -97.441 flat angles C4'-P-C4' energy: -117.785 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -121.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1341.729634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.729634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.729634 (E_RNA) where: Base-Base interactions energy: -850.728 where: short stacking energy: -398.093 Base-Backbone interact. energy: -2.124 local terms energy: -488.877199 where: bonds (distance) C4'-P energy: -92.136 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -109.658 flat angles P-C4'-P energy: -76.080 tors. eta vs tors. theta energy: -104.447 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: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1219.647909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.647909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.647909 (E_RNA) where: Base-Base interactions energy: -787.508 where: short stacking energy: -354.358 Base-Backbone interact. energy: -1.289 local terms energy: -430.850724 where: bonds (distance) C4'-P energy: -89.517 bonds (distance) P-C4' energy: -91.415 flat angles C4'-P-C4' energy: -113.817 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -71.912 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: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -812.791064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.791064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.791064 (E_RNA) where: Base-Base interactions energy: -445.527 where: short stacking energy: -248.146 Base-Backbone interact. energy: 8.519 local terms energy: -375.783224 where: bonds (distance) C4'-P energy: -94.952 bonds (distance) P-C4' energy: -105.740 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -53.173 tors. eta vs tors. theta energy: -27.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -834.134546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.134546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.134546 (E_RNA) where: Base-Base interactions energy: -475.681 where: short stacking energy: -229.882 Base-Backbone interact. energy: -1.100 local terms energy: -357.353647 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -103.140 flat angles C4'-P-C4' energy: -94.267 flat angles P-C4'-P energy: -51.325 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: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -507.268849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.268849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.268849 (E_RNA) where: Base-Base interactions energy: -221.725 where: short stacking energy: -143.605 Base-Backbone interact. energy: -2.863 local terms energy: -282.680713 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -87.615 flat angles C4'-P-C4' energy: -76.008 flat angles P-C4'-P energy: -55.960 tors. eta vs tors. theta energy: 17.840 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: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1830.723710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.723710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.723710 (E_RNA) where: Base-Base interactions energy: -1237.781 where: short stacking energy: -559.519 Base-Backbone interact. energy: -0.893 local terms energy: -592.049356 where: bonds (distance) C4'-P energy: -106.522 bonds (distance) P-C4' energy: -105.762 flat angles C4'-P-C4' energy: -136.529 flat angles P-C4'-P energy: -81.192 tors. eta vs tors. theta energy: -162.045 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: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1846.427052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.427052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.427052 (E_RNA) where: Base-Base interactions energy: -1245.182 where: short stacking energy: -540.971 Base-Backbone interact. energy: -2.432 local terms energy: -598.813509 where: bonds (distance) C4'-P energy: -116.734 bonds (distance) P-C4' energy: -113.887 flat angles C4'-P-C4' energy: -119.547 flat angles P-C4'-P energy: -82.120 tors. eta vs tors. theta energy: -166.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1744.624106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.624106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.624106 (E_RNA) where: Base-Base interactions energy: -1196.332 where: short stacking energy: -522.071 Base-Backbone interact. energy: -2.566 local terms energy: -545.725736 where: bonds (distance) C4'-P energy: -86.024 bonds (distance) P-C4' energy: -119.506 flat angles C4'-P-C4' energy: -123.440 flat angles P-C4'-P energy: -77.294 tors. eta vs tors. theta energy: -139.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1629.821784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.821784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.821784 (E_RNA) where: Base-Base interactions energy: -1101.672 where: short stacking energy: -465.696 Base-Backbone interact. energy: -2.359 local terms energy: -525.790945 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -104.446 flat angles C4'-P-C4' energy: -115.422 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: -123.239 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: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1489.088149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.088149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.088149 (E_RNA) where: Base-Base interactions energy: -983.129 where: short stacking energy: -438.733 Base-Backbone interact. energy: -1.854 local terms energy: -504.105681 where: bonds (distance) C4'-P energy: -92.125 bonds (distance) P-C4' energy: -105.480 flat angles C4'-P-C4' energy: -124.596 flat angles P-C4'-P energy: -64.344 tors. eta vs tors. theta energy: -117.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1384.020709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.020709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.020709 (E_RNA) where: Base-Base interactions energy: -908.102 where: short stacking energy: -420.771 Base-Backbone interact. energy: -0.598 local terms energy: -475.320866 where: bonds (distance) C4'-P energy: -92.730 bonds (distance) P-C4' energy: -102.443 flat angles C4'-P-C4' energy: -112.188 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -100.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1248.804517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.804517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.804517 (E_RNA) where: Base-Base interactions energy: -797.079 where: short stacking energy: -354.847 Base-Backbone interact. energy: -1.503 local terms energy: -450.221574 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -93.140 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -61.321 tors. eta vs tors. theta energy: -91.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -793.193931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.193931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.193931 (E_RNA) where: Base-Base interactions energy: -399.696 where: short stacking energy: -235.038 Base-Backbone interact. energy: 1.337 local terms energy: -394.834666 where: bonds (distance) C4'-P energy: -97.076 bonds (distance) P-C4' energy: -121.136 flat angles C4'-P-C4' energy: -95.637 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: -15.348 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: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -854.567402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.567402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.567402 (E_RNA) where: Base-Base interactions energy: -494.474 where: short stacking energy: -227.514 Base-Backbone interact. energy: 0.569 local terms energy: -360.662511 where: bonds (distance) C4'-P energy: -99.426 bonds (distance) P-C4' energy: -83.785 flat angles C4'-P-C4' energy: -84.936 flat angles P-C4'-P energy: -60.095 tors. eta vs tors. theta energy: -32.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -479.595345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.595345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.595345 (E_RNA) where: Base-Base interactions energy: -178.452 where: short stacking energy: -135.581 Base-Backbone interact. energy: 2.031 local terms energy: -303.174322 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -103.515 flat angles C4'-P-C4' energy: -76.415 flat angles P-C4'-P energy: -56.898 tors. eta vs tors. theta energy: 19.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1802.631739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.631739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.631739 (E_RNA) where: Base-Base interactions energy: -1195.154 where: short stacking energy: -568.026 Base-Backbone interact. energy: -0.406 local terms energy: -607.071652 where: bonds (distance) C4'-P energy: -106.245 bonds (distance) P-C4' energy: -123.292 flat angles C4'-P-C4' energy: -127.532 flat angles P-C4'-P energy: -86.618 tors. eta vs tors. theta energy: -163.385 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: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1882.901517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.901517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.901517 (E_RNA) where: Base-Base interactions energy: -1282.235 where: short stacking energy: -565.587 Base-Backbone interact. energy: -0.317 local terms energy: -600.348967 where: bonds (distance) C4'-P energy: -113.443 bonds (distance) P-C4' energy: -119.626 flat angles C4'-P-C4' energy: -122.433 flat angles P-C4'-P energy: -75.799 tors. eta vs tors. theta energy: -169.049 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: 89 Temperature: 1.000000 Total energy: -1747.838543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.838543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.838543 (E_RNA) where: Base-Base interactions energy: -1183.735 where: short stacking energy: -495.744 Base-Backbone interact. energy: -3.108 local terms energy: -560.996200 where: bonds (distance) C4'-P energy: -105.641 bonds (distance) P-C4' energy: -111.314 flat angles C4'-P-C4' energy: -126.120 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: -144.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1614.723313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.723313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.723313 (E_RNA) where: Base-Base interactions energy: -1065.310 where: short stacking energy: -481.250 Base-Backbone interact. energy: -1.117 local terms energy: -548.295755 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -94.087 flat angles C4'-P-C4' energy: -125.490 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -130.365 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: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1501.954178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.954178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.954178 (E_RNA) where: Base-Base interactions energy: -969.814 where: short stacking energy: -465.139 Base-Backbone interact. energy: 0.649 local terms energy: -532.788815 where: bonds (distance) C4'-P energy: -92.382 bonds (distance) P-C4' energy: -113.858 flat angles C4'-P-C4' energy: -115.078 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -127.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1417.761310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.761310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.761310 (E_RNA) where: Base-Base interactions energy: -931.681 where: short stacking energy: -411.151 Base-Backbone interact. energy: -3.478 local terms energy: -482.601459 where: bonds (distance) C4'-P energy: -101.795 bonds (distance) P-C4' energy: -102.381 flat angles C4'-P-C4' energy: -100.997 flat angles P-C4'-P energy: -83.319 tors. eta vs tors. theta energy: -94.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1193.331368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.331368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.331368 (E_RNA) where: Base-Base interactions energy: -760.700 where: short stacking energy: -323.283 Base-Backbone interact. energy: 0.309 local terms energy: -432.940910 where: bonds (distance) C4'-P energy: -93.553 bonds (distance) P-C4' energy: -100.544 flat angles C4'-P-C4' energy: -104.974 flat angles P-C4'-P energy: -61.523 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: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -946.324518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.324518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.324518 (E_RNA) where: Base-Base interactions energy: -569.664 where: short stacking energy: -266.227 Base-Backbone interact. energy: -1.536 local terms energy: -375.124768 where: bonds (distance) C4'-P energy: -89.381 bonds (distance) P-C4' energy: -90.340 flat angles C4'-P-C4' energy: -82.348 flat angles P-C4'-P energy: -61.763 tors. eta vs tors. theta energy: -51.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -722.855571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.855571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.855571 (E_RNA) where: Base-Base interactions energy: -390.267 where: short stacking energy: -203.763 Base-Backbone interact. energy: -0.987 local terms energy: -331.601598 where: bonds (distance) C4'-P energy: -108.549 bonds (distance) P-C4' energy: -94.266 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: -4.215 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: 89 Temperature: 1.350000 Total energy: -444.927988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.927988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.927988 (E_RNA) where: Base-Base interactions energy: -170.745 where: short stacking energy: -152.234 Base-Backbone interact. energy: 5.044 local terms energy: -279.226461 where: bonds (distance) C4'-P energy: -92.032 bonds (distance) P-C4' energy: -89.297 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -46.206 tors. eta vs tors. theta energy: 11.212 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: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1892.171306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.171306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.171306 (E_RNA) where: Base-Base interactions energy: -1272.981 where: short stacking energy: -559.863 Base-Backbone interact. energy: -2.678 local terms energy: -616.512259 where: bonds (distance) C4'-P energy: -119.683 bonds (distance) P-C4' energy: -116.948 flat angles C4'-P-C4' energy: -134.720 flat angles P-C4'-P energy: -77.661 tors. eta vs tors. theta energy: -167.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1769.180380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.180380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.180380 (E_RNA) where: Base-Base interactions energy: -1189.248 where: short stacking energy: -539.770 Base-Backbone interact. energy: -0.346 local terms energy: -579.585592 where: bonds (distance) C4'-P energy: -103.737 bonds (distance) P-C4' energy: -111.357 flat angles C4'-P-C4' energy: -121.439 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -169.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1765.897401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.897401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.897401 (E_RNA) where: Base-Base interactions energy: -1215.764 where: short stacking energy: -519.340 Base-Backbone interact. energy: -0.798 local terms energy: -549.335304 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -114.175 flat angles C4'-P-C4' energy: -127.698 flat angles P-C4'-P energy: -78.066 tors. eta vs tors. theta energy: -136.220 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: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1621.601788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.601788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.601788 (E_RNA) where: Base-Base interactions energy: -1073.194 where: short stacking energy: -489.134 Base-Backbone interact. energy: -0.719 local terms energy: -547.688287 where: bonds (distance) C4'-P energy: -114.800 bonds (distance) P-C4' energy: -90.786 flat angles C4'-P-C4' energy: -126.054 flat angles P-C4'-P energy: -79.534 tors. eta vs tors. theta energy: -136.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1529.280954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.280954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.280954 (E_RNA) where: Base-Base interactions energy: -1005.501 where: short stacking energy: -458.524 Base-Backbone interact. energy: -1.987 local terms energy: -521.792565 where: bonds (distance) C4'-P energy: -112.681 bonds (distance) P-C4' energy: -92.683 flat angles C4'-P-C4' energy: -107.579 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: -130.338 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: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1403.102617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.102617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.102617 (E_RNA) where: Base-Base interactions energy: -887.103 where: short stacking energy: -396.273 Base-Backbone interact. energy: -2.605 local terms energy: -513.394270 where: bonds (distance) C4'-P energy: -81.417 bonds (distance) P-C4' energy: -120.907 flat angles C4'-P-C4' energy: -117.062 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -119.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1268.891624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.891624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.891624 (E_RNA) where: Base-Base interactions energy: -839.105 where: short stacking energy: -371.739 Base-Backbone interact. energy: -0.410 local terms energy: -429.376691 where: bonds (distance) C4'-P energy: -89.338 bonds (distance) P-C4' energy: -118.706 flat angles C4'-P-C4' energy: -88.148 flat angles P-C4'-P energy: -34.867 tors. eta vs tors. theta energy: -98.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -938.332134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.332134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.332134 (E_RNA) where: Base-Base interactions energy: -544.988 where: short stacking energy: -233.086 Base-Backbone interact. energy: -3.221 local terms energy: -390.123224 where: bonds (distance) C4'-P energy: -83.453 bonds (distance) P-C4' energy: -107.815 flat angles C4'-P-C4' energy: -100.346 flat angles P-C4'-P energy: -57.947 tors. eta vs tors. theta energy: -40.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -682.699309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.699309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.699309 (E_RNA) where: Base-Base interactions energy: -354.238 where: short stacking energy: -190.688 Base-Backbone interact. energy: -2.674 local terms energy: -325.787109 where: bonds (distance) C4'-P energy: -89.360 bonds (distance) P-C4' energy: -105.972 flat angles C4'-P-C4' energy: -82.872 flat angles P-C4'-P energy: -41.378 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -459.458913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.458913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.458913 (E_RNA) where: Base-Base interactions energy: -163.048 where: short stacking energy: -127.111 Base-Backbone interact. energy: -1.295 local terms energy: -295.115800 where: bonds (distance) C4'-P energy: -98.200 bonds (distance) P-C4' energy: -94.384 flat angles C4'-P-C4' energy: -78.117 flat angles P-C4'-P energy: -44.091 tors. eta vs tors. theta energy: 19.676 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: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1885.858314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.858314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.858314 (E_RNA) where: Base-Base interactions energy: -1259.381 where: short stacking energy: -563.045 Base-Backbone interact. energy: 0.952 local terms energy: -627.429212 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -123.043 flat angles C4'-P-C4' energy: -134.968 flat angles P-C4'-P energy: -86.813 tors. eta vs tors. theta energy: -162.776 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: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1733.651265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.651265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.651265 (E_RNA) where: Base-Base interactions energy: -1149.418 where: short stacking energy: -525.712 Base-Backbone interact. energy: -0.306 local terms energy: -583.927979 where: bonds (distance) C4'-P energy: -120.358 bonds (distance) P-C4' energy: -113.668 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -77.641 tors. eta vs tors. theta energy: -142.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1758.721575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.721575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.721575 (E_RNA) where: Base-Base interactions energy: -1198.548 where: short stacking energy: -507.350 Base-Backbone interact. energy: -1.601 local terms energy: -558.572701 where: bonds (distance) C4'-P energy: -108.116 bonds (distance) P-C4' energy: -105.866 flat angles C4'-P-C4' energy: -116.820 flat angles P-C4'-P energy: -79.690 tors. eta vs tors. theta energy: -148.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1554.512666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.512666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.512666 (E_RNA) where: Base-Base interactions energy: -1029.173 where: short stacking energy: -471.122 Base-Backbone interact. energy: -1.814 local terms energy: -523.525684 where: bonds (distance) C4'-P energy: -95.626 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -107.669 flat angles P-C4'-P energy: -85.784 tors. eta vs tors. theta energy: -108.953 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: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1533.976032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.976032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.976032 (E_RNA) where: Base-Base interactions energy: -1032.721 where: short stacking energy: -458.808 Base-Backbone interact. energy: -1.384 local terms energy: -499.871134 where: bonds (distance) C4'-P energy: -100.116 bonds (distance) P-C4' energy: -103.928 flat angles C4'-P-C4' energy: -110.536 flat angles P-C4'-P energy: -64.381 tors. eta vs tors. theta energy: -120.910 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: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1421.145750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.145750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.145750 (E_RNA) where: Base-Base interactions energy: -915.229 where: short stacking energy: -406.674 Base-Backbone interact. energy: -0.952 local terms energy: -504.964833 where: bonds (distance) C4'-P energy: -98.794 bonds (distance) P-C4' energy: -102.358 flat angles C4'-P-C4' energy: -112.002 flat angles P-C4'-P energy: -73.040 tors. eta vs tors. theta energy: -118.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1265.068744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.068744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.068744 (E_RNA) where: Base-Base interactions energy: -821.725 where: short stacking energy: -370.806 Base-Backbone interact. energy: 0.030 local terms energy: -443.373555 where: bonds (distance) C4'-P energy: -93.130 bonds (distance) P-C4' energy: -100.150 flat angles C4'-P-C4' energy: -108.614 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -75.991 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: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -927.378416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.378416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.378416 (E_RNA) where: Base-Base interactions energy: -523.499 where: short stacking energy: -295.765 Base-Backbone interact. energy: 0.483 local terms energy: -404.361868 where: bonds (distance) C4'-P energy: -105.263 bonds (distance) P-C4' energy: -92.172 flat angles C4'-P-C4' energy: -88.619 flat angles P-C4'-P energy: -63.891 tors. eta vs tors. theta energy: -54.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -687.727991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.727991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.727991 (E_RNA) where: Base-Base interactions energy: -329.164 where: short stacking energy: -185.437 Base-Backbone interact. energy: 2.494 local terms energy: -361.057658 where: bonds (distance) C4'-P energy: -105.412 bonds (distance) P-C4' energy: -90.972 flat angles C4'-P-C4' energy: -85.870 flat angles P-C4'-P energy: -66.581 tors. eta vs tors. theta energy: -12.223 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: 91 Temperature: 1.350000 Total energy: -438.486042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.486042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.486042 (E_RNA) where: Base-Base interactions energy: -128.250 where: short stacking energy: -119.959 Base-Backbone interact. energy: -1.256 local terms energy: -308.979849 where: bonds (distance) C4'-P energy: -87.177 bonds (distance) P-C4' energy: -105.808 flat angles C4'-P-C4' energy: -79.982 flat angles P-C4'-P energy: -52.581 tors. eta vs tors. theta energy: 16.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1903.040900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.040900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.040900 (E_RNA) where: Base-Base interactions energy: -1292.424 where: short stacking energy: -561.732 Base-Backbone interact. energy: -3.178 local terms energy: -607.439001 where: bonds (distance) C4'-P energy: -111.950 bonds (distance) P-C4' energy: -117.812 flat angles C4'-P-C4' energy: -130.734 flat angles P-C4'-P energy: -79.882 tors. eta vs tors. theta energy: -167.061 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: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1746.227123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.227123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.227123 (E_RNA) where: Base-Base interactions energy: -1168.459 where: short stacking energy: -529.144 Base-Backbone interact. energy: -2.718 local terms energy: -575.049405 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -123.118 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -141.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1761.400029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.400029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.400029 (E_RNA) where: Base-Base interactions energy: -1208.295 where: short stacking energy: -502.924 Base-Backbone interact. energy: -3.486 local terms energy: -549.618616 where: bonds (distance) C4'-P energy: -93.052 bonds (distance) P-C4' energy: -101.078 flat angles C4'-P-C4' energy: -122.829 flat angles P-C4'-P energy: -83.173 tors. eta vs tors. theta energy: -149.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1575.444088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.444088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.444088 (E_RNA) where: Base-Base interactions energy: -1023.743 where: short stacking energy: -473.768 Base-Backbone interact. energy: 1.695 local terms energy: -553.395787 where: bonds (distance) C4'-P energy: -113.024 bonds (distance) P-C4' energy: -123.044 flat angles C4'-P-C4' energy: -119.117 flat angles P-C4'-P energy: -78.323 tors. eta vs tors. theta energy: -119.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1566.974558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.974558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.974558 (E_RNA) where: Base-Base interactions energy: -1053.228 where: short stacking energy: -483.389 Base-Backbone interact. energy: -3.458 local terms energy: -510.288727 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -99.561 flat angles C4'-P-C4' energy: -113.412 flat angles P-C4'-P energy: -77.453 tors. eta vs tors. theta energy: -124.557 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: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1363.868484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.868484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.868484 (E_RNA) where: Base-Base interactions energy: -907.957 where: short stacking energy: -414.944 Base-Backbone interact. energy: -1.993 local terms energy: -453.918605 where: bonds (distance) C4'-P energy: -93.609 bonds (distance) P-C4' energy: -84.673 flat angles C4'-P-C4' energy: -100.085 flat angles P-C4'-P energy: -79.021 tors. eta vs tors. theta energy: -96.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1200.781011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.781011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.781011 (E_RNA) where: Base-Base interactions energy: -749.243 where: short stacking energy: -349.319 Base-Backbone interact. energy: -0.894 local terms energy: -450.644683 where: bonds (distance) C4'-P energy: -84.625 bonds (distance) P-C4' energy: -109.766 flat angles C4'-P-C4' energy: -105.494 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -86.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -906.001053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.001053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.001053 (E_RNA) where: Base-Base interactions energy: -514.141 where: short stacking energy: -269.869 Base-Backbone interact. energy: 0.375 local terms energy: -392.234597 where: bonds (distance) C4'-P energy: -92.832 bonds (distance) P-C4' energy: -95.704 flat angles C4'-P-C4' energy: -91.609 flat angles P-C4'-P energy: -67.907 tors. eta vs tors. theta energy: -44.182 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: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -714.565147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.565147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.565147 (E_RNA) where: Base-Base interactions energy: -397.928 where: short stacking energy: -217.179 Base-Backbone interact. energy: -2.898 local terms energy: -313.738373 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -108.357 flat angles C4'-P-C4' energy: -78.126 flat angles P-C4'-P energy: -44.522 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -474.127713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.127713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.127713 (E_RNA) where: Base-Base interactions energy: -186.141 where: short stacking energy: -152.537 Base-Backbone interact. energy: 1.123 local terms energy: -289.109354 where: bonds (distance) C4'-P energy: -91.734 bonds (distance) P-C4' energy: -98.444 flat angles C4'-P-C4' energy: -70.129 flat angles P-C4'-P energy: -52.005 tors. eta vs tors. theta energy: 23.204 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: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1906.896869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.896869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.896869 (E_RNA) where: Base-Base interactions energy: -1311.125 where: short stacking energy: -581.825 Base-Backbone interact. energy: -1.359 local terms energy: -594.412719 where: bonds (distance) C4'-P energy: -108.150 bonds (distance) P-C4' energy: -114.332 flat angles C4'-P-C4' energy: -126.401 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -166.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1731.782487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.782487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.782487 (E_RNA) where: Base-Base interactions energy: -1139.132 where: short stacking energy: -526.178 Base-Backbone interact. energy: -2.063 local terms energy: -590.586990 where: bonds (distance) C4'-P energy: -113.851 bonds (distance) P-C4' energy: -111.218 flat angles C4'-P-C4' energy: -126.962 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -155.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1722.935745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.935745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.935745 (E_RNA) where: Base-Base interactions energy: -1145.843 where: short stacking energy: -490.897 Base-Backbone interact. energy: -0.070 local terms energy: -577.023454 where: bonds (distance) C4'-P energy: -108.673 bonds (distance) P-C4' energy: -114.293 flat angles C4'-P-C4' energy: -135.367 flat angles P-C4'-P energy: -80.451 tors. eta vs tors. theta energy: -138.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1622.395374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.395374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.395374 (E_RNA) where: Base-Base interactions energy: -1075.411 where: short stacking energy: -507.221 Base-Backbone interact. energy: -2.582 local terms energy: -544.402675 where: bonds (distance) C4'-P energy: -96.537 bonds (distance) P-C4' energy: -117.167 flat angles C4'-P-C4' energy: -124.247 flat angles P-C4'-P energy: -73.353 tors. eta vs tors. theta energy: -133.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1515.780466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.780466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.780466 (E_RNA) where: Base-Base interactions energy: -1023.560 where: short stacking energy: -452.604 Base-Backbone interact. energy: -2.159 local terms energy: -490.061992 where: bonds (distance) C4'-P energy: -86.386 bonds (distance) P-C4' energy: -98.727 flat angles C4'-P-C4' energy: -114.066 flat angles P-C4'-P energy: -72.966 tors. eta vs tors. theta energy: -117.917 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: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1269.250560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.250560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.250560 (E_RNA) where: Base-Base interactions energy: -796.914 where: short stacking energy: -371.042 Base-Backbone interact. energy: 1.811 local terms energy: -474.147717 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -105.979 flat angles C4'-P-C4' energy: -103.832 flat angles P-C4'-P energy: -67.563 tors. eta vs tors. theta energy: -78.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1225.260792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.260792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.260792 (E_RNA) where: Base-Base interactions energy: -779.365 where: short stacking energy: -366.528 Base-Backbone interact. energy: 0.504 local terms energy: -446.400130 where: bonds (distance) C4'-P energy: -98.478 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -99.534 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -76.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -971.598203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.598203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.598203 (E_RNA) where: Base-Base interactions energy: -563.113 where: short stacking energy: -262.955 Base-Backbone interact. energy: -2.822 local terms energy: -405.663159 where: bonds (distance) C4'-P energy: -108.684 bonds (distance) P-C4' energy: -91.326 flat angles C4'-P-C4' energy: -104.646 flat angles P-C4'-P energy: -54.067 tors. eta vs tors. theta energy: -46.941 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: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -825.280170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.280170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.280170 (E_RNA) where: Base-Base interactions energy: -480.266 where: short stacking energy: -252.823 Base-Backbone interact. energy: -0.244 local terms energy: -344.770503 where: bonds (distance) C4'-P energy: -85.709 bonds (distance) P-C4' energy: -100.056 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -55.362 tors. eta vs tors. theta energy: -16.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -505.107618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.107618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.107618 (E_RNA) where: Base-Base interactions energy: -174.691 where: short stacking energy: -157.404 Base-Backbone interact. energy: 3.735 local terms energy: -334.151730 where: bonds (distance) C4'-P energy: -107.103 bonds (distance) P-C4' energy: -89.744 flat angles C4'-P-C4' energy: -77.914 flat angles P-C4'-P energy: -55.472 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1899.986017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.986017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.986017 (E_RNA) where: Base-Base interactions energy: -1277.004 where: short stacking energy: -573.465 Base-Backbone interact. energy: -1.422 local terms energy: -621.559748 where: bonds (distance) C4'-P energy: -112.208 bonds (distance) P-C4' energy: -119.051 flat angles C4'-P-C4' energy: -139.237 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: -169.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1753.716958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.716958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.716958 (E_RNA) where: Base-Base interactions energy: -1158.363 where: short stacking energy: -535.246 Base-Backbone interact. energy: -1.534 local terms energy: -593.819898 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -127.358 flat angles C4'-P-C4' energy: -116.503 flat angles P-C4'-P energy: -81.887 tors. eta vs tors. theta energy: -159.730 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: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1750.389157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.389157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.389157 (E_RNA) where: Base-Base interactions energy: -1178.637 where: short stacking energy: -493.823 Base-Backbone interact. energy: -3.563 local terms energy: -568.189422 where: bonds (distance) C4'-P energy: -106.797 bonds (distance) P-C4' energy: -119.497 flat angles C4'-P-C4' energy: -130.904 flat angles P-C4'-P energy: -77.308 tors. eta vs tors. theta energy: -133.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1623.575001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.575001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.575001 (E_RNA) where: Base-Base interactions energy: -1042.536 where: short stacking energy: -473.274 Base-Backbone interact. energy: -0.288 local terms energy: -580.750655 where: bonds (distance) C4'-P energy: -114.826 bonds (distance) P-C4' energy: -130.359 flat angles C4'-P-C4' energy: -116.150 flat angles P-C4'-P energy: -81.167 tors. eta vs tors. theta energy: -138.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1546.806110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.806110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.806110 (E_RNA) where: Base-Base interactions energy: -1015.776 where: short stacking energy: -467.149 Base-Backbone interact. energy: -1.306 local terms energy: -529.724135 where: bonds (distance) C4'-P energy: -104.019 bonds (distance) P-C4' energy: -111.921 flat angles C4'-P-C4' energy: -114.873 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: -130.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1314.414631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.414631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.414631 (E_RNA) where: Base-Base interactions energy: -836.275 where: short stacking energy: -383.743 Base-Backbone interact. energy: -1.530 local terms energy: -476.610348 where: bonds (distance) C4'-P energy: -101.361 bonds (distance) P-C4' energy: -100.121 flat angles C4'-P-C4' energy: -98.351 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -100.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1217.678108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.678108 (E_RNA) where: Base-Base interactions energy: -755.097 where: short stacking energy: -344.728 Base-Backbone interact. energy: 0.714 local terms energy: -463.295058 where: bonds (distance) C4'-P energy: -109.778 bonds (distance) P-C4' energy: -106.081 flat angles C4'-P-C4' energy: -109.962 flat angles P-C4'-P energy: -59.212 tors. eta vs tors. theta energy: -78.262 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: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -904.322893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.322893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.322893 (E_RNA) where: Base-Base interactions energy: -521.603 where: short stacking energy: -270.306 Base-Backbone interact. energy: 6.822 local terms energy: -389.541781 where: bonds (distance) C4'-P energy: -98.948 bonds (distance) P-C4' energy: -100.490 flat angles C4'-P-C4' energy: -99.653 flat angles P-C4'-P energy: -49.632 tors. eta vs tors. theta energy: -40.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -815.782031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.782031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.782031 (E_RNA) where: Base-Base interactions energy: -469.478 where: short stacking energy: -237.061 Base-Backbone interact. energy: 6.013 local terms energy: -352.316379 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -84.825 flat angles C4'-P-C4' energy: -99.561 flat angles P-C4'-P energy: -44.869 tors. eta vs tors. theta energy: -28.227 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: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -458.318984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.318984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.318984 (E_RNA) where: Base-Base interactions energy: -157.125 where: short stacking energy: -132.114 Base-Backbone interact. energy: -0.227 local terms energy: -300.967511 where: bonds (distance) C4'-P energy: -96.986 bonds (distance) P-C4' energy: -76.269 flat angles C4'-P-C4' energy: -80.398 flat angles P-C4'-P energy: -50.783 tors. eta vs tors. theta energy: 3.469 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: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1878.639890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.639890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.639890 (E_RNA) where: Base-Base interactions energy: -1271.852 where: short stacking energy: -574.736 Base-Backbone interact. energy: 0.264 local terms energy: -607.052231 where: bonds (distance) C4'-P energy: -110.720 bonds (distance) P-C4' energy: -117.918 flat angles C4'-P-C4' energy: -133.498 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: -166.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1804.442631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.442631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.442631 (E_RNA) where: Base-Base interactions energy: -1261.746 where: short stacking energy: -530.763 Base-Backbone interact. energy: -2.411 local terms energy: -540.285328 where: bonds (distance) C4'-P energy: -98.465 bonds (distance) P-C4' energy: -96.084 flat angles C4'-P-C4' energy: -134.731 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -146.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1660.325844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.325844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.325844 (E_RNA) where: Base-Base interactions energy: -1074.542 where: short stacking energy: -485.900 Base-Backbone interact. energy: -2.295 local terms energy: -583.489114 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -116.741 flat angles P-C4'-P energy: -91.086 tors. eta vs tors. theta energy: -143.979 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: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1584.532241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.532241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.532241 (E_RNA) where: Base-Base interactions energy: -1056.976 where: short stacking energy: -475.754 Base-Backbone interact. energy: -0.799 local terms energy: -526.757171 where: bonds (distance) C4'-P energy: -108.408 bonds (distance) P-C4' energy: -100.769 flat angles C4'-P-C4' energy: -104.693 flat angles P-C4'-P energy: -77.266 tors. eta vs tors. theta energy: -135.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1571.159473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.159473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.159473 (E_RNA) where: Base-Base interactions energy: -1026.066 where: short stacking energy: -494.540 Base-Backbone interact. energy: -4.518 local terms energy: -540.575238 where: bonds (distance) C4'-P energy: -120.429 bonds (distance) P-C4' energy: -112.959 flat angles C4'-P-C4' energy: -106.928 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -126.357 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: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1320.796463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.796463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.796463 (E_RNA) where: Base-Base interactions energy: -857.295 where: short stacking energy: -377.417 Base-Backbone interact. energy: -1.002 local terms energy: -462.499464 where: bonds (distance) C4'-P energy: -104.276 bonds (distance) P-C4' energy: -87.291 flat angles C4'-P-C4' energy: -109.790 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -102.639 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: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1265.515911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.515911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.515911 (E_RNA) where: Base-Base interactions energy: -832.901 where: short stacking energy: -363.349 Base-Backbone interact. energy: 1.247 local terms energy: -433.862717 where: bonds (distance) C4'-P energy: -97.178 bonds (distance) P-C4' energy: -91.440 flat angles C4'-P-C4' energy: -108.949 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -81.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -939.949419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.949419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.949419 (E_RNA) where: Base-Base interactions energy: -557.525 where: short stacking energy: -268.159 Base-Backbone interact. energy: 12.503 local terms energy: -394.927434 where: bonds (distance) C4'-P energy: -113.681 bonds (distance) P-C4' energy: -104.296 flat angles C4'-P-C4' energy: -87.383 flat angles P-C4'-P energy: -65.107 tors. eta vs tors. theta energy: -24.460 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: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -834.316382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.316382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.316382 (E_RNA) where: Base-Base interactions energy: -503.873 where: short stacking energy: -253.991 Base-Backbone interact. energy: -0.864 local terms energy: -329.579517 where: bonds (distance) C4'-P energy: -86.289 bonds (distance) P-C4' energy: -60.257 flat angles C4'-P-C4' energy: -82.191 flat angles P-C4'-P energy: -58.729 tors. eta vs tors. theta energy: -42.113 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: 95 Temperature: 1.350000 Total energy: -448.381111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.381111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.381111 (E_RNA) where: Base-Base interactions energy: -160.525 where: short stacking energy: -124.862 Base-Backbone interact. energy: 2.628 local terms energy: -290.484252 where: bonds (distance) C4'-P energy: -89.517 bonds (distance) P-C4' energy: -97.057 flat angles C4'-P-C4' energy: -83.584 flat angles P-C4'-P energy: -45.114 tors. eta vs tors. theta energy: 24.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1857.014090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.014090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.014090 (E_RNA) where: Base-Base interactions energy: -1240.667 where: short stacking energy: -555.852 Base-Backbone interact. energy: -0.008 local terms energy: -616.339233 where: bonds (distance) C4'-P energy: -107.756 bonds (distance) P-C4' energy: -121.794 flat angles C4'-P-C4' energy: -127.625 flat angles P-C4'-P energy: -90.565 tors. eta vs tors. theta energy: -168.599 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: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1830.978743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.978743 (E_RNA) where: Base-Base interactions energy: -1250.881 where: short stacking energy: -546.560 Base-Backbone interact. energy: -5.273 local terms energy: -574.825349 where: bonds (distance) C4'-P energy: -100.607 bonds (distance) P-C4' energy: -115.181 flat angles C4'-P-C4' energy: -128.024 flat angles P-C4'-P energy: -82.283 tors. eta vs tors. theta energy: -148.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1676.851922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.851922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.851922 (E_RNA) where: Base-Base interactions energy: -1109.793 where: short stacking energy: -524.898 Base-Backbone interact. energy: -2.188 local terms energy: -564.871573 where: bonds (distance) C4'-P energy: -102.875 bonds (distance) P-C4' energy: -111.247 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: -153.226 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: 96 Temperature: 1.050000 Total energy: -1606.142799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.142799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.142799 (E_RNA) where: Base-Base interactions energy: -1081.121 where: short stacking energy: -484.507 Base-Backbone interact. energy: -1.833 local terms energy: -523.188700 where: bonds (distance) C4'-P energy: -101.275 bonds (distance) P-C4' energy: -101.953 flat angles C4'-P-C4' energy: -121.938 flat angles P-C4'-P energy: -65.907 tors. eta vs tors. theta energy: -132.116 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: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1534.970423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.970423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.970423 (E_RNA) where: Base-Base interactions energy: -1005.265 where: short stacking energy: -478.749 Base-Backbone interact. energy: -0.857 local terms energy: -528.848463 where: bonds (distance) C4'-P energy: -112.558 bonds (distance) P-C4' energy: -105.108 flat angles C4'-P-C4' energy: -118.017 flat angles P-C4'-P energy: -58.172 tors. eta vs tors. theta energy: -134.993 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: 96 Temperature: 1.150000 Total energy: -1361.444553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.444553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.444553 (E_RNA) where: Base-Base interactions energy: -905.135 where: short stacking energy: -410.017 Base-Backbone interact. energy: 1.686 local terms energy: -457.996180 where: bonds (distance) C4'-P energy: -84.760 bonds (distance) P-C4' energy: -84.841 flat angles C4'-P-C4' energy: -112.736 flat angles P-C4'-P energy: -73.332 tors. eta vs tors. theta energy: -102.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1295.349299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.349299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.349299 (E_RNA) where: Base-Base interactions energy: -849.220 where: short stacking energy: -352.456 Base-Backbone interact. energy: -1.487 local terms energy: -444.641805 where: bonds (distance) C4'-P energy: -85.820 bonds (distance) P-C4' energy: -88.685 flat angles C4'-P-C4' energy: -114.998 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -90.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -935.215300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.215300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.215300 (E_RNA) where: Base-Base interactions energy: -548.518 where: short stacking energy: -257.683 Base-Backbone interact. energy: -3.333 local terms energy: -383.364772 where: bonds (distance) C4'-P energy: -95.901 bonds (distance) P-C4' energy: -99.432 flat angles C4'-P-C4' energy: -93.545 flat angles P-C4'-P energy: -66.544 tors. eta vs tors. theta energy: -27.943 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: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -749.941247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.941247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.941247 (E_RNA) where: Base-Base interactions energy: -419.211 where: short stacking energy: -221.262 Base-Backbone interact. energy: 2.629 local terms energy: -333.359209 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -103.596 flat angles C4'-P-C4' energy: -68.603 flat angles P-C4'-P energy: -62.110 tors. eta vs tors. theta energy: -22.076 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: 96 Temperature: 1.350000 Total energy: -493.211460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.211460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.211460 (E_RNA) where: Base-Base interactions energy: -186.150 where: short stacking energy: -147.464 Base-Backbone interact. energy: -0.598 local terms energy: -306.463207 where: bonds (distance) C4'-P energy: -83.430 bonds (distance) P-C4' energy: -104.405 flat angles C4'-P-C4' energy: -79.984 flat angles P-C4'-P energy: -45.980 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: 97 Temperature: 0.900000 Total energy: -1913.295590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.295590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.295590 (E_RNA) where: Base-Base interactions energy: -1277.846 where: short stacking energy: -572.447 Base-Backbone interact. energy: -1.388 local terms energy: -634.061238 where: bonds (distance) C4'-P energy: -119.504 bonds (distance) P-C4' energy: -124.318 flat angles C4'-P-C4' energy: -132.056 flat angles P-C4'-P energy: -85.580 tors. eta vs tors. theta energy: -172.604 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: 97 Temperature: 0.950000 Total energy: -1858.050436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.050436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.050436 (E_RNA) where: Base-Base interactions energy: -1275.220 where: short stacking energy: -530.885 Base-Backbone interact. energy: -2.386 local terms energy: -580.444944 where: bonds (distance) C4'-P energy: -106.935 bonds (distance) P-C4' energy: -110.085 flat angles C4'-P-C4' energy: -131.302 flat angles P-C4'-P energy: -77.872 tors. eta vs tors. theta energy: -154.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1651.940558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.940558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.940558 (E_RNA) where: Base-Base interactions energy: -1097.106 where: short stacking energy: -522.150 Base-Backbone interact. energy: -0.392 local terms energy: -554.442564 where: bonds (distance) C4'-P energy: -107.293 bonds (distance) P-C4' energy: -99.376 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -149.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1576.561382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.561382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.561382 (E_RNA) where: Base-Base interactions energy: -1021.413 where: short stacking energy: -476.760 Base-Backbone interact. energy: -1.317 local terms energy: -553.831989 where: bonds (distance) C4'-P energy: -104.767 bonds (distance) P-C4' energy: -112.794 flat angles C4'-P-C4' energy: -126.822 flat angles P-C4'-P energy: -76.200 tors. eta vs tors. theta energy: -133.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1533.101819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.101819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.101819 (E_RNA) where: Base-Base interactions energy: -1013.933 where: short stacking energy: -453.408 Base-Backbone interact. energy: -2.353 local terms energy: -516.816317 where: bonds (distance) C4'-P energy: -102.300 bonds (distance) P-C4' energy: -96.783 flat angles C4'-P-C4' energy: -116.468 flat angles P-C4'-P energy: -80.350 tors. eta vs tors. theta energy: -120.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1376.456549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.456549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.456549 (E_RNA) where: Base-Base interactions energy: -880.413 where: short stacking energy: -392.729 Base-Backbone interact. energy: 0.775 local terms energy: -496.817839 where: bonds (distance) C4'-P energy: -104.477 bonds (distance) P-C4' energy: -101.852 flat angles C4'-P-C4' energy: -119.420 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: -104.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1331.640269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.640269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.640269 (E_RNA) where: Base-Base interactions energy: -864.124 where: short stacking energy: -380.382 Base-Backbone interact. energy: -0.849 local terms energy: -466.667302 where: bonds (distance) C4'-P energy: -89.669 bonds (distance) P-C4' energy: -107.361 flat angles C4'-P-C4' energy: -105.513 flat angles P-C4'-P energy: -69.609 tors. eta vs tors. theta energy: -94.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -889.296616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.296616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.296616 (E_RNA) where: Base-Base interactions energy: -514.011 where: short stacking energy: -272.748 Base-Backbone interact. energy: 3.181 local terms energy: -378.466511 where: bonds (distance) C4'-P energy: -98.594 bonds (distance) P-C4' energy: -77.389 flat angles C4'-P-C4' energy: -95.437 flat angles P-C4'-P energy: -53.498 tors. eta vs tors. theta energy: -53.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -743.071356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.071356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.071356 (E_RNA) where: Base-Base interactions energy: -421.730 where: short stacking energy: -225.807 Base-Backbone interact. energy: -1.161 local terms energy: -320.180468 where: bonds (distance) C4'-P energy: -86.067 bonds (distance) P-C4' energy: -110.083 flat angles C4'-P-C4' energy: -55.256 flat angles P-C4'-P energy: -56.362 tors. eta vs tors. theta energy: -12.413 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: 97 Temperature: 1.350000 Total energy: -479.898508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.898508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.898508 (E_RNA) where: Base-Base interactions energy: -186.497 where: short stacking energy: -141.119 Base-Backbone interact. energy: 6.866 local terms energy: -300.267908 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -83.054 flat angles P-C4'-P energy: -37.474 tors. eta vs tors. theta energy: 4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1852.498731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.498731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.498731 (E_RNA) where: Base-Base interactions energy: -1257.405 where: short stacking energy: -512.598 Base-Backbone interact. energy: -0.787 local terms energy: -594.306889 where: bonds (distance) C4'-P energy: -111.631 bonds (distance) P-C4' energy: -111.224 flat angles C4'-P-C4' energy: -134.385 flat angles P-C4'-P energy: -93.708 tors. eta vs tors. theta energy: -143.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1843.989787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.989787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.989787 (E_RNA) where: Base-Base interactions energy: -1252.565 where: short stacking energy: -537.831 Base-Backbone interact. energy: -1.671 local terms energy: -589.754158 where: bonds (distance) C4'-P energy: -115.746 bonds (distance) P-C4' energy: -112.059 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -88.503 tors. eta vs tors. theta energy: -153.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1633.854427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.854427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.854427 (E_RNA) where: Base-Base interactions energy: -1057.412 where: short stacking energy: -511.528 Base-Backbone interact. energy: -2.544 local terms energy: -573.899246 where: bonds (distance) C4'-P energy: -110.546 bonds (distance) P-C4' energy: -111.103 flat angles C4'-P-C4' energy: -125.755 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -154.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1596.854795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.854795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.854795 (E_RNA) where: Base-Base interactions energy: -1059.258 where: short stacking energy: -496.389 Base-Backbone interact. energy: 0.581 local terms energy: -538.177656 where: bonds (distance) C4'-P energy: -111.270 bonds (distance) P-C4' energy: -104.800 flat angles C4'-P-C4' energy: -114.967 flat angles P-C4'-P energy: -77.972 tors. eta vs tors. theta energy: -129.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1540.254779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.254779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.254779 (E_RNA) where: Base-Base interactions energy: -1042.119 where: short stacking energy: -463.961 Base-Backbone interact. energy: 3.633 local terms energy: -501.768714 where: bonds (distance) C4'-P energy: -103.863 bonds (distance) P-C4' energy: -91.762 flat angles C4'-P-C4' energy: -118.859 flat angles P-C4'-P energy: -70.942 tors. eta vs tors. theta energy: -116.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1362.144753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.144753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.144753 (E_RNA) where: Base-Base interactions energy: -891.689 where: short stacking energy: -402.271 Base-Backbone interact. energy: 0.640 local terms energy: -471.095743 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -97.301 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -97.483 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: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1385.163833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.163833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.163833 (E_RNA) where: Base-Base interactions energy: -893.907 where: short stacking energy: -380.993 Base-Backbone interact. energy: -3.492 local terms energy: -487.764864 where: bonds (distance) C4'-P energy: -99.119 bonds (distance) P-C4' energy: -90.019 flat angles C4'-P-C4' energy: -109.734 flat angles P-C4'-P energy: -85.134 tors. eta vs tors. theta energy: -103.759 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -897.308852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.308852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.308852 (E_RNA) where: Base-Base interactions energy: -515.919 where: short stacking energy: -262.011 Base-Backbone interact. energy: -0.644 local terms energy: -380.745568 where: bonds (distance) C4'-P energy: -85.710 bonds (distance) P-C4' energy: -103.062 flat angles C4'-P-C4' energy: -94.256 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -28.043 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: 9, replica: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -614.404223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.404223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.404223 (E_RNA) where: Base-Base interactions energy: -283.934 where: short stacking energy: -174.630 Base-Backbone interact. energy: -2.325 local terms energy: -328.145046 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -95.213 flat angles C4'-P-C4' energy: -96.179 flat angles P-C4'-P energy: -51.744 tors. eta vs tors. theta energy: -6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -526.785188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.785188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.785188 (E_RNA) where: Base-Base interactions energy: -235.040 where: short stacking energy: -157.434 Base-Backbone interact. energy: 0.579 local terms energy: -292.324061 where: bonds (distance) C4'-P energy: -88.446 bonds (distance) P-C4' energy: -83.052 flat angles C4'-P-C4' energy: -73.019 flat angles P-C4'-P energy: -57.895 tors. eta vs tors. theta energy: 10.088 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: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1871.894652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.894652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.894652 (E_RNA) where: Base-Base interactions energy: -1299.414 where: short stacking energy: -555.767 Base-Backbone interact. energy: -3.581 local terms energy: -568.899440 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -105.460 flat angles C4'-P-C4' energy: -125.618 flat angles P-C4'-P energy: -77.108 tors. eta vs tors. theta energy: -143.511 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: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1845.458646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.458646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.458646 (E_RNA) where: Base-Base interactions energy: -1259.592 where: short stacking energy: -564.935 Base-Backbone interact. energy: -0.936 local terms energy: -584.930606 where: bonds (distance) C4'-P energy: -89.898 bonds (distance) P-C4' energy: -115.654 flat angles C4'-P-C4' energy: -140.483 flat angles P-C4'-P energy: -80.312 tors. eta vs tors. theta energy: -158.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1637.767150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.767150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.767150 (E_RNA) where: Base-Base interactions energy: -1055.937 where: short stacking energy: -512.746 Base-Backbone interact. energy: -4.000 local terms energy: -577.830810 where: bonds (distance) C4'-P energy: -109.759 bonds (distance) P-C4' energy: -106.247 flat angles C4'-P-C4' energy: -132.680 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -153.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1578.576655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.576655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.576655 (E_RNA) where: Base-Base interactions energy: -1036.857 where: short stacking energy: -488.467 Base-Backbone interact. energy: -0.898 local terms energy: -540.822231 where: bonds (distance) C4'-P energy: -94.267 bonds (distance) P-C4' energy: -121.061 flat angles C4'-P-C4' energy: -115.858 flat angles P-C4'-P energy: -81.678 tors. eta vs tors. theta energy: -127.959 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: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1553.627413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.627413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.627413 (E_RNA) where: Base-Base interactions energy: -1007.286 where: short stacking energy: -446.618 Base-Backbone interact. energy: -1.532 local terms energy: -544.809233 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -122.300 flat angles C4'-P-C4' energy: -122.823 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: -120.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1409.968176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.968176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.968176 (E_RNA) where: Base-Base interactions energy: -947.172 where: short stacking energy: -434.182 Base-Backbone interact. energy: -3.400 local terms energy: -459.396151 where: bonds (distance) C4'-P energy: -86.504 bonds (distance) P-C4' energy: -96.391 flat angles C4'-P-C4' energy: -102.345 flat angles P-C4'-P energy: -67.619 tors. eta vs tors. theta energy: -106.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1336.401374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.401374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.401374 (E_RNA) where: Base-Base interactions energy: -884.748 where: short stacking energy: -365.527 Base-Backbone interact. energy: -0.520 local terms energy: -451.133560 where: bonds (distance) C4'-P energy: -96.176 bonds (distance) P-C4' energy: -108.784 flat angles C4'-P-C4' energy: -109.321 flat angles P-C4'-P energy: -52.861 tors. eta vs tors. theta energy: -83.991 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: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -917.334740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.334740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.334740 (E_RNA) where: Base-Base interactions energy: -542.229 where: short stacking energy: -260.558 Base-Backbone interact. energy: -3.864 local terms energy: -371.242124 where: bonds (distance) C4'-P energy: -77.174 bonds (distance) P-C4' energy: -105.533 flat angles C4'-P-C4' energy: -92.630 flat angles P-C4'-P energy: -55.479 tors. eta vs tors. theta energy: -40.426 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: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -643.999328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.999328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.999328 (E_RNA) where: Base-Base interactions energy: -304.080 where: short stacking energy: -170.805 Base-Backbone interact. energy: -4.014 local terms energy: -335.904960 where: bonds (distance) C4'-P energy: -94.122 bonds (distance) P-C4' energy: -99.230 flat angles C4'-P-C4' energy: -98.182 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: 7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -512.714843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.714843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.714843 (E_RNA) where: Base-Base interactions energy: -184.204 where: short stacking energy: -124.335 Base-Backbone interact. energy: -1.560 local terms energy: -326.950865 where: bonds (distance) C4'-P energy: -91.893 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -76.998 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: 12.088 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: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1915.820429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.820429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.820429 (E_RNA) where: Base-Base interactions energy: -1289.016 where: short stacking energy: -574.620 Base-Backbone interact. energy: -0.686 local terms energy: -626.118713 where: bonds (distance) C4'-P energy: -112.869 bonds (distance) P-C4' energy: -121.054 flat angles C4'-P-C4' energy: -135.104 flat angles P-C4'-P energy: -86.326 tors. eta vs tors. theta energy: -170.765 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: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1792.103369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.103369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.103369 (E_RNA) where: Base-Base interactions energy: -1212.231 where: short stacking energy: -548.454 Base-Backbone interact. energy: -2.620 local terms energy: -577.253250 where: bonds (distance) C4'-P energy: -109.440 bonds (distance) P-C4' energy: -116.715 flat angles C4'-P-C4' energy: -134.337 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -143.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1636.109654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.109654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.109654 (E_RNA) where: Base-Base interactions energy: -1067.364 where: short stacking energy: -495.994 Base-Backbone interact. energy: 2.097 local terms energy: -570.842131 where: bonds (distance) C4'-P energy: -114.950 bonds (distance) P-C4' energy: -104.174 flat angles C4'-P-C4' energy: -118.453 flat angles P-C4'-P energy: -83.753 tors. eta vs tors. theta energy: -149.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1574.688738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.688738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.688738 (E_RNA) where: Base-Base interactions energy: -1007.376 where: short stacking energy: -481.981 Base-Backbone interact. energy: 2.961 local terms energy: -570.273542 where: bonds (distance) C4'-P energy: -109.698 bonds (distance) P-C4' energy: -121.465 flat angles C4'-P-C4' energy: -117.015 flat angles P-C4'-P energy: -78.692 tors. eta vs tors. theta energy: -143.404 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1564.920291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.920291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.920291 (E_RNA) where: Base-Base interactions energy: -1068.750 where: short stacking energy: -472.386 Base-Backbone interact. energy: -0.540 local terms energy: -495.630540 where: bonds (distance) C4'-P energy: -94.316 bonds (distance) P-C4' energy: -94.071 flat angles C4'-P-C4' energy: -116.936 flat angles P-C4'-P energy: -66.098 tors. eta vs tors. theta energy: -124.209 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: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1355.496295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.496295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.496295 (E_RNA) where: Base-Base interactions energy: -910.508 where: short stacking energy: -401.371 Base-Backbone interact. energy: 2.085 local terms energy: -447.073282 where: bonds (distance) C4'-P energy: -99.434 bonds (distance) P-C4' energy: -87.822 flat angles C4'-P-C4' energy: -105.195 flat angles P-C4'-P energy: -54.350 tors. eta vs tors. theta energy: -100.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1335.659544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.659544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.659544 (E_RNA) where: Base-Base interactions energy: -870.613 where: short stacking energy: -373.113 Base-Backbone interact. energy: -5.177 local terms energy: -459.868595 where: bonds (distance) C4'-P energy: -80.187 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -108.482 flat angles P-C4'-P energy: -77.825 tors. eta vs tors. theta energy: -91.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -890.484898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.484898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.484898 (E_RNA) where: Base-Base interactions energy: -506.742 where: short stacking energy: -276.354 Base-Backbone interact. energy: 0.231 local terms energy: -383.973448 where: bonds (distance) C4'-P energy: -80.153 bonds (distance) P-C4' energy: -90.543 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -53.464 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: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -647.133392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.133392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.133392 (E_RNA) where: Base-Base interactions energy: -311.348 where: short stacking energy: -182.978 Base-Backbone interact. energy: 1.287 local terms energy: -337.072204 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -108.427 flat angles C4'-P-C4' energy: -99.905 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: 1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -497.609430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.609430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.609430 (E_RNA) where: Base-Base interactions energy: -195.116 where: short stacking energy: -129.643 Base-Backbone interact. energy: 1.107 local terms energy: -303.600968 where: bonds (distance) C4'-P energy: -80.832 bonds (distance) P-C4' energy: -94.010 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -54.882 tors. eta vs tors. theta energy: 30.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1905.938500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.938500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.938500 (E_RNA) where: Base-Base interactions energy: -1294.451 where: short stacking energy: -557.568 Base-Backbone interact. energy: -2.041 local terms energy: -609.446608 where: bonds (distance) C4'-P energy: -112.980 bonds (distance) P-C4' energy: -109.225 flat angles C4'-P-C4' energy: -136.810 flat angles P-C4'-P energy: -86.228 tors. eta vs tors. theta energy: -164.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1781.779928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.779928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.779928 (E_RNA) where: Base-Base interactions energy: -1228.213 where: short stacking energy: -529.704 Base-Backbone interact. energy: -2.203 local terms energy: -551.363523 where: bonds (distance) C4'-P energy: -105.021 bonds (distance) P-C4' energy: -112.452 flat angles C4'-P-C4' energy: -127.388 flat angles P-C4'-P energy: -71.883 tors. eta vs tors. theta energy: -134.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1645.471402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.471402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.471402 (E_RNA) where: Base-Base interactions energy: -1076.905 where: short stacking energy: -509.860 Base-Backbone interact. energy: -1.449 local terms energy: -567.117161 where: bonds (distance) C4'-P energy: -99.902 bonds (distance) P-C4' energy: -119.862 flat angles C4'-P-C4' energy: -122.859 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -149.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1626.819250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.819250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.819250 (E_RNA) where: Base-Base interactions energy: -1075.958 where: short stacking energy: -484.116 Base-Backbone interact. energy: 2.386 local terms energy: -553.247899 where: bonds (distance) C4'-P energy: -109.452 bonds (distance) P-C4' energy: -113.205 flat angles C4'-P-C4' energy: -118.768 flat angles P-C4'-P energy: -77.623 tors. eta vs tors. theta energy: -134.200 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: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1498.847976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.847976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.847976 (E_RNA) where: Base-Base interactions energy: -962.654 where: short stacking energy: -449.814 Base-Backbone interact. energy: 0.355 local terms energy: -536.549826 where: bonds (distance) C4'-P energy: -104.150 bonds (distance) P-C4' energy: -105.104 flat angles C4'-P-C4' energy: -120.737 flat angles P-C4'-P energy: -75.016 tors. eta vs tors. theta energy: -131.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1355.617905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.617905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.617905 (E_RNA) where: Base-Base interactions energy: -877.220 where: short stacking energy: -393.745 Base-Backbone interact. energy: -0.419 local terms energy: -477.978414 where: bonds (distance) C4'-P energy: -100.297 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -107.388 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -97.686 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: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1282.058066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.058066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.058066 (E_RNA) where: Base-Base interactions energy: -830.598 where: short stacking energy: -372.237 Base-Backbone interact. energy: -2.615 local terms energy: -448.845139 where: bonds (distance) C4'-P energy: -98.023 bonds (distance) P-C4' energy: -105.111 flat angles C4'-P-C4' energy: -106.273 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -91.061 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: 101 Temperature: 1.250000 Total energy: -883.383340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.383340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.383340 (E_RNA) where: Base-Base interactions energy: -515.047 where: short stacking energy: -271.697 Base-Backbone interact. energy: -0.251 local terms energy: -368.085591 where: bonds (distance) C4'-P energy: -93.994 bonds (distance) P-C4' energy: -92.824 flat angles C4'-P-C4' energy: -78.019 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -40.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -650.179113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.179113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.179113 (E_RNA) where: Base-Base interactions energy: -302.333 where: short stacking energy: -191.339 Base-Backbone interact. energy: 3.515 local terms energy: -351.360790 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -104.646 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -59.093 tors. eta vs tors. theta energy: -7.193 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: 101 Temperature: 1.350000 Total energy: -498.980601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.980601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.980601 (E_RNA) where: Base-Base interactions energy: -201.002 where: short stacking energy: -142.301 Base-Backbone interact. energy: 0.621 local terms energy: -298.599693 where: bonds (distance) C4'-P energy: -94.237 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -77.850 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: 17.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1908.764988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.764988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.764988 (E_RNA) where: Base-Base interactions energy: -1285.009 where: short stacking energy: -578.277 Base-Backbone interact. energy: -0.627 local terms energy: -623.128777 where: bonds (distance) C4'-P energy: -118.161 bonds (distance) P-C4' energy: -117.741 flat angles C4'-P-C4' energy: -128.379 flat angles P-C4'-P energy: -88.087 tors. eta vs tors. theta energy: -170.761 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: 102 Temperature: 0.950000 Total energy: -1796.853130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.853130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.853130 (E_RNA) where: Base-Base interactions energy: -1225.016 where: short stacking energy: -518.455 Base-Backbone interact. energy: -0.629 local terms energy: -571.207979 where: bonds (distance) C4'-P energy: -119.438 bonds (distance) P-C4' energy: -112.417 flat angles C4'-P-C4' energy: -131.730 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -135.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1671.840881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.840881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.840881 (E_RNA) where: Base-Base interactions energy: -1113.257 where: short stacking energy: -505.741 Base-Backbone interact. energy: -3.401 local terms energy: -555.183085 where: bonds (distance) C4'-P energy: -102.824 bonds (distance) P-C4' energy: -104.400 flat angles C4'-P-C4' energy: -121.158 flat angles P-C4'-P energy: -89.202 tors. eta vs tors. theta energy: -137.600 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: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1569.749215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.749215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.749215 (E_RNA) where: Base-Base interactions energy: -1018.883 where: short stacking energy: -466.883 Base-Backbone interact. energy: 2.243 local terms energy: -553.109546 where: bonds (distance) C4'-P energy: -112.301 bonds (distance) P-C4' energy: -115.395 flat angles C4'-P-C4' energy: -114.480 flat angles P-C4'-P energy: -78.998 tors. eta vs tors. theta energy: -131.936 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: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1476.876696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.876696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.876696 (E_RNA) where: Base-Base interactions energy: -980.754 where: short stacking energy: -470.530 Base-Backbone interact. energy: -1.452 local terms energy: -494.670003 where: bonds (distance) C4'-P energy: -92.640 bonds (distance) P-C4' energy: -105.957 flat angles C4'-P-C4' energy: -106.375 flat angles P-C4'-P energy: -64.742 tors. eta vs tors. theta energy: -124.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1415.782493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.782493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.782493 (E_RNA) where: Base-Base interactions energy: -921.722 where: short stacking energy: -419.461 Base-Backbone interact. energy: -1.086 local terms energy: -492.973921 where: bonds (distance) C4'-P energy: -109.264 bonds (distance) P-C4' energy: -104.840 flat angles C4'-P-C4' energy: -108.424 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -104.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1347.958413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.958413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.958413 (E_RNA) where: Base-Base interactions energy: -871.639 where: short stacking energy: -379.245 Base-Backbone interact. energy: 0.169 local terms energy: -476.488211 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -102.603 flat angles C4'-P-C4' energy: -104.509 flat angles P-C4'-P energy: -82.144 tors. eta vs tors. theta energy: -84.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -887.626491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.626491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.626491 (E_RNA) where: Base-Base interactions energy: -517.377 where: short stacking energy: -261.606 Base-Backbone interact. energy: -2.216 local terms energy: -368.033280 where: bonds (distance) C4'-P energy: -93.593 bonds (distance) P-C4' energy: -102.740 flat angles C4'-P-C4' energy: -81.337 flat angles P-C4'-P energy: -55.463 tors. eta vs tors. theta energy: -34.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -607.935624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.935624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.935624 (E_RNA) where: Base-Base interactions energy: -298.536 where: short stacking energy: -186.896 Base-Backbone interact. energy: -0.303 local terms energy: -309.096537 where: bonds (distance) C4'-P energy: -92.797 bonds (distance) P-C4' energy: -88.068 flat angles C4'-P-C4' energy: -79.730 flat angles P-C4'-P energy: -40.589 tors. eta vs tors. theta energy: -7.912 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: 102 Temperature: 1.350000 Total energy: -504.156875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.156875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.156875 (E_RNA) where: Base-Base interactions energy: -217.369 where: short stacking energy: -158.054 Base-Backbone interact. energy: 0.380 local terms energy: -287.167871 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -94.548 flat angles P-C4'-P energy: -20.403 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1923.495872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.495872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.495872 (E_RNA) where: Base-Base interactions energy: -1281.427 where: short stacking energy: -582.935 Base-Backbone interact. energy: -1.237 local terms energy: -640.831735 where: bonds (distance) C4'-P energy: -121.860 bonds (distance) P-C4' energy: -115.880 flat angles C4'-P-C4' energy: -127.584 flat angles P-C4'-P energy: -98.391 tors. eta vs tors. theta energy: -177.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1793.969189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.969189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.969189 (E_RNA) where: Base-Base interactions energy: -1211.497 where: short stacking energy: -494.217 Base-Backbone interact. energy: -3.089 local terms energy: -579.383439 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -119.553 flat angles C4'-P-C4' energy: -129.162 flat angles P-C4'-P energy: -80.199 tors. eta vs tors. theta energy: -138.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1750.160191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.160191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.160191 (E_RNA) where: Base-Base interactions energy: -1161.073 where: short stacking energy: -526.373 Base-Backbone interact. energy: -2.603 local terms energy: -586.483677 where: bonds (distance) C4'-P energy: -119.088 bonds (distance) P-C4' energy: -111.631 flat angles C4'-P-C4' energy: -121.823 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -146.819 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: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1593.451864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.451864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.451864 (E_RNA) where: Base-Base interactions energy: -1041.968 where: short stacking energy: -477.460 Base-Backbone interact. energy: 0.341 local terms energy: -551.824916 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -118.279 flat angles C4'-P-C4' energy: -120.352 flat angles P-C4'-P energy: -70.480 tors. eta vs tors. theta energy: -141.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1507.139034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.139034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.139034 (E_RNA) where: Base-Base interactions energy: -982.637 where: short stacking energy: -481.401 Base-Backbone interact. energy: -4.372 local terms energy: -520.129300 where: bonds (distance) C4'-P energy: -107.939 bonds (distance) P-C4' energy: -105.003 flat angles C4'-P-C4' energy: -104.709 flat angles P-C4'-P energy: -72.203 tors. eta vs tors. theta energy: -130.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1334.368087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.368087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.368087 (E_RNA) where: Base-Base interactions energy: -850.253 where: short stacking energy: -371.458 Base-Backbone interact. energy: -0.324 local terms energy: -483.791520 where: bonds (distance) C4'-P energy: -107.966 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -109.076 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -91.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1345.907079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.907079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.907079 (E_RNA) where: Base-Base interactions energy: -878.148 where: short stacking energy: -412.798 Base-Backbone interact. energy: 0.214 local terms energy: -467.973417 where: bonds (distance) C4'-P energy: -84.741 bonds (distance) P-C4' energy: -97.239 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -104.261 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: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -919.276692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.276692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.276692 (E_RNA) where: Base-Base interactions energy: -521.734 where: short stacking energy: -249.637 Base-Backbone interact. energy: -1.941 local terms energy: -395.601651 where: bonds (distance) C4'-P energy: -96.790 bonds (distance) P-C4' energy: -117.777 flat angles C4'-P-C4' energy: -84.556 flat angles P-C4'-P energy: -62.510 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: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -617.951296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.951296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.951296 (E_RNA) where: Base-Base interactions energy: -289.175 where: short stacking energy: -180.973 Base-Backbone interact. energy: -0.296 local terms energy: -328.480796 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -103.092 flat angles C4'-P-C4' energy: -71.893 flat angles P-C4'-P energy: -54.339 tors. eta vs tors. theta energy: 2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -457.587649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.587649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.587649 (E_RNA) where: Base-Base interactions energy: -180.325 where: short stacking energy: -145.825 Base-Backbone interact. energy: -1.718 local terms energy: -275.544579 where: bonds (distance) C4'-P energy: -102.082 bonds (distance) P-C4' energy: -104.934 flat angles C4'-P-C4' energy: -62.543 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: 34.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1910.043277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.043277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.043277 (E_RNA) where: Base-Base interactions energy: -1310.846 where: short stacking energy: -570.708 Base-Backbone interact. energy: 3.027 local terms energy: -602.224951 where: bonds (distance) C4'-P energy: -110.915 bonds (distance) P-C4' energy: -120.901 flat angles C4'-P-C4' energy: -124.865 flat angles P-C4'-P energy: -81.163 tors. eta vs tors. theta energy: -164.382 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: 104 Temperature: 0.950000 Total energy: -1772.304525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.304525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.304525 (E_RNA) where: Base-Base interactions energy: -1222.278 where: short stacking energy: -530.477 Base-Backbone interact. energy: -2.269 local terms energy: -547.757694 where: bonds (distance) C4'-P energy: -109.519 bonds (distance) P-C4' energy: -106.716 flat angles C4'-P-C4' energy: -123.469 flat angles P-C4'-P energy: -71.432 tors. eta vs tors. theta energy: -136.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1714.286420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.286420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.286420 (E_RNA) where: Base-Base interactions energy: -1150.695 where: short stacking energy: -497.772 Base-Backbone interact. energy: -3.205 local terms energy: -560.386746 where: bonds (distance) C4'-P energy: -101.988 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -125.906 flat angles P-C4'-P energy: -74.682 tors. eta vs tors. theta energy: -148.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1560.121792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.121792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.121792 (E_RNA) where: Base-Base interactions energy: -1004.796 where: short stacking energy: -496.768 Base-Backbone interact. energy: -0.497 local terms energy: -554.829454 where: bonds (distance) C4'-P energy: -98.262 bonds (distance) P-C4' energy: -114.683 flat angles C4'-P-C4' energy: -126.811 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -140.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1512.888686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.888686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.888686 (E_RNA) where: Base-Base interactions energy: -993.452 where: short stacking energy: -456.224 Base-Backbone interact. energy: -0.599 local terms energy: -518.837688 where: bonds (distance) C4'-P energy: -110.867 bonds (distance) P-C4' energy: -102.717 flat angles C4'-P-C4' energy: -119.247 flat angles P-C4'-P energy: -69.662 tors. eta vs tors. theta energy: -116.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1327.301242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.301242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.301242 (E_RNA) where: Base-Base interactions energy: -829.802 where: short stacking energy: -383.012 Base-Backbone interact. energy: -1.882 local terms energy: -495.617898 where: bonds (distance) C4'-P energy: -94.173 bonds (distance) P-C4' energy: -101.349 flat angles C4'-P-C4' energy: -118.400 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: -100.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1255.527285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.527285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.527285 (E_RNA) where: Base-Base interactions energy: -787.872 where: short stacking energy: -352.402 Base-Backbone interact. energy: 3.183 local terms energy: -470.838693 where: bonds (distance) C4'-P energy: -107.594 bonds (distance) P-C4' energy: -97.169 flat angles C4'-P-C4' energy: -110.786 flat angles P-C4'-P energy: -70.731 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: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -906.091009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.091009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.091009 (E_RNA) where: Base-Base interactions energy: -547.481 where: short stacking energy: -271.133 Base-Backbone interact. energy: -1.192 local terms energy: -357.417959 where: bonds (distance) C4'-P energy: -94.972 bonds (distance) P-C4' energy: -86.944 flat angles C4'-P-C4' energy: -83.203 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: -39.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -659.662951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.662951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.662951 (E_RNA) where: Base-Base interactions energy: -333.104 where: short stacking energy: -167.880 Base-Backbone interact. energy: 2.615 local terms energy: -329.173741 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -97.858 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -60.815 tors. eta vs tors. theta energy: 9.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -480.680409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.680409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.680409 (E_RNA) where: Base-Base interactions energy: -208.966 where: short stacking energy: -146.379 Base-Backbone interact. energy: 0.283 local terms energy: -271.996643 where: bonds (distance) C4'-P energy: -82.265 bonds (distance) P-C4' energy: -88.008 flat angles C4'-P-C4' energy: -71.046 flat angles P-C4'-P energy: -40.510 tors. eta vs tors. theta energy: 9.832 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: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1929.191965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.191965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.191965 (E_RNA) where: Base-Base interactions energy: -1320.819 where: short stacking energy: -586.217 Base-Backbone interact. energy: -2.062 local terms energy: -606.311207 where: bonds (distance) C4'-P energy: -103.772 bonds (distance) P-C4' energy: -119.770 flat angles C4'-P-C4' energy: -126.755 flat angles P-C4'-P energy: -89.875 tors. eta vs tors. theta energy: -166.140 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: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1829.668851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.668851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.668851 (E_RNA) where: Base-Base interactions energy: -1244.968 where: short stacking energy: -526.065 Base-Backbone interact. energy: 0.993 local terms energy: -585.692957 where: bonds (distance) C4'-P energy: -120.858 bonds (distance) P-C4' energy: -118.286 flat angles C4'-P-C4' energy: -120.851 flat angles P-C4'-P energy: -79.002 tors. eta vs tors. theta energy: -146.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1749.138489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.138489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.138489 (E_RNA) where: Base-Base interactions energy: -1176.295 where: short stacking energy: -540.244 Base-Backbone interact. energy: -1.554 local terms energy: -571.290124 where: bonds (distance) C4'-P energy: -98.905 bonds (distance) P-C4' energy: -117.780 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -153.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1520.611373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.611373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.611373 (E_RNA) where: Base-Base interactions energy: -990.105 where: short stacking energy: -483.083 Base-Backbone interact. energy: -0.394 local terms energy: -530.111506 where: bonds (distance) C4'-P energy: -106.943 bonds (distance) P-C4' energy: -101.265 flat angles C4'-P-C4' energy: -120.274 flat angles P-C4'-P energy: -70.160 tors. eta vs tors. theta energy: -131.470 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: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1529.323223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.323223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.323223 (E_RNA) where: Base-Base interactions energy: -999.786 where: short stacking energy: -460.176 Base-Backbone interact. energy: 0.684 local terms energy: -530.221101 where: bonds (distance) C4'-P energy: -109.027 bonds (distance) P-C4' energy: -115.689 flat angles C4'-P-C4' energy: -119.772 flat angles P-C4'-P energy: -59.290 tors. eta vs tors. theta energy: -126.443 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: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1351.808986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.808986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.808986 (E_RNA) where: Base-Base interactions energy: -859.488 where: short stacking energy: -408.342 Base-Backbone interact. energy: 0.953 local terms energy: -493.273522 where: bonds (distance) C4'-P energy: -93.935 bonds (distance) P-C4' energy: -114.050 flat angles C4'-P-C4' energy: -115.305 flat angles P-C4'-P energy: -65.698 tors. eta vs tors. theta energy: -104.285 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: 105 Temperature: 1.200000 Total energy: -1257.556022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.556022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.556022 (E_RNA) where: Base-Base interactions energy: -809.922 where: short stacking energy: -361.388 Base-Backbone interact. energy: -0.912 local terms energy: -446.721691 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -99.604 flat angles C4'-P-C4' energy: -113.390 flat angles P-C4'-P energy: -60.376 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: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -906.542166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.542166 (E_RNA) where: Base-Base interactions energy: -522.358 where: short stacking energy: -263.298 Base-Backbone interact. energy: -2.256 local terms energy: -381.928248 where: bonds (distance) C4'-P energy: -85.044 bonds (distance) P-C4' energy: -93.964 flat angles C4'-P-C4' energy: -104.841 flat angles P-C4'-P energy: -67.862 tors. eta vs tors. theta energy: -30.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -618.218753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.218753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.218753 (E_RNA) where: Base-Base interactions energy: -273.407 where: short stacking energy: -187.998 Base-Backbone interact. energy: 3.491 local terms energy: -348.302863 where: bonds (distance) C4'-P energy: -94.335 bonds (distance) P-C4' energy: -94.067 flat angles C4'-P-C4' energy: -85.055 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -23.394 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: 105 Temperature: 1.350000 Total energy: -477.359385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.359385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.359385 (E_RNA) where: Base-Base interactions energy: -179.308 where: short stacking energy: -140.661 Base-Backbone interact. energy: 1.506 local terms energy: -299.557603 where: bonds (distance) C4'-P energy: -92.689 bonds (distance) P-C4' energy: -79.931 flat angles C4'-P-C4' energy: -84.662 flat angles P-C4'-P energy: -61.436 tors. eta vs tors. theta energy: 19.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1891.905323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.905323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.905323 (E_RNA) where: Base-Base interactions energy: -1288.822 where: short stacking energy: -555.457 Base-Backbone interact. energy: -2.371 local terms energy: -600.711706 where: bonds (distance) C4'-P energy: -116.205 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -138.244 flat angles P-C4'-P energy: -74.134 tors. eta vs tors. theta energy: -165.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1820.434197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.434197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.434197 (E_RNA) where: Base-Base interactions energy: -1244.199 where: short stacking energy: -527.520 Base-Backbone interact. energy: -1.553 local terms energy: -574.682406 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -116.901 flat angles C4'-P-C4' energy: -121.319 flat angles P-C4'-P energy: -76.303 tors. eta vs tors. theta energy: -149.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1739.323187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.323187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.323187 (E_RNA) where: Base-Base interactions energy: -1172.678 where: short stacking energy: -505.958 Base-Backbone interact. energy: -0.573 local terms energy: -566.072044 where: bonds (distance) C4'-P energy: -104.511 bonds (distance) P-C4' energy: -110.308 flat angles C4'-P-C4' energy: -118.567 flat angles P-C4'-P energy: -84.776 tors. eta vs tors. theta energy: -147.909 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: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1570.638648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.638648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.638648 (E_RNA) where: Base-Base interactions energy: -1046.183 where: short stacking energy: -473.936 Base-Backbone interact. energy: -2.429 local terms energy: -522.026985 where: bonds (distance) C4'-P energy: -96.434 bonds (distance) P-C4' energy: -89.271 flat angles C4'-P-C4' energy: -116.869 flat angles P-C4'-P energy: -81.801 tors. eta vs tors. theta energy: -137.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1544.884138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.884138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.884138 (E_RNA) where: Base-Base interactions energy: -1016.290 where: short stacking energy: -488.893 Base-Backbone interact. energy: -1.057 local terms energy: -527.536699 where: bonds (distance) C4'-P energy: -86.698 bonds (distance) P-C4' energy: -108.821 flat angles C4'-P-C4' energy: -114.599 flat angles P-C4'-P energy: -78.300 tors. eta vs tors. theta energy: -139.119 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: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1391.175571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.175571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.175571 (E_RNA) where: Base-Base interactions energy: -905.331 where: short stacking energy: -405.527 Base-Backbone interact. energy: -2.357 local terms energy: -483.487354 where: bonds (distance) C4'-P energy: -105.803 bonds (distance) P-C4' energy: -96.857 flat angles C4'-P-C4' energy: -114.244 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -96.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1175.374257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.374257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.374257 (E_RNA) where: Base-Base interactions energy: -732.747 where: short stacking energy: -332.357 Base-Backbone interact. energy: -0.795 local terms energy: -441.832801 where: bonds (distance) C4'-P energy: -96.028 bonds (distance) P-C4' energy: -104.912 flat angles C4'-P-C4' energy: -111.984 flat angles P-C4'-P energy: -72.946 tors. eta vs tors. theta energy: -55.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -904.530237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.530237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.530237 (E_RNA) where: Base-Base interactions energy: -505.481 where: short stacking energy: -254.162 Base-Backbone interact. energy: 1.738 local terms energy: -400.787260 where: bonds (distance) C4'-P energy: -99.699 bonds (distance) P-C4' energy: -93.999 flat angles C4'-P-C4' energy: -115.459 flat angles P-C4'-P energy: -58.655 tors. eta vs tors. theta energy: -32.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -586.572328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.572328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.572328 (E_RNA) where: Base-Base interactions energy: -289.410 where: short stacking energy: -164.832 Base-Backbone interact. energy: -0.835 local terms energy: -296.327037 where: bonds (distance) C4'-P energy: -82.477 bonds (distance) P-C4' energy: -82.847 flat angles C4'-P-C4' energy: -89.807 flat angles P-C4'-P energy: -50.781 tors. eta vs tors. theta energy: 9.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -478.526320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.526320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.526320 (E_RNA) where: Base-Base interactions energy: -186.082 where: short stacking energy: -129.358 Base-Backbone interact. energy: 1.571 local terms energy: -294.015254 where: bonds (distance) C4'-P energy: -82.980 bonds (distance) P-C4' energy: -103.100 flat angles C4'-P-C4' energy: -86.381 flat angles P-C4'-P energy: -38.728 tors. eta vs tors. theta energy: 17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1914.346434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.346434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.346434 (E_RNA) where: Base-Base interactions energy: -1320.007 where: short stacking energy: -571.440 Base-Backbone interact. energy: -0.477 local terms energy: -593.862916 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -109.695 flat angles C4'-P-C4' energy: -122.043 flat angles P-C4'-P energy: -78.120 tors. eta vs tors. theta energy: -168.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1818.619005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.619005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.619005 (E_RNA) where: Base-Base interactions energy: -1255.636 where: short stacking energy: -521.171 Base-Backbone interact. energy: -2.945 local terms energy: -560.037735 where: bonds (distance) C4'-P energy: -120.190 bonds (distance) P-C4' energy: -107.788 flat angles C4'-P-C4' energy: -113.271 flat angles P-C4'-P energy: -81.200 tors. eta vs tors. theta energy: -137.590 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: 107 Temperature: 1.000000 Total energy: -1737.779042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.779042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.779042 (E_RNA) where: Base-Base interactions energy: -1171.228 where: short stacking energy: -518.631 Base-Backbone interact. energy: -1.971 local terms energy: -564.580370 where: bonds (distance) C4'-P energy: -111.001 bonds (distance) P-C4' energy: -122.892 flat angles C4'-P-C4' energy: -112.922 flat angles P-C4'-P energy: -73.839 tors. eta vs tors. theta energy: -143.927 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: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1592.329080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.329080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.329080 (E_RNA) where: Base-Base interactions energy: -1037.416 where: short stacking energy: -479.277 Base-Backbone interact. energy: 1.350 local terms energy: -556.262937 where: bonds (distance) C4'-P energy: -106.895 bonds (distance) P-C4' energy: -110.930 flat angles C4'-P-C4' energy: -116.755 flat angles P-C4'-P energy: -88.441 tors. eta vs tors. theta energy: -133.242 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: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1492.485220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.485220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.485220 (E_RNA) where: Base-Base interactions energy: -1013.778 where: short stacking energy: -445.276 Base-Backbone interact. energy: -1.614 local terms energy: -477.092572 where: bonds (distance) C4'-P energy: -106.626 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -100.631 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -103.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1442.994540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.994540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.994540 (E_RNA) where: Base-Base interactions energy: -946.951 where: short stacking energy: -424.600 Base-Backbone interact. energy: 0.310 local terms energy: -496.353322 where: bonds (distance) C4'-P energy: -108.667 bonds (distance) P-C4' energy: -112.012 flat angles C4'-P-C4' energy: -111.905 flat angles P-C4'-P energy: -51.906 tors. eta vs tors. theta energy: -111.863 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: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1204.888297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.888297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.888297 (E_RNA) where: Base-Base interactions energy: -795.636 where: short stacking energy: -358.834 Base-Backbone interact. energy: 3.536 local terms energy: -412.788563 where: bonds (distance) C4'-P energy: -88.093 bonds (distance) P-C4' energy: -105.807 flat angles C4'-P-C4' energy: -103.975 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -66.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -919.073846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.073846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.073846 (E_RNA) where: Base-Base interactions energy: -516.202 where: short stacking energy: -273.563 Base-Backbone interact. energy: 1.438 local terms energy: -404.309845 where: bonds (distance) C4'-P energy: -93.967 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -96.550 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -49.723 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: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -656.508128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.508128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.508128 (E_RNA) where: Base-Base interactions energy: -318.068 where: short stacking energy: -180.316 Base-Backbone interact. energy: -2.249 local terms energy: -336.191475 where: bonds (distance) C4'-P energy: -107.615 bonds (distance) P-C4' energy: -91.303 flat angles C4'-P-C4' energy: -66.303 flat angles P-C4'-P energy: -53.328 tors. eta vs tors. theta energy: -17.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -472.325538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.325538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.325538 (E_RNA) where: Base-Base interactions energy: -157.674 where: short stacking energy: -131.684 Base-Backbone interact. energy: -2.170 local terms energy: -312.481490 where: bonds (distance) C4'-P energy: -82.645 bonds (distance) P-C4' energy: -111.025 flat angles C4'-P-C4' energy: -88.160 flat angles P-C4'-P energy: -51.609 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: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1888.915186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.915186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.915186 (E_RNA) where: Base-Base interactions energy: -1285.705 where: short stacking energy: -563.889 Base-Backbone interact. energy: 0.741 local terms energy: -603.950855 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -99.593 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -79.761 tors. eta vs tors. theta energy: -171.147 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: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1775.200476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.200476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.200476 (E_RNA) where: Base-Base interactions energy: -1205.093 where: short stacking energy: -515.568 Base-Backbone interact. energy: -5.741 local terms energy: -564.366813 where: bonds (distance) C4'-P energy: -104.794 bonds (distance) P-C4' energy: -121.562 flat angles C4'-P-C4' energy: -121.884 flat angles P-C4'-P energy: -92.583 tors. eta vs tors. theta energy: -123.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1747.458813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.458813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.458813 (E_RNA) where: Base-Base interactions energy: -1173.228 where: short stacking energy: -502.682 Base-Backbone interact. energy: -2.329 local terms energy: -571.902297 where: bonds (distance) C4'-P energy: -111.226 bonds (distance) P-C4' energy: -104.621 flat angles C4'-P-C4' energy: -125.452 flat angles P-C4'-P energy: -83.643 tors. eta vs tors. theta energy: -146.961 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: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1542.079679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.079679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.079679 (E_RNA) where: Base-Base interactions energy: -1020.237 where: short stacking energy: -467.801 Base-Backbone interact. energy: -1.828 local terms energy: -520.014320 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -104.467 flat angles C4'-P-C4' energy: -102.628 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -132.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1522.831023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.831023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.831023 (E_RNA) where: Base-Base interactions energy: -989.405 where: short stacking energy: -460.423 Base-Backbone interact. energy: -1.666 local terms energy: -531.760351 where: bonds (distance) C4'-P energy: -108.432 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -124.899 flat angles P-C4'-P energy: -70.105 tors. eta vs tors. theta energy: -124.637 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: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1419.265632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.265632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.265632 (E_RNA) where: Base-Base interactions energy: -939.847 where: short stacking energy: -429.862 Base-Backbone interact. energy: 5.020 local terms energy: -484.438672 where: bonds (distance) C4'-P energy: -103.098 bonds (distance) P-C4' energy: -101.075 flat angles C4'-P-C4' energy: -116.701 flat angles P-C4'-P energy: -64.831 tors. eta vs tors. theta energy: -98.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1243.394488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.394488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.394488 (E_RNA) where: Base-Base interactions energy: -818.105 where: short stacking energy: -357.705 Base-Backbone interact. energy: 0.266 local terms energy: -425.555084 where: bonds (distance) C4'-P energy: -89.243 bonds (distance) P-C4' energy: -102.170 flat angles C4'-P-C4' energy: -104.484 flat angles P-C4'-P energy: -47.901 tors. eta vs tors. theta energy: -81.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -949.046343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.046343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.046343 (E_RNA) where: Base-Base interactions energy: -539.326 where: short stacking energy: -258.745 Base-Backbone interact. energy: -0.922 local terms energy: -408.798169 where: bonds (distance) C4'-P energy: -112.370 bonds (distance) P-C4' energy: -110.680 flat angles C4'-P-C4' energy: -102.167 flat angles P-C4'-P energy: -57.478 tors. eta vs tors. theta energy: -26.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -641.757238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.757238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.757238 (E_RNA) where: Base-Base interactions energy: -291.604 where: short stacking energy: -181.443 Base-Backbone interact. energy: -1.499 local terms energy: -348.654311 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -109.456 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -35.344 tors. eta vs tors. theta energy: -12.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -448.233002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.233002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.233002 (E_RNA) where: Base-Base interactions energy: -150.293 where: short stacking energy: -127.081 Base-Backbone interact. energy: -3.128 local terms energy: -294.812394 where: bonds (distance) C4'-P energy: -101.938 bonds (distance) P-C4' energy: -95.742 flat angles C4'-P-C4' energy: -84.146 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: 17.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1896.721430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.721430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.721430 (E_RNA) where: Base-Base interactions energy: -1313.640 where: short stacking energy: -566.575 Base-Backbone interact. energy: -1.105 local terms energy: -581.976640 where: bonds (distance) C4'-P energy: -95.655 bonds (distance) P-C4' energy: -114.594 flat angles C4'-P-C4' energy: -130.176 flat angles P-C4'-P energy: -88.587 tors. eta vs tors. theta energy: -152.965 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: 109 Temperature: 0.950000 Total energy: -1795.770269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.770269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.770269 (E_RNA) where: Base-Base interactions energy: -1200.285 where: short stacking energy: -518.722 Base-Backbone interact. energy: -1.779 local terms energy: -593.706001 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -132.776 flat angles P-C4'-P energy: -81.261 tors. eta vs tors. theta energy: -148.039 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: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1744.323227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.323227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.323227 (E_RNA) where: Base-Base interactions energy: -1172.619 where: short stacking energy: -513.714 Base-Backbone interact. energy: -3.681 local terms energy: -568.024101 where: bonds (distance) C4'-P energy: -113.360 bonds (distance) P-C4' energy: -107.054 flat angles C4'-P-C4' energy: -125.990 flat angles P-C4'-P energy: -77.710 tors. eta vs tors. theta energy: -143.909 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: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1576.406033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.406033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.406033 (E_RNA) where: Base-Base interactions energy: -1016.126 where: short stacking energy: -475.763 Base-Backbone interact. energy: -0.764 local terms energy: -559.516573 where: bonds (distance) C4'-P energy: -100.173 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -127.433 flat angles P-C4'-P energy: -83.569 tors. eta vs tors. theta energy: -132.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1524.639250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.639250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.639250 (E_RNA) where: Base-Base interactions energy: -978.798 where: short stacking energy: -454.701 Base-Backbone interact. energy: -0.425 local terms energy: -545.416415 where: bonds (distance) C4'-P energy: -103.669 bonds (distance) P-C4' energy: -128.354 flat angles C4'-P-C4' energy: -102.450 flat angles P-C4'-P energy: -77.908 tors. eta vs tors. theta energy: -133.035 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: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1412.947968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.947968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.947968 (E_RNA) where: Base-Base interactions energy: -897.768 where: short stacking energy: -391.111 Base-Backbone interact. energy: -2.798 local terms energy: -512.381538 where: bonds (distance) C4'-P energy: -96.587 bonds (distance) P-C4' energy: -104.092 flat angles C4'-P-C4' energy: -121.476 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -110.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1232.316077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.316077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.316077 (E_RNA) where: Base-Base interactions energy: -796.844 where: short stacking energy: -362.858 Base-Backbone interact. energy: 0.709 local terms energy: -436.180570 where: bonds (distance) C4'-P energy: -95.118 bonds (distance) P-C4' energy: -96.168 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -67.044 tors. eta vs tors. theta energy: -73.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -932.800507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.800507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.800507 (E_RNA) where: Base-Base interactions energy: -541.425 where: short stacking energy: -241.748 Base-Backbone interact. energy: -0.370 local terms energy: -391.005538 where: bonds (distance) C4'-P energy: -117.288 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -96.629 flat angles P-C4'-P energy: -60.246 tors. eta vs tors. theta energy: -31.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -622.817912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.817912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.817912 (E_RNA) where: Base-Base interactions energy: -298.923 where: short stacking energy: -194.209 Base-Backbone interact. energy: 1.061 local terms energy: -324.956262 where: bonds (distance) C4'-P energy: -109.160 bonds (distance) P-C4' energy: -78.249 flat angles C4'-P-C4' energy: -77.257 flat angles P-C4'-P energy: -55.801 tors. eta vs tors. theta energy: -4.489 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: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -499.405124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.405124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.405124 (E_RNA) where: Base-Base interactions energy: -223.477 where: short stacking energy: -145.923 Base-Backbone interact. energy: -0.637 local terms energy: -275.291237 where: bonds (distance) C4'-P energy: -87.960 bonds (distance) P-C4' energy: -96.343 flat angles C4'-P-C4' energy: -74.462 flat angles P-C4'-P energy: -35.619 tors. eta vs tors. theta energy: 19.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1910.907343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.907343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.907343 (E_RNA) where: Base-Base interactions energy: -1302.733 where: short stacking energy: -555.444 Base-Backbone interact. energy: 4.826 local terms energy: -612.999594 where: bonds (distance) C4'-P energy: -104.368 bonds (distance) P-C4' energy: -113.305 flat angles C4'-P-C4' energy: -137.435 flat angles P-C4'-P energy: -89.152 tors. eta vs tors. theta energy: -168.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1768.188390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.188390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.188390 (E_RNA) where: Base-Base interactions energy: -1197.334 where: short stacking energy: -505.904 Base-Backbone interact. energy: -2.909 local terms energy: -567.945636 where: bonds (distance) C4'-P energy: -118.849 bonds (distance) P-C4' energy: -110.616 flat angles C4'-P-C4' energy: -135.035 flat angles P-C4'-P energy: -69.176 tors. eta vs tors. theta energy: -134.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1763.483483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.483483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.483483 (E_RNA) where: Base-Base interactions energy: -1196.457 where: short stacking energy: -524.127 Base-Backbone interact. energy: -3.305 local terms energy: -563.721081 where: bonds (distance) C4'-P energy: -102.569 bonds (distance) P-C4' energy: -124.606 flat angles C4'-P-C4' energy: -119.657 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -143.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1587.716867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.716867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.716867 (E_RNA) where: Base-Base interactions energy: -1040.899 where: short stacking energy: -468.295 Base-Backbone interact. energy: -1.446 local terms energy: -545.372582 where: bonds (distance) C4'-P energy: -109.185 bonds (distance) P-C4' energy: -95.838 flat angles C4'-P-C4' energy: -121.084 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: -140.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1549.776576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.776576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.776576 (E_RNA) where: Base-Base interactions energy: -1043.692 where: short stacking energy: -463.834 Base-Backbone interact. energy: 0.380 local terms energy: -506.465283 where: bonds (distance) C4'-P energy: -89.667 bonds (distance) P-C4' energy: -105.334 flat angles C4'-P-C4' energy: -108.441 flat angles P-C4'-P energy: -78.993 tors. eta vs tors. theta energy: -124.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1426.832395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.832395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.832395 (E_RNA) where: Base-Base interactions energy: -946.711 where: short stacking energy: -404.668 Base-Backbone interact. energy: -1.884 local terms energy: -478.237660 where: bonds (distance) C4'-P energy: -99.100 bonds (distance) P-C4' energy: -113.498 flat angles C4'-P-C4' energy: -90.764 flat angles P-C4'-P energy: -69.446 tors. eta vs tors. theta energy: -105.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1276.205284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.205284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.205284 (E_RNA) where: Base-Base interactions energy: -812.049 where: short stacking energy: -354.554 Base-Backbone interact. energy: -1.162 local terms energy: -462.994259 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -98.446 flat angles C4'-P-C4' energy: -113.299 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -83.310 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: 110 Temperature: 1.250000 Total energy: -924.333522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.333522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.333522 (E_RNA) where: Base-Base interactions energy: -504.547 where: short stacking energy: -271.333 Base-Backbone interact. energy: -1.995 local terms energy: -417.791554 where: bonds (distance) C4'-P energy: -94.663 bonds (distance) P-C4' energy: -101.100 flat angles C4'-P-C4' energy: -106.940 flat angles P-C4'-P energy: -76.632 tors. eta vs tors. theta energy: -38.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -643.574271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.574271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.574271 (E_RNA) where: Base-Base interactions energy: -304.590 where: short stacking energy: -211.905 Base-Backbone interact. energy: -3.261 local terms energy: -335.723185 where: bonds (distance) C4'-P energy: -99.387 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -95.437 flat angles P-C4'-P energy: -54.192 tors. eta vs tors. theta energy: 3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -451.406593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.406593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.406593 (E_RNA) where: Base-Base interactions energy: -159.561 where: short stacking energy: -118.231 Base-Backbone interact. energy: -1.292 local terms energy: -290.553623 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -90.612 flat angles C4'-P-C4' energy: -82.437 flat angles P-C4'-P energy: -46.134 tors. eta vs tors. theta energy: 22.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1924.161035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.161035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.161035 (E_RNA) where: Base-Base interactions energy: -1298.353 where: short stacking energy: -570.284 Base-Backbone interact. energy: -2.561 local terms energy: -623.247868 where: bonds (distance) C4'-P energy: -113.988 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -139.178 flat angles P-C4'-P energy: -87.454 tors. eta vs tors. theta energy: -167.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1753.438886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.438886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.438886 (E_RNA) where: Base-Base interactions energy: -1175.269 where: short stacking energy: -501.102 Base-Backbone interact. energy: -3.841 local terms energy: -574.328955 where: bonds (distance) C4'-P energy: -101.508 bonds (distance) P-C4' energy: -123.699 flat angles C4'-P-C4' energy: -129.587 flat angles P-C4'-P energy: -82.027 tors. eta vs tors. theta energy: -137.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1736.549878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.549878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.549878 (E_RNA) where: Base-Base interactions energy: -1160.624 where: short stacking energy: -539.257 Base-Backbone interact. energy: -2.425 local terms energy: -573.501034 where: bonds (distance) C4'-P energy: -104.832 bonds (distance) P-C4' energy: -109.181 flat angles C4'-P-C4' energy: -124.657 flat angles P-C4'-P energy: -77.287 tors. eta vs tors. theta energy: -157.545 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: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1598.390088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.390088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.390088 (E_RNA) where: Base-Base interactions energy: -1044.369 where: short stacking energy: -494.139 Base-Backbone interact. energy: -1.072 local terms energy: -552.949132 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -110.867 flat angles C4'-P-C4' energy: -126.525 flat angles P-C4'-P energy: -79.583 tors. eta vs tors. theta energy: -144.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1587.833043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.833043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.833043 (E_RNA) where: Base-Base interactions energy: -1066.185 where: short stacking energy: -477.372 Base-Backbone interact. energy: 0.878 local terms energy: -522.526738 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -104.792 flat angles C4'-P-C4' energy: -100.657 flat angles P-C4'-P energy: -69.740 tors. eta vs tors. theta energy: -135.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1433.278191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.278191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.278191 (E_RNA) where: Base-Base interactions energy: -969.218 where: short stacking energy: -420.216 Base-Backbone interact. energy: -3.193 local terms energy: -460.867027 where: bonds (distance) C4'-P energy: -99.622 bonds (distance) P-C4' energy: -97.672 flat angles C4'-P-C4' energy: -109.698 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -110.133 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: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1261.136387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.136387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.136387 (E_RNA) where: Base-Base interactions energy: -831.648 where: short stacking energy: -367.167 Base-Backbone interact. energy: 1.092 local terms energy: -430.580140 where: bonds (distance) C4'-P energy: -101.137 bonds (distance) P-C4' energy: -104.475 flat angles C4'-P-C4' energy: -95.233 flat angles P-C4'-P energy: -57.016 tors. eta vs tors. theta energy: -72.719 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: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -959.354303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.354303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.354303 (E_RNA) where: Base-Base interactions energy: -546.377 where: short stacking energy: -262.676 Base-Backbone interact. energy: 3.000 local terms energy: -415.977148 where: bonds (distance) C4'-P energy: -84.682 bonds (distance) P-C4' energy: -104.034 flat angles C4'-P-C4' energy: -110.671 flat angles P-C4'-P energy: -67.523 tors. eta vs tors. theta energy: -49.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -642.065262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.065262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.065262 (E_RNA) where: Base-Base interactions energy: -336.888 where: short stacking energy: -169.874 Base-Backbone interact. energy: 0.254 local terms energy: -305.431521 where: bonds (distance) C4'-P energy: -87.627 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -79.762 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: 16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -441.463638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.463638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.463638 (E_RNA) where: Base-Base interactions energy: -151.143 where: short stacking energy: -126.231 Base-Backbone interact. energy: -1.726 local terms energy: -288.593953 where: bonds (distance) C4'-P energy: -96.629 bonds (distance) P-C4' energy: -75.565 flat angles C4'-P-C4' energy: -79.807 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1917.358638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.358638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.358638 (E_RNA) where: Base-Base interactions energy: -1305.434 where: short stacking energy: -575.023 Base-Backbone interact. energy: -3.313 local terms energy: -608.611576 where: bonds (distance) C4'-P energy: -113.638 bonds (distance) P-C4' energy: -119.112 flat angles C4'-P-C4' energy: -121.524 flat angles P-C4'-P energy: -80.692 tors. eta vs tors. theta energy: -173.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1847.051556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.051556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.051556 (E_RNA) where: Base-Base interactions energy: -1249.252 where: short stacking energy: -548.668 Base-Backbone interact. energy: 3.063 local terms energy: -600.862565 where: bonds (distance) C4'-P energy: -119.039 bonds (distance) P-C4' energy: -106.264 flat angles C4'-P-C4' energy: -131.060 flat angles P-C4'-P energy: -90.132 tors. eta vs tors. theta energy: -154.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1733.857906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.857906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.857906 (E_RNA) where: Base-Base interactions energy: -1167.645 where: short stacking energy: -508.431 Base-Backbone interact. energy: -1.994 local terms energy: -564.219003 where: bonds (distance) C4'-P energy: -110.472 bonds (distance) P-C4' energy: -109.861 flat angles C4'-P-C4' energy: -118.412 flat angles P-C4'-P energy: -78.970 tors. eta vs tors. theta energy: -146.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1574.214754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.214754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.214754 (E_RNA) where: Base-Base interactions energy: -1022.086 where: short stacking energy: -493.710 Base-Backbone interact. energy: 0.770 local terms energy: -552.898616 where: bonds (distance) C4'-P energy: -98.965 bonds (distance) P-C4' energy: -114.195 flat angles C4'-P-C4' energy: -125.912 flat angles P-C4'-P energy: -81.068 tors. eta vs tors. theta energy: -132.759 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: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1606.276660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.276660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.276660 (E_RNA) where: Base-Base interactions energy: -1072.252 where: short stacking energy: -472.897 Base-Backbone interact. energy: 1.843 local terms energy: -535.867966 where: bonds (distance) C4'-P energy: -104.847 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -121.177 flat angles P-C4'-P energy: -77.444 tors. eta vs tors. theta energy: -133.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1445.463769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.463769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.463769 (E_RNA) where: Base-Base interactions energy: -958.978 where: short stacking energy: -420.083 Base-Backbone interact. energy: 1.464 local terms energy: -487.950103 where: bonds (distance) C4'-P energy: -105.319 bonds (distance) P-C4' energy: -99.086 flat angles C4'-P-C4' energy: -115.321 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -115.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1241.651896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.651896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.651896 (E_RNA) where: Base-Base interactions energy: -798.080 where: short stacking energy: -358.594 Base-Backbone interact. energy: 1.273 local terms energy: -444.845194 where: bonds (distance) C4'-P energy: -98.250 bonds (distance) P-C4' energy: -89.882 flat angles C4'-P-C4' energy: -110.904 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -76.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -956.430732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.430732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.430732 (E_RNA) where: Base-Base interactions energy: -559.746 where: short stacking energy: -283.281 Base-Backbone interact. energy: -2.023 local terms energy: -394.662023 where: bonds (distance) C4'-P energy: -93.580 bonds (distance) P-C4' energy: -101.062 flat angles C4'-P-C4' energy: -98.152 flat angles P-C4'-P energy: -55.175 tors. eta vs tors. theta energy: -46.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -665.219180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.219180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.219180 (E_RNA) where: Base-Base interactions energy: -297.369 where: short stacking energy: -183.336 Base-Backbone interact. energy: 9.702 local terms energy: -377.552040 where: bonds (distance) C4'-P energy: -99.252 bonds (distance) P-C4' energy: -117.300 flat angles C4'-P-C4' energy: -99.199 flat angles P-C4'-P energy: -58.540 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -445.539493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.539493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.539493 (E_RNA) where: Base-Base interactions energy: -146.856 where: short stacking energy: -123.871 Base-Backbone interact. energy: 0.938 local terms energy: -299.621422 where: bonds (distance) C4'-P energy: -81.069 bonds (distance) P-C4' energy: -89.407 flat angles C4'-P-C4' energy: -77.385 flat angles P-C4'-P energy: -62.166 tors. eta vs tors. theta energy: 10.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1892.668394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.668394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.668394 (E_RNA) where: Base-Base interactions energy: -1275.351 where: short stacking energy: -550.687 Base-Backbone interact. energy: -0.059 local terms energy: -617.258570 where: bonds (distance) C4'-P energy: -114.311 bonds (distance) P-C4' energy: -119.281 flat angles C4'-P-C4' energy: -127.656 flat angles P-C4'-P energy: -86.294 tors. eta vs tors. theta energy: -169.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1817.154325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.154325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.154325 (E_RNA) where: Base-Base interactions energy: -1213.361 where: short stacking energy: -540.096 Base-Backbone interact. energy: -1.258 local terms energy: -602.535547 where: bonds (distance) C4'-P energy: -108.095 bonds (distance) P-C4' energy: -124.703 flat angles C4'-P-C4' energy: -131.368 flat angles P-C4'-P energy: -87.446 tors. eta vs tors. theta energy: -150.924 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: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1740.942442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.942442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.942442 (E_RNA) where: Base-Base interactions energy: -1202.229 where: short stacking energy: -514.460 Base-Backbone interact. energy: -0.043 local terms energy: -538.671302 where: bonds (distance) C4'-P energy: -88.800 bonds (distance) P-C4' energy: -105.009 flat angles C4'-P-C4' energy: -128.267 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: -143.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1621.135535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.135535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.135535 (E_RNA) where: Base-Base interactions energy: -1100.567 where: short stacking energy: -494.578 Base-Backbone interact. energy: 1.019 local terms energy: -521.587284 where: bonds (distance) C4'-P energy: -100.690 bonds (distance) P-C4' energy: -94.676 flat angles C4'-P-C4' energy: -123.990 flat angles P-C4'-P energy: -71.162 tors. eta vs tors. theta energy: -131.068 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: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1476.486212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.486212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.486212 (E_RNA) where: Base-Base interactions energy: -962.341 where: short stacking energy: -457.054 Base-Backbone interact. energy: 5.273 local terms energy: -519.418251 where: bonds (distance) C4'-P energy: -89.260 bonds (distance) P-C4' energy: -111.404 flat angles C4'-P-C4' energy: -108.532 flat angles P-C4'-P energy: -76.959 tors. eta vs tors. theta energy: -133.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1459.314301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.314301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.314301 (E_RNA) where: Base-Base interactions energy: -988.828 where: short stacking energy: -462.225 Base-Backbone interact. energy: -2.920 local terms energy: -467.566549 where: bonds (distance) C4'-P energy: -92.662 bonds (distance) P-C4' energy: -83.626 flat angles C4'-P-C4' energy: -98.235 flat angles P-C4'-P energy: -62.534 tors. eta vs tors. theta energy: -130.510 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: 113 Temperature: 1.200000 Total energy: -1303.507398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.507398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.507398 (E_RNA) where: Base-Base interactions energy: -855.706 where: short stacking energy: -383.680 Base-Backbone interact. energy: 1.479 local terms energy: -449.280000 where: bonds (distance) C4'-P energy: -88.021 bonds (distance) P-C4' energy: -117.460 flat angles C4'-P-C4' energy: -96.347 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -88.305 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: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1007.523663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.523663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.523663 (E_RNA) where: Base-Base interactions energy: -623.400 where: short stacking energy: -300.856 Base-Backbone interact. energy: 0.768 local terms energy: -384.891796 where: bonds (distance) C4'-P energy: -93.728 bonds (distance) P-C4' energy: -107.873 flat angles C4'-P-C4' energy: -82.004 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: -45.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -612.157090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.157090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.157090 (E_RNA) where: Base-Base interactions energy: -272.510 where: short stacking energy: -175.039 Base-Backbone interact. energy: -0.685 local terms energy: -338.962058 where: bonds (distance) C4'-P energy: -101.893 bonds (distance) P-C4' energy: -91.037 flat angles C4'-P-C4' energy: -93.022 flat angles P-C4'-P energy: -48.110 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: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -507.637477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.637477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.637477 (E_RNA) where: Base-Base interactions energy: -227.117 where: short stacking energy: -137.760 Base-Backbone interact. energy: 1.286 local terms energy: -281.806867 where: bonds (distance) C4'-P energy: -84.634 bonds (distance) P-C4' energy: -85.118 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: 14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1893.229855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.229855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.229855 (E_RNA) where: Base-Base interactions energy: -1284.054 where: short stacking energy: -578.872 Base-Backbone interact. energy: 3.493 local terms energy: -612.668857 where: bonds (distance) C4'-P energy: -110.526 bonds (distance) P-C4' energy: -131.403 flat angles C4'-P-C4' energy: -131.507 flat angles P-C4'-P energy: -73.768 tors. eta vs tors. theta energy: -165.465 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: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1840.030687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.030687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.030687 (E_RNA) where: Base-Base interactions energy: -1244.197 where: short stacking energy: -535.490 Base-Backbone interact. energy: -1.806 local terms energy: -594.027286 where: bonds (distance) C4'-P energy: -110.149 bonds (distance) P-C4' energy: -126.204 flat angles C4'-P-C4' energy: -131.749 flat angles P-C4'-P energy: -74.605 tors. eta vs tors. theta energy: -151.320 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: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1723.066282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.066282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.066282 (E_RNA) where: Base-Base interactions energy: -1175.748 where: short stacking energy: -548.379 Base-Backbone interact. energy: -3.936 local terms energy: -543.382963 where: bonds (distance) C4'-P energy: -108.851 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -123.982 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: -139.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1611.129919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.129919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.129919 (E_RNA) where: Base-Base interactions energy: -1074.117 where: short stacking energy: -477.554 Base-Backbone interact. energy: -1.017 local terms energy: -535.995855 where: bonds (distance) C4'-P energy: -105.473 bonds (distance) P-C4' energy: -111.844 flat angles C4'-P-C4' energy: -119.012 flat angles P-C4'-P energy: -67.025 tors. eta vs tors. theta energy: -132.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1521.142508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.142508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.142508 (E_RNA) where: Base-Base interactions energy: -979.903 where: short stacking energy: -433.450 Base-Backbone interact. energy: -2.656 local terms energy: -538.583587 where: bonds (distance) C4'-P energy: -109.390 bonds (distance) P-C4' energy: -109.054 flat angles C4'-P-C4' energy: -120.320 flat angles P-C4'-P energy: -76.088 tors. eta vs tors. theta energy: -123.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1413.051053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.051053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.051053 (E_RNA) where: Base-Base interactions energy: -953.914 where: short stacking energy: -427.669 Base-Backbone interact. energy: -2.704 local terms energy: -456.432956 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -92.658 flat angles C4'-P-C4' energy: -100.730 flat angles P-C4'-P energy: -60.898 tors. eta vs tors. theta energy: -110.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1357.221350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.221350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.221350 (E_RNA) where: Base-Base interactions energy: -916.080 where: short stacking energy: -400.215 Base-Backbone interact. energy: -0.909 local terms energy: -440.231954 where: bonds (distance) C4'-P energy: -93.069 bonds (distance) P-C4' energy: -93.925 flat angles C4'-P-C4' energy: -96.526 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -95.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1004.133171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.133171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.133171 (E_RNA) where: Base-Base interactions energy: -594.621 where: short stacking energy: -285.836 Base-Backbone interact. energy: -1.654 local terms energy: -407.857989 where: bonds (distance) C4'-P energy: -100.403 bonds (distance) P-C4' energy: -98.060 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -80.137 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: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -622.638829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.638829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.638829 (E_RNA) where: Base-Base interactions energy: -291.645 where: short stacking energy: -174.543 Base-Backbone interact. energy: 2.525 local terms energy: -333.519256 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -83.170 flat angles P-C4'-P energy: -54.239 tors. eta vs tors. theta energy: -12.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -504.986201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.986201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.986201 (E_RNA) where: Base-Base interactions energy: -188.265 where: short stacking energy: -130.013 Base-Backbone interact. energy: 0.448 local terms energy: -317.169315 where: bonds (distance) C4'-P energy: -95.557 bonds (distance) P-C4' energy: -113.472 flat angles C4'-P-C4' energy: -89.573 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: 17.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1909.951195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.951195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.951195 (E_RNA) where: Base-Base interactions energy: -1307.501 where: short stacking energy: -595.505 Base-Backbone interact. energy: -1.777 local terms energy: -600.673165 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -131.164 flat angles P-C4'-P energy: -84.473 tors. eta vs tors. theta energy: -170.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1812.797941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.797941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.797941 (E_RNA) where: Base-Base interactions energy: -1230.060 where: short stacking energy: -532.144 Base-Backbone interact. energy: 3.404 local terms energy: -586.141960 where: bonds (distance) C4'-P energy: -118.209 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: -147.316 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: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1729.544323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.544323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.544323 (E_RNA) where: Base-Base interactions energy: -1154.254 where: short stacking energy: -507.422 Base-Backbone interact. energy: 2.886 local terms energy: -578.175795 where: bonds (distance) C4'-P energy: -118.382 bonds (distance) P-C4' energy: -105.338 flat angles C4'-P-C4' energy: -118.415 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -143.530 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: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1630.913330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.913330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.913330 (E_RNA) where: Base-Base interactions energy: -1058.043 where: short stacking energy: -488.387 Base-Backbone interact. energy: -0.806 local terms energy: -572.064316 where: bonds (distance) C4'-P energy: -108.223 bonds (distance) P-C4' energy: -119.699 flat angles C4'-P-C4' energy: -130.498 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -145.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1519.827374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.827374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.827374 (E_RNA) where: Base-Base interactions energy: -999.362 where: short stacking energy: -418.915 Base-Backbone interact. energy: -1.188 local terms energy: -519.277021 where: bonds (distance) C4'-P energy: -112.736 bonds (distance) P-C4' energy: -109.053 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -67.550 tors. eta vs tors. theta energy: -112.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1467.101457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.101457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.101457 (E_RNA) where: Base-Base interactions energy: -963.969 where: short stacking energy: -427.301 Base-Backbone interact. energy: -1.290 local terms energy: -501.843117 where: bonds (distance) C4'-P energy: -100.112 bonds (distance) P-C4' energy: -90.788 flat angles C4'-P-C4' energy: -128.556 flat angles P-C4'-P energy: -71.778 tors. eta vs tors. theta energy: -110.609 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: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1251.284410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.284410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.284410 (E_RNA) where: Base-Base interactions energy: -818.627 where: short stacking energy: -374.224 Base-Backbone interact. energy: 0.405 local terms energy: -433.062469 where: bonds (distance) C4'-P energy: -85.665 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -84.301 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -90.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1015.681237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.681237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.681237 (E_RNA) where: Base-Base interactions energy: -627.962 where: short stacking energy: -283.612 Base-Backbone interact. energy: -3.297 local terms energy: -384.422196 where: bonds (distance) C4'-P energy: -104.337 bonds (distance) P-C4' energy: -90.047 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -48.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -610.494970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.494970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.494970 (E_RNA) where: Base-Base interactions energy: -303.323 where: short stacking energy: -166.429 Base-Backbone interact. energy: -0.598 local terms energy: -306.574477 where: bonds (distance) C4'-P energy: -93.260 bonds (distance) P-C4' energy: -87.006 flat angles C4'-P-C4' energy: -89.425 flat angles P-C4'-P energy: -45.927 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: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -445.096902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.096902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.096902 (E_RNA) where: Base-Base interactions energy: -150.292 where: short stacking energy: -114.392 Base-Backbone interact. energy: 4.536 local terms energy: -299.341133 where: bonds (distance) C4'-P energy: -85.206 bonds (distance) P-C4' energy: -106.147 flat angles C4'-P-C4' energy: -63.841 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: 7.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1883.309881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.309881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.309881 (E_RNA) where: Base-Base interactions energy: -1278.311 where: short stacking energy: -576.777 Base-Backbone interact. energy: 2.341 local terms energy: -607.339773 where: bonds (distance) C4'-P energy: -111.729 bonds (distance) P-C4' energy: -119.703 flat angles C4'-P-C4' energy: -127.293 flat angles P-C4'-P energy: -90.091 tors. eta vs tors. theta energy: -158.524 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: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1827.613476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.613476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.613476 (E_RNA) where: Base-Base interactions energy: -1237.644 where: short stacking energy: -519.088 Base-Backbone interact. energy: -2.321 local terms energy: -587.649071 where: bonds (distance) C4'-P energy: -121.574 bonds (distance) P-C4' energy: -110.397 flat angles C4'-P-C4' energy: -123.335 flat angles P-C4'-P energy: -80.098 tors. eta vs tors. theta energy: -152.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1695.160592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.160592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.160592 (E_RNA) where: Base-Base interactions energy: -1140.158 where: short stacking energy: -541.358 Base-Backbone interact. energy: -0.556 local terms energy: -554.446283 where: bonds (distance) C4'-P energy: -100.973 bonds (distance) P-C4' energy: -109.684 flat angles C4'-P-C4' energy: -112.381 flat angles P-C4'-P energy: -78.200 tors. eta vs tors. theta energy: -153.208 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: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1644.116343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.116343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.116343 (E_RNA) where: Base-Base interactions energy: -1083.558 where: short stacking energy: -490.683 Base-Backbone interact. energy: -1.025 local terms energy: -559.533506 where: bonds (distance) C4'-P energy: -114.693 bonds (distance) P-C4' energy: -105.544 flat angles C4'-P-C4' energy: -121.680 flat angles P-C4'-P energy: -77.551 tors. eta vs tors. theta energy: -140.065 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: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1517.504677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.504677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.504677 (E_RNA) where: Base-Base interactions energy: -987.029 where: short stacking energy: -460.392 Base-Backbone interact. energy: 1.771 local terms energy: -532.246542 where: bonds (distance) C4'-P energy: -106.239 bonds (distance) P-C4' energy: -121.479 flat angles C4'-P-C4' energy: -114.877 flat angles P-C4'-P energy: -75.537 tors. eta vs tors. theta energy: -114.114 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: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1428.434926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.434926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.434926 (E_RNA) where: Base-Base interactions energy: -930.288 where: short stacking energy: -409.979 Base-Backbone interact. energy: -1.440 local terms energy: -496.706986 where: bonds (distance) C4'-P energy: -108.441 bonds (distance) P-C4' energy: -93.049 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -78.833 tors. eta vs tors. theta energy: -101.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1161.298510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.298510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.298510 (E_RNA) where: Base-Base interactions energy: -740.945 where: short stacking energy: -323.550 Base-Backbone interact. energy: 0.993 local terms energy: -421.346451 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -100.742 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -58.374 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: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1031.317804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.317804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.317804 (E_RNA) where: Base-Base interactions energy: -611.034 where: short stacking energy: -296.227 Base-Backbone interact. energy: -2.801 local terms energy: -417.482106 where: bonds (distance) C4'-P energy: -95.039 bonds (distance) P-C4' energy: -105.999 flat angles C4'-P-C4' energy: -107.465 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -54.756 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: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -635.455864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.455864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.455864 (E_RNA) where: Base-Base interactions energy: -299.318 where: short stacking energy: -196.897 Base-Backbone interact. energy: 0.770 local terms energy: -336.908255 where: bonds (distance) C4'-P energy: -87.849 bonds (distance) P-C4' energy: -105.052 flat angles C4'-P-C4' energy: -87.696 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -5.747 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: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -439.412386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.412386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.412386 (E_RNA) where: Base-Base interactions energy: -142.856 where: short stacking energy: -110.015 Base-Backbone interact. energy: 5.068 local terms energy: -301.624879 where: bonds (distance) C4'-P energy: -105.188 bonds (distance) P-C4' energy: -105.719 flat angles C4'-P-C4' energy: -84.697 flat angles P-C4'-P energy: -41.149 tors. eta vs tors. theta energy: 35.128 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: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1858.827209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.827209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.827209 (E_RNA) where: Base-Base interactions energy: -1272.753 where: short stacking energy: -549.656 Base-Backbone interact. energy: -3.921 local terms energy: -582.153063 where: bonds (distance) C4'-P energy: -119.843 bonds (distance) P-C4' energy: -106.542 flat angles C4'-P-C4' energy: -129.358 flat angles P-C4'-P energy: -75.215 tors. eta vs tors. theta energy: -151.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1847.604543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.604543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.604543 (E_RNA) where: Base-Base interactions energy: -1262.814 where: short stacking energy: -552.053 Base-Backbone interact. energy: -1.593 local terms energy: -583.196760 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -106.124 flat angles C4'-P-C4' energy: -130.089 flat angles P-C4'-P energy: -72.195 tors. eta vs tors. theta energy: -154.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1703.668238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.668238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.668238 (E_RNA) where: Base-Base interactions energy: -1121.683 where: short stacking energy: -516.004 Base-Backbone interact. energy: -4.884 local terms energy: -577.101183 where: bonds (distance) C4'-P energy: -120.250 bonds (distance) P-C4' energy: -101.840 flat angles C4'-P-C4' energy: -130.653 flat angles P-C4'-P energy: -78.052 tors. eta vs tors. theta energy: -146.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1669.218109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.218109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.218109 (E_RNA) where: Base-Base interactions energy: -1117.359 where: short stacking energy: -511.737 Base-Backbone interact. energy: 0.149 local terms energy: -552.007955 where: bonds (distance) C4'-P energy: -97.513 bonds (distance) P-C4' energy: -109.186 flat angles C4'-P-C4' energy: -115.431 flat angles P-C4'-P energy: -84.147 tors. eta vs tors. theta energy: -145.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1522.455998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.455998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.455998 (E_RNA) where: Base-Base interactions energy: -985.627 where: short stacking energy: -438.598 Base-Backbone interact. energy: -0.092 local terms energy: -536.736514 where: bonds (distance) C4'-P energy: -111.044 bonds (distance) P-C4' energy: -103.396 flat angles C4'-P-C4' energy: -123.275 flat angles P-C4'-P energy: -85.651 tors. eta vs tors. theta energy: -113.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1474.198876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.198876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.198876 (E_RNA) where: Base-Base interactions energy: -974.050 where: short stacking energy: -410.957 Base-Backbone interact. energy: -1.935 local terms energy: -498.213718 where: bonds (distance) C4'-P energy: -102.718 bonds (distance) P-C4' energy: -110.040 flat angles C4'-P-C4' energy: -99.308 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: -108.468 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: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1098.582114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.582114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.582114 (E_RNA) where: Base-Base interactions energy: -650.181 where: short stacking energy: -305.144 Base-Backbone interact. energy: 0.467 local terms energy: -448.868096 where: bonds (distance) C4'-P energy: -108.965 bonds (distance) P-C4' energy: -111.199 flat angles C4'-P-C4' energy: -107.171 flat angles P-C4'-P energy: -56.982 tors. eta vs tors. theta energy: -64.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -939.819361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.819361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.819361 (E_RNA) where: Base-Base interactions energy: -560.120 where: short stacking energy: -265.397 Base-Backbone interact. energy: -0.362 local terms energy: -379.336990 where: bonds (distance) C4'-P energy: -99.418 bonds (distance) P-C4' energy: -107.839 flat angles C4'-P-C4' energy: -97.131 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -28.305 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: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -620.474514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.474514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.474514 (E_RNA) where: Base-Base interactions energy: -305.222 where: short stacking energy: -170.981 Base-Backbone interact. energy: -0.120 local terms energy: -315.132394 where: bonds (distance) C4'-P energy: -89.520 bonds (distance) P-C4' energy: -94.300 flat angles C4'-P-C4' energy: -86.693 flat angles P-C4'-P energy: -52.212 tors. eta vs tors. theta energy: 7.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -487.363664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.363664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.363664 (E_RNA) where: Base-Base interactions energy: -174.086 where: short stacking energy: -146.982 Base-Backbone interact. energy: -2.424 local terms energy: -310.853667 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -90.447 flat angles C4'-P-C4' energy: -84.622 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: 12.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1854.408455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.408455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.408455 (E_RNA) where: Base-Base interactions energy: -1261.379 where: short stacking energy: -555.041 Base-Backbone interact. energy: -0.044 local terms energy: -592.984661 where: bonds (distance) C4'-P energy: -114.900 bonds (distance) P-C4' energy: -125.914 flat angles C4'-P-C4' energy: -118.420 flat angles P-C4'-P energy: -82.637 tors. eta vs tors. theta energy: -151.114 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: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1863.766850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.766850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.766850 (E_RNA) where: Base-Base interactions energy: -1265.034 where: short stacking energy: -516.851 Base-Backbone interact. energy: -1.972 local terms energy: -596.760511 where: bonds (distance) C4'-P energy: -112.975 bonds (distance) P-C4' energy: -124.313 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -70.224 tors. eta vs tors. theta energy: -158.953 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: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1735.317592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.317592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.317592 (E_RNA) where: Base-Base interactions energy: -1159.687 where: short stacking energy: -518.832 Base-Backbone interact. energy: -5.332 local terms energy: -570.298831 where: bonds (distance) C4'-P energy: -103.492 bonds (distance) P-C4' energy: -104.280 flat angles C4'-P-C4' energy: -134.399 flat angles P-C4'-P energy: -87.193 tors. eta vs tors. theta energy: -140.935 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: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1699.432588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.432588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.432588 (E_RNA) where: Base-Base interactions energy: -1121.639 where: short stacking energy: -524.727 Base-Backbone interact. energy: -1.486 local terms energy: -576.308285 where: bonds (distance) C4'-P energy: -115.094 bonds (distance) P-C4' energy: -111.694 flat angles C4'-P-C4' energy: -125.538 flat angles P-C4'-P energy: -77.758 tors. eta vs tors. theta energy: -146.226 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: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1521.842568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.842568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.842568 (E_RNA) where: Base-Base interactions energy: -1005.373 where: short stacking energy: -462.202 Base-Backbone interact. energy: 1.369 local terms energy: -517.838408 where: bonds (distance) C4'-P energy: -106.026 bonds (distance) P-C4' energy: -94.170 flat angles C4'-P-C4' energy: -123.602 flat angles P-C4'-P energy: -71.994 tors. eta vs tors. theta energy: -122.047 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: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1434.603136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.603136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.603136 (E_RNA) where: Base-Base interactions energy: -935.689 where: short stacking energy: -394.683 Base-Backbone interact. energy: -0.031 local terms energy: -498.883311 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -107.706 flat angles C4'-P-C4' energy: -116.480 flat angles P-C4'-P energy: -65.264 tors. eta vs tors. theta energy: -104.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1116.057375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.057375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.057375 (E_RNA) where: Base-Base interactions energy: -691.318 where: short stacking energy: -356.712 Base-Backbone interact. energy: 1.023 local terms energy: -425.762678 where: bonds (distance) C4'-P energy: -101.376 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -93.454 flat angles P-C4'-P energy: -53.769 tors. eta vs tors. theta energy: -68.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1058.936544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.936544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.936544 (E_RNA) where: Base-Base interactions energy: -652.122 where: short stacking energy: -307.986 Base-Backbone interact. energy: 1.079 local terms energy: -407.893994 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -97.073 flat angles C4'-P-C4' energy: -109.287 flat angles P-C4'-P energy: -58.084 tors. eta vs tors. theta energy: -57.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -554.124010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.124010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.124010 (E_RNA) where: Base-Base interactions energy: -225.509 where: short stacking energy: -153.479 Base-Backbone interact. energy: 0.215 local terms energy: -328.829843 where: bonds (distance) C4'-P energy: -101.371 bonds (distance) P-C4' energy: -90.282 flat angles C4'-P-C4' energy: -94.076 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: 1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -542.231118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.231118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.231118 (E_RNA) where: Base-Base interactions energy: -237.431 where: short stacking energy: -135.313 Base-Backbone interact. energy: 6.575 local terms energy: -311.375172 where: bonds (distance) C4'-P energy: -93.305 bonds (distance) P-C4' energy: -89.364 flat angles C4'-P-C4' energy: -90.084 flat angles P-C4'-P energy: -51.540 tors. eta vs tors. theta energy: 12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1907.337025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.337025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.337025 (E_RNA) where: Base-Base interactions energy: -1283.554 where: short stacking energy: -563.022 Base-Backbone interact. energy: -3.148 local terms energy: -620.634575 where: bonds (distance) C4'-P energy: -122.370 bonds (distance) P-C4' energy: -113.503 flat angles C4'-P-C4' energy: -132.926 flat angles P-C4'-P energy: -80.145 tors. eta vs tors. theta energy: -171.691 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: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1874.874531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.874531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.874531 (E_RNA) where: Base-Base interactions energy: -1280.932 where: short stacking energy: -535.645 Base-Backbone interact. energy: -4.272 local terms energy: -589.670557 where: bonds (distance) C4'-P energy: -114.336 bonds (distance) P-C4' energy: -122.328 flat angles C4'-P-C4' energy: -132.802 flat angles P-C4'-P energy: -68.366 tors. eta vs tors. theta energy: -151.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1742.099856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.099856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.099856 (E_RNA) where: Base-Base interactions energy: -1173.109 where: short stacking energy: -517.555 Base-Backbone interact. energy: -1.352 local terms energy: -567.638177 where: bonds (distance) C4'-P energy: -89.821 bonds (distance) P-C4' energy: -114.356 flat angles C4'-P-C4' energy: -129.642 flat angles P-C4'-P energy: -79.286 tors. eta vs tors. theta energy: -154.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1650.842986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.842986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.842986 (E_RNA) where: Base-Base interactions energy: -1100.933 where: short stacking energy: -492.267 Base-Backbone interact. energy: -0.312 local terms energy: -549.598157 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -112.344 flat angles C4'-P-C4' energy: -116.946 flat angles P-C4'-P energy: -72.958 tors. eta vs tors. theta energy: -126.596 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: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1526.608718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.608718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.608718 (E_RNA) where: Base-Base interactions energy: -1052.722 where: short stacking energy: -444.329 Base-Backbone interact. energy: 0.836 local terms energy: -474.722363 where: bonds (distance) C4'-P energy: -106.200 bonds (distance) P-C4' energy: -100.031 flat angles C4'-P-C4' energy: -118.361 flat angles P-C4'-P energy: -60.002 tors. eta vs tors. theta energy: -90.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1452.661172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.661172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.661172 (E_RNA) where: Base-Base interactions energy: -970.705 where: short stacking energy: -429.834 Base-Backbone interact. energy: 0.576 local terms energy: -482.532029 where: bonds (distance) C4'-P energy: -93.770 bonds (distance) P-C4' energy: -105.643 flat angles C4'-P-C4' energy: -111.363 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: -108.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1034.765909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.765909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.765909 (E_RNA) where: Base-Base interactions energy: -600.728 where: short stacking energy: -298.307 Base-Backbone interact. energy: 2.087 local terms energy: -436.124894 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -111.705 flat angles C4'-P-C4' energy: -87.660 flat angles P-C4'-P energy: -76.580 tors. eta vs tors. theta energy: -54.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1047.906200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.906200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.906200 (E_RNA) where: Base-Base interactions energy: -650.336 where: short stacking energy: -294.882 Base-Backbone interact. energy: -2.747 local terms energy: -394.822819 where: bonds (distance) C4'-P energy: -95.361 bonds (distance) P-C4' energy: -98.512 flat angles C4'-P-C4' energy: -93.835 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -47.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -519.928080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.928080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.928080 (E_RNA) where: Base-Base interactions energy: -181.697 where: short stacking energy: -147.914 Base-Backbone interact. energy: -3.557 local terms energy: -334.674234 where: bonds (distance) C4'-P energy: -103.920 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -88.254 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: 16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -484.687793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.687793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.687793 (E_RNA) where: Base-Base interactions energy: -202.599 where: short stacking energy: -157.771 Base-Backbone interact. energy: -1.014 local terms energy: -281.074491 where: bonds (distance) C4'-P energy: -85.934 bonds (distance) P-C4' energy: -97.237 flat angles C4'-P-C4' energy: -71.839 flat angles P-C4'-P energy: -37.421 tors. eta vs tors. theta energy: 11.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1911.582351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.582351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.582351 (E_RNA) where: Base-Base interactions energy: -1293.487 where: short stacking energy: -562.656 Base-Backbone interact. energy: -5.547 local terms energy: -612.547912 where: bonds (distance) C4'-P energy: -114.036 bonds (distance) P-C4' energy: -112.520 flat angles C4'-P-C4' energy: -126.713 flat angles P-C4'-P energy: -88.691 tors. eta vs tors. theta energy: -170.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1851.017232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.017232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.017232 (E_RNA) where: Base-Base interactions energy: -1258.953 where: short stacking energy: -531.736 Base-Backbone interact. energy: -3.117 local terms energy: -588.947586 where: bonds (distance) C4'-P energy: -114.891 bonds (distance) P-C4' energy: -103.397 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -85.793 tors. eta vs tors. theta energy: -147.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1735.766020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.766020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.766020 (E_RNA) where: Base-Base interactions energy: -1155.199 where: short stacking energy: -527.956 Base-Backbone interact. energy: -4.402 local terms energy: -576.164804 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -123.486 flat angles C4'-P-C4' energy: -119.556 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -146.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1629.639353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.639353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.639353 (E_RNA) where: Base-Base interactions energy: -1092.503 where: short stacking energy: -510.444 Base-Backbone interact. energy: 1.801 local terms energy: -538.937379 where: bonds (distance) C4'-P energy: -107.901 bonds (distance) P-C4' energy: -106.822 flat angles C4'-P-C4' energy: -112.146 flat angles P-C4'-P energy: -76.566 tors. eta vs tors. theta energy: -135.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1521.375427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.375427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.375427 (E_RNA) where: Base-Base interactions energy: -1001.944 where: short stacking energy: -458.063 Base-Backbone interact. energy: -1.596 local terms energy: -517.835545 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -103.940 flat angles C4'-P-C4' energy: -130.009 flat angles P-C4'-P energy: -71.237 tors. eta vs tors. theta energy: -118.499 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: 10 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1447.971936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.971936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.971936 (E_RNA) where: Base-Base interactions energy: -969.240 where: short stacking energy: -427.256 Base-Backbone interact. energy: 3.459 local terms energy: -482.191826 where: bonds (distance) C4'-P energy: -101.639 bonds (distance) P-C4' energy: -104.467 flat angles C4'-P-C4' energy: -101.795 flat angles P-C4'-P energy: -60.179 tors. eta vs tors. theta energy: -114.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1045.695006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.695006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.695006 (E_RNA) where: Base-Base interactions energy: -606.354 where: short stacking energy: -306.105 Base-Backbone interact. energy: -2.033 local terms energy: -437.308065 where: bonds (distance) C4'-P energy: -110.790 bonds (distance) P-C4' energy: -91.688 flat angles C4'-P-C4' energy: -98.581 flat angles P-C4'-P energy: -73.279 tors. eta vs tors. theta energy: -62.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1069.733232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.733232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.733232 (E_RNA) where: Base-Base interactions energy: -686.606 where: short stacking energy: -327.630 Base-Backbone interact. energy: -0.079 local terms energy: -383.047964 where: bonds (distance) C4'-P energy: -88.760 bonds (distance) P-C4' energy: -102.132 flat angles C4'-P-C4' energy: -94.175 flat angles P-C4'-P energy: -45.332 tors. eta vs tors. theta energy: -52.649 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: 9, replica: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -479.650558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.650558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.650558 (E_RNA) where: Base-Base interactions energy: -162.233 where: short stacking energy: -151.167 Base-Backbone interact. energy: 0.183 local terms energy: -317.601103 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -81.541 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: 5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -500.828447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.828447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.828447 (E_RNA) where: Base-Base interactions energy: -196.688 where: short stacking energy: -164.690 Base-Backbone interact. energy: 1.809 local terms energy: -305.949774 where: bonds (distance) C4'-P energy: -90.289 bonds (distance) P-C4' energy: -89.088 flat angles C4'-P-C4' energy: -77.339 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: 1.682 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1896.204625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.204625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.204625 (E_RNA) where: Base-Base interactions energy: -1278.803 where: short stacking energy: -558.288 Base-Backbone interact. energy: -2.244 local terms energy: -615.157138 where: bonds (distance) C4'-P energy: -113.617 bonds (distance) P-C4' energy: -120.792 flat angles C4'-P-C4' energy: -130.552 flat angles P-C4'-P energy: -80.396 tors. eta vs tors. theta energy: -169.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1842.966026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.966026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.966026 (E_RNA) where: Base-Base interactions energy: -1251.648 where: short stacking energy: -541.945 Base-Backbone interact. energy: -2.417 local terms energy: -588.901167 where: bonds (distance) C4'-P energy: -101.749 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -134.591 flat angles P-C4'-P energy: -79.423 tors. eta vs tors. theta energy: -154.897 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: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1732.128439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.128439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.128439 (E_RNA) where: Base-Base interactions energy: -1157.135 where: short stacking energy: -515.359 Base-Backbone interact. energy: 3.524 local terms energy: -578.518065 where: bonds (distance) C4'-P energy: -109.160 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -128.242 flat angles P-C4'-P energy: -80.469 tors. eta vs tors. theta energy: -157.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1639.066170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.066170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.066170 (E_RNA) where: Base-Base interactions energy: -1079.829 where: short stacking energy: -518.844 Base-Backbone interact. energy: -2.966 local terms energy: -556.270893 where: bonds (distance) C4'-P energy: -103.067 bonds (distance) P-C4' energy: -119.314 flat angles C4'-P-C4' energy: -110.976 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: -144.062 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: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1525.646947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.646947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.646947 (E_RNA) where: Base-Base interactions energy: -997.218 where: short stacking energy: -444.327 Base-Backbone interact. energy: 0.329 local terms energy: -528.758248 where: bonds (distance) C4'-P energy: -117.989 bonds (distance) P-C4' energy: -100.899 flat angles C4'-P-C4' energy: -124.359 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: -123.591 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: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1460.860314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.860314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.860314 (E_RNA) where: Base-Base interactions energy: -941.889 where: short stacking energy: -409.152 Base-Backbone interact. energy: -2.017 local terms energy: -516.954540 where: bonds (distance) C4'-P energy: -100.670 bonds (distance) P-C4' energy: -105.531 flat angles C4'-P-C4' energy: -111.617 flat angles P-C4'-P energy: -75.505 tors. eta vs tors. theta energy: -123.632 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: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1031.150747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.150747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.150747 (E_RNA) where: Base-Base interactions energy: -599.236 where: short stacking energy: -287.828 Base-Backbone interact. energy: -2.297 local terms energy: -429.617614 where: bonds (distance) C4'-P energy: -105.834 bonds (distance) P-C4' energy: -94.801 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -72.826 tors. eta vs tors. theta energy: -57.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1043.423667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.423667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.423667 (E_RNA) where: Base-Base interactions energy: -647.790 where: short stacking energy: -281.723 Base-Backbone interact. energy: 3.008 local terms energy: -398.641030 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -106.831 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -62.396 tors. eta vs tors. theta energy: -32.590 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: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -517.032853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.032853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.032853 (E_RNA) where: Base-Base interactions energy: -206.201 where: short stacking energy: -149.939 Base-Backbone interact. energy: 3.026 local terms energy: -313.857206 where: bonds (distance) C4'-P energy: -105.551 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -90.488 flat angles P-C4'-P energy: -47.140 tors. eta vs tors. theta energy: 8.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -476.312096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.312096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.312096 (E_RNA) where: Base-Base interactions energy: -156.877 where: short stacking energy: -146.666 Base-Backbone interact. energy: 1.430 local terms energy: -320.864844 where: bonds (distance) C4'-P energy: -90.916 bonds (distance) P-C4' energy: -102.510 flat angles C4'-P-C4' energy: -78.238 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: 1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1911.811177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.811177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.811177 (E_RNA) where: Base-Base interactions energy: -1298.444 where: short stacking energy: -550.809 Base-Backbone interact. energy: 0.073 local terms energy: -613.439380 where: bonds (distance) C4'-P energy: -117.886 bonds (distance) P-C4' energy: -120.586 flat angles C4'-P-C4' energy: -136.298 flat angles P-C4'-P energy: -86.362 tors. eta vs tors. theta energy: -152.308 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: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1829.689310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.689310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.689310 (E_RNA) where: Base-Base interactions energy: -1255.850 where: short stacking energy: -534.766 Base-Backbone interact. energy: -0.273 local terms energy: -573.565867 where: bonds (distance) C4'-P energy: -103.725 bonds (distance) P-C4' energy: -110.515 flat angles C4'-P-C4' energy: -129.396 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -158.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1738.704939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.704939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.704939 (E_RNA) where: Base-Base interactions energy: -1148.978 where: short stacking energy: -530.746 Base-Backbone interact. energy: -3.709 local terms energy: -586.017786 where: bonds (distance) C4'-P energy: -105.202 bonds (distance) P-C4' energy: -117.307 flat angles C4'-P-C4' energy: -130.328 flat angles P-C4'-P energy: -75.281 tors. eta vs tors. theta energy: -157.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1656.462139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.462139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.462139 (E_RNA) where: Base-Base interactions energy: -1097.189 where: short stacking energy: -492.094 Base-Backbone interact. energy: -0.814 local terms energy: -558.458803 where: bonds (distance) C4'-P energy: -115.337 bonds (distance) P-C4' energy: -108.717 flat angles C4'-P-C4' energy: -115.762 flat angles P-C4'-P energy: -81.430 tors. eta vs tors. theta energy: -137.213 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1568.549081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.549081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.549081 (E_RNA) where: Base-Base interactions energy: -1052.213 where: short stacking energy: -500.986 Base-Backbone interact. energy: 1.536 local terms energy: -517.871766 where: bonds (distance) C4'-P energy: -94.532 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -112.455 flat angles P-C4'-P energy: -64.178 tors. eta vs tors. theta energy: -133.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1470.150680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.150680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.150680 (E_RNA) where: Base-Base interactions energy: -940.153 where: short stacking energy: -426.118 Base-Backbone interact. energy: -1.758 local terms energy: -528.239655 where: bonds (distance) C4'-P energy: -103.148 bonds (distance) P-C4' energy: -120.973 flat angles C4'-P-C4' energy: -114.380 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -119.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1174.750022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.750022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.750022 (E_RNA) where: Base-Base interactions energy: -763.645 where: short stacking energy: -339.645 Base-Backbone interact. energy: 0.508 local terms energy: -411.612843 where: bonds (distance) C4'-P energy: -99.501 bonds (distance) P-C4' energy: -90.028 flat angles C4'-P-C4' energy: -94.512 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -65.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -922.650984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.650984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.650984 (E_RNA) where: Base-Base interactions energy: -529.949 where: short stacking energy: -257.444 Base-Backbone interact. energy: -1.117 local terms energy: -391.585409 where: bonds (distance) C4'-P energy: -107.655 bonds (distance) P-C4' energy: -78.092 flat angles C4'-P-C4' energy: -100.229 flat angles P-C4'-P energy: -74.386 tors. eta vs tors. theta energy: -31.223 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: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -611.739327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.739327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.739327 (E_RNA) where: Base-Base interactions energy: -291.261 where: short stacking energy: -171.032 Base-Backbone interact. energy: 4.337 local terms energy: -324.815815 where: bonds (distance) C4'-P energy: -98.024 bonds (distance) P-C4' energy: -99.309 flat angles C4'-P-C4' energy: -86.224 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: 2.398 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: 122 Temperature: 1.350000 Total energy: -466.492142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.492142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.492142 (E_RNA) where: Base-Base interactions energy: -175.650 where: short stacking energy: -123.568 Base-Backbone interact. energy: -1.008 local terms energy: -289.834277 where: bonds (distance) C4'-P energy: -96.245 bonds (distance) P-C4' energy: -82.177 flat angles C4'-P-C4' energy: -75.858 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: 17.581 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: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1907.307078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.307078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.307078 (E_RNA) where: Base-Base interactions energy: -1303.800 where: short stacking energy: -564.732 Base-Backbone interact. energy: 1.883 local terms energy: -605.390171 where: bonds (distance) C4'-P energy: -109.122 bonds (distance) P-C4' energy: -106.696 flat angles C4'-P-C4' energy: -130.940 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -163.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1850.890458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.890458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.890458 (E_RNA) where: Base-Base interactions energy: -1259.145 where: short stacking energy: -542.210 Base-Backbone interact. energy: -2.029 local terms energy: -589.716473 where: bonds (distance) C4'-P energy: -124.972 bonds (distance) P-C4' energy: -101.191 flat angles C4'-P-C4' energy: -126.684 flat angles P-C4'-P energy: -78.849 tors. eta vs tors. theta energy: -158.020 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: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1763.634264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.634264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.634264 (E_RNA) where: Base-Base interactions energy: -1183.923 where: short stacking energy: -525.203 Base-Backbone interact. energy: -4.114 local terms energy: -575.597969 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -104.986 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -89.236 tors. eta vs tors. theta energy: -158.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1613.620726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.620726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.620726 (E_RNA) where: Base-Base interactions energy: -1096.929 where: short stacking energy: -489.725 Base-Backbone interact. energy: -0.242 local terms energy: -516.449681 where: bonds (distance) C4'-P energy: -102.071 bonds (distance) P-C4' energy: -100.478 flat angles C4'-P-C4' energy: -96.959 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -130.103 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: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1545.173252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.173252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.173252 (E_RNA) where: Base-Base interactions energy: -1033.597 where: short stacking energy: -457.592 Base-Backbone interact. energy: 1.244 local terms energy: -512.820204 where: bonds (distance) C4'-P energy: -102.654 bonds (distance) P-C4' energy: -111.808 flat angles C4'-P-C4' energy: -118.252 flat angles P-C4'-P energy: -71.128 tors. eta vs tors. theta energy: -108.977 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: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1439.739611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.739611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.739611 (E_RNA) where: Base-Base interactions energy: -956.784 where: short stacking energy: -434.019 Base-Backbone interact. energy: -2.729 local terms energy: -480.226184 where: bonds (distance) C4'-P energy: -79.363 bonds (distance) P-C4' energy: -111.787 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -63.757 tors. eta vs tors. theta energy: -123.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1112.833380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.833380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.833380 (E_RNA) where: Base-Base interactions energy: -719.302 where: short stacking energy: -325.318 Base-Backbone interact. energy: -1.434 local terms energy: -392.097462 where: bonds (distance) C4'-P energy: -95.019 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -95.084 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -47.654 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: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -896.970290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.970290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.970290 (E_RNA) where: Base-Base interactions energy: -501.703 where: short stacking energy: -256.546 Base-Backbone interact. energy: -0.332 local terms energy: -394.935317 where: bonds (distance) C4'-P energy: -90.832 bonds (distance) P-C4' energy: -96.074 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: -44.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -598.133518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.133518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.133518 (E_RNA) where: Base-Base interactions energy: -284.888 where: short stacking energy: -189.543 Base-Backbone interact. energy: -0.687 local terms energy: -312.557780 where: bonds (distance) C4'-P energy: -87.867 bonds (distance) P-C4' energy: -87.334 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -41.063 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -477.018101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.018101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.018101 (E_RNA) where: Base-Base interactions energy: -162.742 where: short stacking energy: -127.789 Base-Backbone interact. energy: -1.852 local terms energy: -312.423750 where: bonds (distance) C4'-P energy: -76.011 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -98.878 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: 18.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1901.302192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.302192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.302192 (E_RNA) where: Base-Base interactions energy: -1302.638 where: short stacking energy: -550.910 Base-Backbone interact. energy: -0.220 local terms energy: -598.444361 where: bonds (distance) C4'-P energy: -103.888 bonds (distance) P-C4' energy: -123.425 flat angles C4'-P-C4' energy: -127.034 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -157.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1834.432091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.432091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.432091 (E_RNA) where: Base-Base interactions energy: -1264.550 where: short stacking energy: -526.995 Base-Backbone interact. energy: 1.329 local terms energy: -571.211452 where: bonds (distance) C4'-P energy: -110.081 bonds (distance) P-C4' energy: -109.746 flat angles C4'-P-C4' energy: -121.095 flat angles P-C4'-P energy: -80.059 tors. eta vs tors. theta energy: -150.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1761.462650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.462650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.462650 (E_RNA) where: Base-Base interactions energy: -1176.307 where: short stacking energy: -540.914 Base-Backbone interact. energy: -1.093 local terms energy: -584.063012 where: bonds (distance) C4'-P energy: -112.250 bonds (distance) P-C4' energy: -115.201 flat angles C4'-P-C4' energy: -116.851 flat angles P-C4'-P energy: -78.267 tors. eta vs tors. theta energy: -161.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1641.594407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.594407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.594407 (E_RNA) where: Base-Base interactions energy: -1100.809 where: short stacking energy: -483.748 Base-Backbone interact. energy: -0.208 local terms energy: -540.577376 where: bonds (distance) C4'-P energy: -97.735 bonds (distance) P-C4' energy: -105.302 flat angles C4'-P-C4' energy: -123.112 flat angles P-C4'-P energy: -75.528 tors. eta vs tors. theta energy: -138.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1544.393541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.393541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.393541 (E_RNA) where: Base-Base interactions energy: -1041.436 where: short stacking energy: -478.232 Base-Backbone interact. energy: 1.889 local terms energy: -504.846247 where: bonds (distance) C4'-P energy: -107.603 bonds (distance) P-C4' energy: -102.520 flat angles C4'-P-C4' energy: -112.663 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -112.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1419.826686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.826686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.826686 (E_RNA) where: Base-Base interactions energy: -956.299 where: short stacking energy: -431.185 Base-Backbone interact. energy: -2.209 local terms energy: -461.318770 where: bonds (distance) C4'-P energy: -90.763 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -119.778 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -107.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1165.318760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.318760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.318760 (E_RNA) where: Base-Base interactions energy: -754.846 where: short stacking energy: -343.271 Base-Backbone interact. energy: -2.639 local terms energy: -407.832805 where: bonds (distance) C4'-P energy: -98.524 bonds (distance) P-C4' energy: -89.945 flat angles C4'-P-C4' energy: -105.828 flat angles P-C4'-P energy: -53.468 tors. eta vs tors. theta energy: -60.068 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: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -910.952555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.952555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.952555 (E_RNA) where: Base-Base interactions energy: -529.510 where: short stacking energy: -274.362 Base-Backbone interact. energy: -1.997 local terms energy: -379.445563 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -97.220 flat angles C4'-P-C4' energy: -85.550 flat angles P-C4'-P energy: -60.939 tors. eta vs tors. theta energy: -43.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -571.244967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.244967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.244967 (E_RNA) where: Base-Base interactions energy: -243.624 where: short stacking energy: -149.954 Base-Backbone interact. energy: -0.305 local terms energy: -327.316050 where: bonds (distance) C4'-P energy: -107.362 bonds (distance) P-C4' energy: -85.940 flat angles C4'-P-C4' energy: -82.747 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: 3.136 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: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -463.137625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.137625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.137625 (E_RNA) where: Base-Base interactions energy: -163.614 where: short stacking energy: -139.144 Base-Backbone interact. energy: 0.266 local terms energy: -299.789170 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -107.833 flat angles C4'-P-C4' energy: -66.329 flat angles P-C4'-P energy: -35.244 tors. eta vs tors. theta energy: 4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1899.397487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.397487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.397487 (E_RNA) where: Base-Base interactions energy: -1289.229 where: short stacking energy: -549.355 Base-Backbone interact. energy: 0.884 local terms energy: -611.052237 where: bonds (distance) C4'-P energy: -119.947 bonds (distance) P-C4' energy: -127.618 flat angles C4'-P-C4' energy: -127.813 flat angles P-C4'-P energy: -75.807 tors. eta vs tors. theta energy: -159.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1849.979802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.979802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.979802 (E_RNA) where: Base-Base interactions energy: -1275.088 where: short stacking energy: -554.959 Base-Backbone interact. energy: -2.987 local terms energy: -571.904097 where: bonds (distance) C4'-P energy: -110.319 bonds (distance) P-C4' energy: -115.481 flat angles C4'-P-C4' energy: -132.384 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: -144.346 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: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1778.471804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.471804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.471804 (E_RNA) where: Base-Base interactions energy: -1165.949 where: short stacking energy: -511.364 Base-Backbone interact. energy: -2.032 local terms energy: -610.490168 where: bonds (distance) C4'-P energy: -107.063 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -135.219 flat angles P-C4'-P energy: -94.461 tors. eta vs tors. theta energy: -163.083 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: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1668.384859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.384859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.384859 (E_RNA) where: Base-Base interactions energy: -1094.875 where: short stacking energy: -506.682 Base-Backbone interact. energy: -1.634 local terms energy: -571.875388 where: bonds (distance) C4'-P energy: -126.921 bonds (distance) P-C4' energy: -110.091 flat angles C4'-P-C4' energy: -116.243 flat angles P-C4'-P energy: -77.186 tors. eta vs tors. theta energy: -141.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1534.440773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.440773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.440773 (E_RNA) where: Base-Base interactions energy: -1025.461 where: short stacking energy: -437.838 Base-Backbone interact. energy: 2.644 local terms energy: -511.624257 where: bonds (distance) C4'-P energy: -92.937 bonds (distance) P-C4' energy: -116.420 flat angles C4'-P-C4' energy: -103.156 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: -123.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1481.482263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.482263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.482263 (E_RNA) where: Base-Base interactions energy: -997.985 where: short stacking energy: -429.557 Base-Backbone interact. energy: -1.473 local terms energy: -482.024200 where: bonds (distance) C4'-P energy: -97.519 bonds (distance) P-C4' energy: -90.976 flat angles C4'-P-C4' energy: -118.880 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -104.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1081.261156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.261156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.261156 (E_RNA) where: Base-Base interactions energy: -647.750 where: short stacking energy: -295.102 Base-Backbone interact. energy: -0.188 local terms energy: -433.322751 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -118.239 flat angles C4'-P-C4' energy: -102.384 flat angles P-C4'-P energy: -53.442 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: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -914.181609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.181609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.181609 (E_RNA) where: Base-Base interactions energy: -540.086 where: short stacking energy: -269.632 Base-Backbone interact. energy: -1.751 local terms energy: -372.344873 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -88.731 flat angles C4'-P-C4' energy: -93.138 flat angles P-C4'-P energy: -44.589 tors. eta vs tors. theta energy: -37.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -591.117824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.117824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.117824 (E_RNA) where: Base-Base interactions energy: -264.039 where: short stacking energy: -178.903 Base-Backbone interact. energy: 1.103 local terms energy: -328.181969 where: bonds (distance) C4'-P energy: -98.435 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -80.768 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -456.181770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.181770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.181770 (E_RNA) where: Base-Base interactions energy: -150.454 where: short stacking energy: -123.070 Base-Backbone interact. energy: -0.511 local terms energy: -305.217148 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -112.293 flat angles C4'-P-C4' energy: -92.736 flat angles P-C4'-P energy: -31.156 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1900.031281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.031281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.031281 (E_RNA) where: Base-Base interactions energy: -1292.826 where: short stacking energy: -532.865 Base-Backbone interact. energy: -0.158 local terms energy: -607.047496 where: bonds (distance) C4'-P energy: -121.175 bonds (distance) P-C4' energy: -108.291 flat angles C4'-P-C4' energy: -129.610 flat angles P-C4'-P energy: -91.148 tors. eta vs tors. theta energy: -156.823 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: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1827.635481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.635481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.635481 (E_RNA) where: Base-Base interactions energy: -1257.624 where: short stacking energy: -511.503 Base-Backbone interact. energy: -1.544 local terms energy: -568.467320 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -111.501 flat angles C4'-P-C4' energy: -123.068 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: -142.788 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: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1727.413487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.413487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.413487 (E_RNA) where: Base-Base interactions energy: -1145.516 where: short stacking energy: -521.370 Base-Backbone interact. energy: -3.309 local terms energy: -578.588335 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -118.506 flat angles C4'-P-C4' energy: -108.481 flat angles P-C4'-P energy: -79.724 tors. eta vs tors. theta energy: -154.891 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1629.463655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.463655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.463655 (E_RNA) where: Base-Base interactions energy: -1085.888 where: short stacking energy: -519.851 Base-Backbone interact. energy: -2.480 local terms energy: -541.095109 where: bonds (distance) C4'-P energy: -98.907 bonds (distance) P-C4' energy: -113.809 flat angles C4'-P-C4' energy: -120.742 flat angles P-C4'-P energy: -74.943 tors. eta vs tors. theta energy: -132.694 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: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1540.099458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.099458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.099458 (E_RNA) where: Base-Base interactions energy: -1007.204 where: short stacking energy: -452.843 Base-Backbone interact. energy: -4.363 local terms energy: -528.532757 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -103.735 flat angles C4'-P-C4' energy: -128.575 flat angles P-C4'-P energy: -71.898 tors. eta vs tors. theta energy: -124.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1478.510833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.510833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.510833 (E_RNA) where: Base-Base interactions energy: -969.305 where: short stacking energy: -421.860 Base-Backbone interact. energy: -1.574 local terms energy: -507.631527 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -102.097 flat angles C4'-P-C4' energy: -114.598 flat angles P-C4'-P energy: -68.556 tors. eta vs tors. theta energy: -125.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1044.465431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.465431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.465431 (E_RNA) where: Base-Base interactions energy: -641.087 where: short stacking energy: -296.275 Base-Backbone interact. energy: -1.005 local terms energy: -402.373564 where: bonds (distance) C4'-P energy: -96.165 bonds (distance) P-C4' energy: -106.126 flat angles C4'-P-C4' energy: -100.350 flat angles P-C4'-P energy: -50.765 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: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -866.591601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.591601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.591601 (E_RNA) where: Base-Base interactions energy: -480.012 where: short stacking energy: -233.384 Base-Backbone interact. energy: 3.409 local terms energy: -389.988791 where: bonds (distance) C4'-P energy: -89.076 bonds (distance) P-C4' energy: -103.959 flat angles C4'-P-C4' energy: -111.806 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -28.852 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: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -589.389866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.389866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.389866 (E_RNA) where: Base-Base interactions energy: -279.579 where: short stacking energy: -212.916 Base-Backbone interact. energy: -0.015 local terms energy: -309.796152 where: bonds (distance) C4'-P energy: -78.144 bonds (distance) P-C4' energy: -92.079 flat angles C4'-P-C4' energy: -73.978 flat angles P-C4'-P energy: -56.639 tors. eta vs tors. theta energy: -8.956 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: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -444.690473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.690473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.690473 (E_RNA) where: Base-Base interactions energy: -146.438 where: short stacking energy: -108.462 Base-Backbone interact. energy: 1.462 local terms energy: -299.714576 where: bonds (distance) C4'-P energy: -76.459 bonds (distance) P-C4' energy: -110.891 flat angles C4'-P-C4' energy: -83.432 flat angles P-C4'-P energy: -52.096 tors. eta vs tors. theta energy: 23.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1878.621894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.621894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.621894 (E_RNA) where: Base-Base interactions energy: -1279.985 where: short stacking energy: -533.363 Base-Backbone interact. energy: -0.964 local terms energy: -597.673098 where: bonds (distance) C4'-P energy: -127.091 bonds (distance) P-C4' energy: -106.109 flat angles C4'-P-C4' energy: -120.913 flat angles P-C4'-P energy: -90.730 tors. eta vs tors. theta energy: -152.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1861.362364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.362364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.362364 (E_RNA) where: Base-Base interactions energy: -1286.133 where: short stacking energy: -530.791 Base-Backbone interact. energy: -3.321 local terms energy: -571.908771 where: bonds (distance) C4'-P energy: -104.022 bonds (distance) P-C4' energy: -106.124 flat angles C4'-P-C4' energy: -123.579 flat angles P-C4'-P energy: -81.906 tors. eta vs tors. theta energy: -156.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1774.360120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.360120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.360120 (E_RNA) where: Base-Base interactions energy: -1219.473 where: short stacking energy: -515.926 Base-Backbone interact. energy: -1.308 local terms energy: -553.579041 where: bonds (distance) C4'-P energy: -117.755 bonds (distance) P-C4' energy: -99.857 flat angles C4'-P-C4' energy: -123.781 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -148.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1670.202702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.202702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.202702 (E_RNA) where: Base-Base interactions energy: -1117.693 where: short stacking energy: -538.871 Base-Backbone interact. energy: 0.410 local terms energy: -552.919470 where: bonds (distance) C4'-P energy: -110.104 bonds (distance) P-C4' energy: -101.111 flat angles C4'-P-C4' energy: -108.881 flat angles P-C4'-P energy: -78.544 tors. eta vs tors. theta energy: -154.278 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: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1548.805209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.805209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.805209 (E_RNA) where: Base-Base interactions energy: -1018.837 where: short stacking energy: -468.069 Base-Backbone interact. energy: -2.427 local terms energy: -527.541006 where: bonds (distance) C4'-P energy: -110.211 bonds (distance) P-C4' energy: -115.633 flat angles C4'-P-C4' energy: -114.048 flat angles P-C4'-P energy: -68.302 tors. eta vs tors. theta energy: -119.347 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: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1441.042636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.042636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.042636 (E_RNA) where: Base-Base interactions energy: -957.833 where: short stacking energy: -432.570 Base-Backbone interact. energy: -1.286 local terms energy: -481.923656 where: bonds (distance) C4'-P energy: -97.249 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -105.304 flat angles P-C4'-P energy: -56.661 tors. eta vs tors. theta energy: -111.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1068.405276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.405276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.405276 (E_RNA) where: Base-Base interactions energy: -651.831 where: short stacking energy: -307.518 Base-Backbone interact. energy: -1.308 local terms energy: -415.265683 where: bonds (distance) C4'-P energy: -108.855 bonds (distance) P-C4' energy: -97.950 flat angles C4'-P-C4' energy: -94.932 flat angles P-C4'-P energy: -52.428 tors. eta vs tors. theta energy: -61.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -862.747719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.747719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.747719 (E_RNA) where: Base-Base interactions energy: -472.250 where: short stacking energy: -250.551 Base-Backbone interact. energy: 2.090 local terms energy: -392.587478 where: bonds (distance) C4'-P energy: -102.082 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -81.557 flat angles P-C4'-P energy: -56.192 tors. eta vs tors. theta energy: -42.280 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: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -549.741128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.741128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.741128 (E_RNA) where: Base-Base interactions energy: -227.417 where: short stacking energy: -130.400 Base-Backbone interact. energy: -0.624 local terms energy: -321.699983 where: bonds (distance) C4'-P energy: -94.971 bonds (distance) P-C4' energy: -86.539 flat angles C4'-P-C4' energy: -96.645 flat angles P-C4'-P energy: -49.165 tors. eta vs tors. theta energy: 5.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -474.743694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.743694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.743694 (E_RNA) where: Base-Base interactions energy: -190.258 where: short stacking energy: -128.952 Base-Backbone interact. energy: 2.764 local terms energy: -287.250214 where: bonds (distance) C4'-P energy: -98.340 bonds (distance) P-C4' energy: -99.994 flat angles C4'-P-C4' energy: -82.638 flat angles P-C4'-P energy: -30.671 tors. eta vs tors. theta energy: 24.393 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: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1898.587274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.587274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.587274 (E_RNA) where: Base-Base interactions energy: -1296.361 where: short stacking energy: -552.047 Base-Backbone interact. energy: 1.323 local terms energy: -603.549312 where: bonds (distance) C4'-P energy: -116.147 bonds (distance) P-C4' energy: -118.880 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -76.842 tors. eta vs tors. theta energy: -156.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1854.874777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.874777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.874777 (E_RNA) where: Base-Base interactions energy: -1270.849 where: short stacking energy: -544.147 Base-Backbone interact. energy: -3.608 local terms energy: -580.417877 where: bonds (distance) C4'-P energy: -109.816 bonds (distance) P-C4' energy: -101.526 flat angles C4'-P-C4' energy: -137.694 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -151.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1777.623998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.623998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.623998 (E_RNA) where: Base-Base interactions energy: -1201.502 where: short stacking energy: -531.316 Base-Backbone interact. energy: -3.975 local terms energy: -572.146664 where: bonds (distance) C4'-P energy: -105.244 bonds (distance) P-C4' energy: -116.893 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -155.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1612.794272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.794272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.794272 (E_RNA) where: Base-Base interactions energy: -1056.412 where: short stacking energy: -488.732 Base-Backbone interact. energy: -3.182 local terms energy: -553.199776 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -108.705 flat angles C4'-P-C4' energy: -116.974 flat angles P-C4'-P energy: -83.073 tors. eta vs tors. theta energy: -144.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1526.230710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.230710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.230710 (E_RNA) where: Base-Base interactions energy: -999.501 where: short stacking energy: -476.844 Base-Backbone interact. energy: -1.682 local terms energy: -525.048287 where: bonds (distance) C4'-P energy: -97.652 bonds (distance) P-C4' energy: -114.388 flat angles C4'-P-C4' energy: -116.061 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -123.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1420.154295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.154295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.154295 (E_RNA) where: Base-Base interactions energy: -924.898 where: short stacking energy: -411.871 Base-Backbone interact. energy: -1.821 local terms energy: -493.435589 where: bonds (distance) C4'-P energy: -108.827 bonds (distance) P-C4' energy: -106.194 flat angles C4'-P-C4' energy: -108.876 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -103.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1092.662233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.662233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.662233 (E_RNA) where: Base-Base interactions energy: -675.942 where: short stacking energy: -314.321 Base-Backbone interact. energy: -0.742 local terms energy: -415.977737 where: bonds (distance) C4'-P energy: -91.705 bonds (distance) P-C4' energy: -109.323 flat angles C4'-P-C4' energy: -113.664 flat angles P-C4'-P energy: -54.799 tors. eta vs tors. theta energy: -46.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -892.690621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.690621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.690621 (E_RNA) where: Base-Base interactions energy: -480.564 where: short stacking energy: -270.009 Base-Backbone interact. energy: 8.610 local terms energy: -420.737210 where: bonds (distance) C4'-P energy: -88.727 bonds (distance) P-C4' energy: -121.906 flat angles C4'-P-C4' energy: -93.986 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -50.478 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: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -583.359795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.359795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.359795 (E_RNA) where: Base-Base interactions energy: -257.948 where: short stacking energy: -179.838 Base-Backbone interact. energy: 0.216 local terms energy: -325.627731 where: bonds (distance) C4'-P energy: -81.862 bonds (distance) P-C4' energy: -105.265 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: -0.281 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: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -475.976967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.976967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.976967 (E_RNA) where: Base-Base interactions energy: -156.373 where: short stacking energy: -136.067 Base-Backbone interact. energy: 5.004 local terms energy: -324.607855 where: bonds (distance) C4'-P energy: -102.020 bonds (distance) P-C4' energy: -102.325 flat angles C4'-P-C4' energy: -84.616 flat angles P-C4'-P energy: -41.587 tors. eta vs tors. theta energy: 5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1899.161795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.161795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.161795 (E_RNA) where: Base-Base interactions energy: -1307.166 where: short stacking energy: -569.001 Base-Backbone interact. energy: 0.810 local terms energy: -592.805173 where: bonds (distance) C4'-P energy: -106.084 bonds (distance) P-C4' energy: -121.664 flat angles C4'-P-C4' energy: -125.653 flat angles P-C4'-P energy: -88.862 tors. eta vs tors. theta energy: -150.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1870.806314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.806314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.806314 (E_RNA) where: Base-Base interactions energy: -1285.465 where: short stacking energy: -532.237 Base-Backbone interact. energy: -4.089 local terms energy: -581.251992 where: bonds (distance) C4'-P energy: -104.758 bonds (distance) P-C4' energy: -114.513 flat angles C4'-P-C4' energy: -130.939 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -149.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1767.260167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.260167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.260167 (E_RNA) where: Base-Base interactions energy: -1175.712 where: short stacking energy: -483.864 Base-Backbone interact. energy: -2.977 local terms energy: -588.570555 where: bonds (distance) C4'-P energy: -104.310 bonds (distance) P-C4' energy: -112.905 flat angles C4'-P-C4' energy: -138.910 flat angles P-C4'-P energy: -84.895 tors. eta vs tors. theta energy: -147.550 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: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1658.426122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.426122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.426122 (E_RNA) where: Base-Base interactions energy: -1085.314 where: short stacking energy: -510.917 Base-Backbone interact. energy: -0.255 local terms energy: -572.857547 where: bonds (distance) C4'-P energy: -115.342 bonds (distance) P-C4' energy: -114.902 flat angles C4'-P-C4' energy: -110.633 flat angles P-C4'-P energy: -81.037 tors. eta vs tors. theta energy: -150.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1562.611513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.611513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.611513 (E_RNA) where: Base-Base interactions energy: -1021.227 where: short stacking energy: -468.964 Base-Backbone interact. energy: 0.682 local terms energy: -542.066927 where: bonds (distance) C4'-P energy: -96.867 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -112.936 flat angles P-C4'-P energy: -68.803 tors. eta vs tors. theta energy: -142.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1440.369704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.369704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.369704 (E_RNA) where: Base-Base interactions energy: -965.860 where: short stacking energy: -422.942 Base-Backbone interact. energy: 1.087 local terms energy: -475.596284 where: bonds (distance) C4'-P energy: -101.231 bonds (distance) P-C4' energy: -91.276 flat angles C4'-P-C4' energy: -94.949 flat angles P-C4'-P energy: -75.339 tors. eta vs tors. theta energy: -112.801 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: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1121.421271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.421271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.421271 (E_RNA) where: Base-Base interactions energy: -699.780 where: short stacking energy: -308.260 Base-Backbone interact. energy: -2.957 local terms energy: -418.684120 where: bonds (distance) C4'-P energy: -98.601 bonds (distance) P-C4' energy: -109.356 flat angles C4'-P-C4' energy: -91.533 flat angles P-C4'-P energy: -63.420 tors. eta vs tors. theta energy: -55.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -931.621682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.621682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.621682 (E_RNA) where: Base-Base interactions energy: -552.971 where: short stacking energy: -275.880 Base-Backbone interact. energy: -3.653 local terms energy: -374.997812 where: bonds (distance) C4'-P energy: -92.373 bonds (distance) P-C4' energy: -89.007 flat angles C4'-P-C4' energy: -88.475 flat angles P-C4'-P energy: -53.949 tors. eta vs tors. theta energy: -51.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -571.368815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.368815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.368815 (E_RNA) where: Base-Base interactions energy: -232.098 where: short stacking energy: -146.131 Base-Backbone interact. energy: 1.910 local terms energy: -341.180583 where: bonds (distance) C4'-P energy: -101.625 bonds (distance) P-C4' energy: -102.908 flat angles C4'-P-C4' energy: -84.678 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: 10.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -439.147841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.147841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.147841 (E_RNA) where: Base-Base interactions energy: -164.276 where: short stacking energy: -120.352 Base-Backbone interact. energy: -3.158 local terms energy: -271.714003 where: bonds (distance) C4'-P energy: -82.096 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -40.908 tors. eta vs tors. theta energy: 26.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1924.498421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.498421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.498421 (E_RNA) where: Base-Base interactions energy: -1329.714 where: short stacking energy: -590.661 Base-Backbone interact. energy: -2.165 local terms energy: -592.618973 where: bonds (distance) C4'-P energy: -109.809 bonds (distance) P-C4' energy: -109.743 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -74.753 tors. eta vs tors. theta energy: -165.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1854.247058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.247058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.247058 (E_RNA) where: Base-Base interactions energy: -1262.808 where: short stacking energy: -519.657 Base-Backbone interact. energy: -4.511 local terms energy: -586.927705 where: bonds (distance) C4'-P energy: -114.881 bonds (distance) P-C4' energy: -105.460 flat angles C4'-P-C4' energy: -143.479 flat angles P-C4'-P energy: -86.433 tors. eta vs tors. theta energy: -136.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1783.206648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.206648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.206648 (E_RNA) where: Base-Base interactions energy: -1213.819 where: short stacking energy: -549.315 Base-Backbone interact. energy: -2.593 local terms energy: -566.794815 where: bonds (distance) C4'-P energy: -100.768 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -136.559 flat angles P-C4'-P energy: -69.530 tors. eta vs tors. theta energy: -150.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1690.067801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.067801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.067801 (E_RNA) where: Base-Base interactions energy: -1125.560 where: short stacking energy: -534.437 Base-Backbone interact. energy: -0.890 local terms energy: -563.617547 where: bonds (distance) C4'-P energy: -90.837 bonds (distance) P-C4' energy: -109.640 flat angles C4'-P-C4' energy: -125.400 flat angles P-C4'-P energy: -82.637 tors. eta vs tors. theta energy: -155.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1527.102534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.102534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.102534 (E_RNA) where: Base-Base interactions energy: -1004.183 where: short stacking energy: -421.494 Base-Backbone interact. energy: -1.305 local terms energy: -521.614505 where: bonds (distance) C4'-P energy: -96.171 bonds (distance) P-C4' energy: -116.585 flat angles C4'-P-C4' energy: -119.765 flat angles P-C4'-P energy: -80.028 tors. eta vs tors. theta energy: -109.066 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: 130 Temperature: 1.150000 Total energy: -1433.704168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.704168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.704168 (E_RNA) where: Base-Base interactions energy: -921.018 where: short stacking energy: -407.617 Base-Backbone interact. energy: -1.961 local terms energy: -510.725456 where: bonds (distance) C4'-P energy: -108.555 bonds (distance) P-C4' energy: -110.784 flat angles C4'-P-C4' energy: -109.685 flat angles P-C4'-P energy: -74.752 tors. eta vs tors. theta energy: -106.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1104.742179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.742179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.742179 (E_RNA) where: Base-Base interactions energy: -688.586 where: short stacking energy: -322.307 Base-Backbone interact. energy: -1.659 local terms energy: -414.496940 where: bonds (distance) C4'-P energy: -87.966 bonds (distance) P-C4' energy: -95.918 flat angles C4'-P-C4' energy: -101.746 flat angles P-C4'-P energy: -67.431 tors. eta vs tors. theta energy: -61.437 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: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -923.750844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.750844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.750844 (E_RNA) where: Base-Base interactions energy: -545.853 where: short stacking energy: -273.389 Base-Backbone interact. energy: -1.124 local terms energy: -376.774016 where: bonds (distance) C4'-P energy: -77.426 bonds (distance) P-C4' energy: -89.583 flat angles C4'-P-C4' energy: -104.556 flat angles P-C4'-P energy: -56.269 tors. eta vs tors. theta energy: -48.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -586.950461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.950461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.950461 (E_RNA) where: Base-Base interactions energy: -247.442 where: short stacking energy: -162.161 Base-Backbone interact. energy: -0.035 local terms energy: -339.472927 where: bonds (distance) C4'-P energy: -84.160 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -98.250 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: 6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -480.894541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.894541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.894541 (E_RNA) where: Base-Base interactions energy: -168.702 where: short stacking energy: -150.538 Base-Backbone interact. energy: 2.558 local terms energy: -314.751020 where: bonds (distance) C4'-P energy: -67.927 bonds (distance) P-C4' energy: -102.617 flat angles C4'-P-C4' energy: -74.465 flat angles P-C4'-P energy: -52.320 tors. eta vs tors. theta energy: -17.422 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: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1934.832517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.832517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.832517 (E_RNA) where: Base-Base interactions energy: -1320.296 where: short stacking energy: -561.272 Base-Backbone interact. energy: -1.131 local terms energy: -613.405528 where: bonds (distance) C4'-P energy: -109.386 bonds (distance) P-C4' energy: -122.188 flat angles C4'-P-C4' energy: -127.313 flat angles P-C4'-P energy: -86.907 tors. eta vs tors. theta energy: -167.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1893.844403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.844403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.844403 (E_RNA) where: Base-Base interactions energy: -1291.519 where: short stacking energy: -570.412 Base-Backbone interact. energy: -1.955 local terms energy: -600.370339 where: bonds (distance) C4'-P energy: -108.618 bonds (distance) P-C4' energy: -117.437 flat angles C4'-P-C4' energy: -121.963 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -170.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1810.387378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.387378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.387378 (E_RNA) where: Base-Base interactions energy: -1233.235 where: short stacking energy: -506.146 Base-Backbone interact. energy: -1.092 local terms energy: -576.060552 where: bonds (distance) C4'-P energy: -102.176 bonds (distance) P-C4' energy: -119.724 flat angles C4'-P-C4' energy: -127.703 flat angles P-C4'-P energy: -84.994 tors. eta vs tors. theta energy: -141.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1608.419580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.419580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.419580 (E_RNA) where: Base-Base interactions energy: -1051.015 where: short stacking energy: -463.980 Base-Backbone interact. energy: -0.648 local terms energy: -556.757251 where: bonds (distance) C4'-P energy: -118.357 bonds (distance) P-C4' energy: -107.953 flat angles C4'-P-C4' energy: -115.379 flat angles P-C4'-P energy: -74.238 tors. eta vs tors. theta energy: -140.830 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: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1510.011179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.011179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.011179 (E_RNA) where: Base-Base interactions energy: -992.330 where: short stacking energy: -429.952 Base-Backbone interact. energy: -0.629 local terms energy: -517.052371 where: bonds (distance) C4'-P energy: -103.516 bonds (distance) P-C4' energy: -101.600 flat angles C4'-P-C4' energy: -125.650 flat angles P-C4'-P energy: -75.582 tors. eta vs tors. theta energy: -110.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1475.781869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.781869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.781869 (E_RNA) where: Base-Base interactions energy: -970.442 where: short stacking energy: -407.025 Base-Backbone interact. energy: 5.247 local terms energy: -510.587096 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -104.714 flat angles C4'-P-C4' energy: -113.812 flat angles P-C4'-P energy: -80.333 tors. eta vs tors. theta energy: -122.417 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: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1113.952899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.952899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.952899 (E_RNA) where: Base-Base interactions energy: -694.938 where: short stacking energy: -321.771 Base-Backbone interact. energy: 2.311 local terms energy: -421.326263 where: bonds (distance) C4'-P energy: -101.860 bonds (distance) P-C4' energy: -106.155 flat angles C4'-P-C4' energy: -90.310 flat angles P-C4'-P energy: -67.256 tors. eta vs tors. theta energy: -55.746 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: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -901.620786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.620786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.620786 (E_RNA) where: Base-Base interactions energy: -490.364 where: short stacking energy: -249.767 Base-Backbone interact. energy: -1.642 local terms energy: -409.615602 where: bonds (distance) C4'-P energy: -99.425 bonds (distance) P-C4' energy: -96.891 flat angles C4'-P-C4' energy: -110.348 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -45.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -682.815666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.815666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.815666 (E_RNA) where: Base-Base interactions energy: -342.443 where: short stacking energy: -190.739 Base-Backbone interact. energy: 1.738 local terms energy: -342.111484 where: bonds (distance) C4'-P energy: -100.978 bonds (distance) P-C4' energy: -96.258 flat angles C4'-P-C4' energy: -86.579 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -8.195 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: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -452.352202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.352202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.352202 (E_RNA) where: Base-Base interactions energy: -175.078 where: short stacking energy: -159.820 Base-Backbone interact. energy: 3.947 local terms energy: -281.221343 where: bonds (distance) C4'-P energy: -65.662 bonds (distance) P-C4' energy: -101.180 flat angles C4'-P-C4' energy: -81.479 flat angles P-C4'-P energy: -37.731 tors. eta vs tors. theta energy: 4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1913.490937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.490937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.490937 (E_RNA) where: Base-Base interactions energy: -1308.087 where: short stacking energy: -567.615 Base-Backbone interact. energy: -1.956 local terms energy: -603.448032 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -109.371 flat angles C4'-P-C4' energy: -130.786 flat angles P-C4'-P energy: -93.263 tors. eta vs tors. theta energy: -156.746 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: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1820.193158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.193158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.193158 (E_RNA) where: Base-Base interactions energy: -1234.089 where: short stacking energy: -541.645 Base-Backbone interact. energy: 0.655 local terms energy: -586.758908 where: bonds (distance) C4'-P energy: -116.747 bonds (distance) P-C4' energy: -117.845 flat angles C4'-P-C4' energy: -121.881 flat angles P-C4'-P energy: -75.034 tors. eta vs tors. theta energy: -155.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1822.724542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.724542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.724542 (E_RNA) where: Base-Base interactions energy: -1254.243 where: short stacking energy: -533.759 Base-Backbone interact. energy: -3.424 local terms energy: -565.056791 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -113.398 flat angles C4'-P-C4' energy: -123.264 flat angles P-C4'-P energy: -82.514 tors. eta vs tors. theta energy: -140.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1639.651664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.651664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.651664 (E_RNA) where: Base-Base interactions energy: -1098.992 where: short stacking energy: -497.564 Base-Backbone interact. energy: -0.575 local terms energy: -540.085285 where: bonds (distance) C4'-P energy: -87.269 bonds (distance) P-C4' energy: -119.825 flat angles C4'-P-C4' energy: -112.539 flat angles P-C4'-P energy: -88.228 tors. eta vs tors. theta energy: -132.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1554.060095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.060095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.060095 (E_RNA) where: Base-Base interactions energy: -1020.755 where: short stacking energy: -446.337 Base-Backbone interact. energy: -0.977 local terms energy: -532.328145 where: bonds (distance) C4'-P energy: -81.409 bonds (distance) P-C4' energy: -114.474 flat angles C4'-P-C4' energy: -127.368 flat angles P-C4'-P energy: -81.815 tors. eta vs tors. theta energy: -127.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1546.602083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.602083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.602083 (E_RNA) where: Base-Base interactions energy: -1024.391 where: short stacking energy: -427.046 Base-Backbone interact. energy: 2.098 local terms energy: -524.309432 where: bonds (distance) C4'-P energy: -111.971 bonds (distance) P-C4' energy: -99.448 flat angles C4'-P-C4' energy: -118.252 flat angles P-C4'-P energy: -81.247 tors. eta vs tors. theta energy: -113.392 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: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1144.919464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.919464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.919464 (E_RNA) where: Base-Base interactions energy: -709.570 where: short stacking energy: -328.816 Base-Backbone interact. energy: -1.155 local terms energy: -434.194667 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -94.960 flat angles P-C4'-P energy: -71.725 tors. eta vs tors. theta energy: -64.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -897.519029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.519029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.519029 (E_RNA) where: Base-Base interactions energy: -525.021 where: short stacking energy: -265.096 Base-Backbone interact. energy: 1.366 local terms energy: -373.864450 where: bonds (distance) C4'-P energy: -82.628 bonds (distance) P-C4' energy: -107.177 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -34.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -673.532794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.532794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.532794 (E_RNA) where: Base-Base interactions energy: -305.925 where: short stacking energy: -193.756 Base-Backbone interact. energy: 0.503 local terms energy: -368.110085 where: bonds (distance) C4'-P energy: -111.693 bonds (distance) P-C4' energy: -91.102 flat angles C4'-P-C4' energy: -95.375 flat angles P-C4'-P energy: -59.530 tors. eta vs tors. theta energy: -10.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -445.973169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.973169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.973169 (E_RNA) where: Base-Base interactions energy: -149.586 where: short stacking energy: -120.138 Base-Backbone interact. energy: 4.083 local terms energy: -300.470237 where: bonds (distance) C4'-P energy: -93.707 bonds (distance) P-C4' energy: -95.405 flat angles C4'-P-C4' energy: -80.937 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: 23.306 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: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1938.036369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.036369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.036369 (E_RNA) where: Base-Base interactions energy: -1324.720 where: short stacking energy: -545.174 Base-Backbone interact. energy: -2.695 local terms energy: -610.621426 where: bonds (distance) C4'-P energy: -104.974 bonds (distance) P-C4' energy: -128.964 flat angles C4'-P-C4' energy: -134.337 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -155.255 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: 133 Temperature: 0.950000 Total energy: -1860.326663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.326663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.326663 (E_RNA) where: Base-Base interactions energy: -1289.692 where: short stacking energy: -545.421 Base-Backbone interact. energy: -3.461 local terms energy: -567.174319 where: bonds (distance) C4'-P energy: -107.315 bonds (distance) P-C4' energy: -101.314 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -78.793 tors. eta vs tors. theta energy: -141.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1742.351311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.351311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.351311 (E_RNA) where: Base-Base interactions energy: -1166.946 where: short stacking energy: -518.093 Base-Backbone interact. energy: -5.232 local terms energy: -570.173530 where: bonds (distance) C4'-P energy: -106.817 bonds (distance) P-C4' energy: -115.126 flat angles C4'-P-C4' energy: -127.317 flat angles P-C4'-P energy: -69.784 tors. eta vs tors. theta energy: -151.129 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: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1719.441567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.441567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.441567 (E_RNA) where: Base-Base interactions energy: -1115.657 where: short stacking energy: -534.428 Base-Backbone interact. energy: -0.748 local terms energy: -603.036693 where: bonds (distance) C4'-P energy: -121.026 bonds (distance) P-C4' energy: -105.341 flat angles C4'-P-C4' energy: -129.632 flat angles P-C4'-P energy: -91.234 tors. eta vs tors. theta energy: -155.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1561.884722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.884722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.884722 (E_RNA) where: Base-Base interactions energy: -1011.556 where: short stacking energy: -443.047 Base-Backbone interact. energy: -2.586 local terms energy: -547.742716 where: bonds (distance) C4'-P energy: -104.699 bonds (distance) P-C4' energy: -107.231 flat angles C4'-P-C4' energy: -127.314 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -130.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1486.489190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.489190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.489190 (E_RNA) where: Base-Base interactions energy: -994.026 where: short stacking energy: -433.268 Base-Backbone interact. energy: -1.728 local terms energy: -490.735355 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -102.261 flat angles C4'-P-C4' energy: -102.710 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -111.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1181.588649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.588649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.588649 (E_RNA) where: Base-Base interactions energy: -753.446 where: short stacking energy: -362.077 Base-Backbone interact. energy: -3.074 local terms energy: -425.069162 where: bonds (distance) C4'-P energy: -95.194 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -95.541 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -76.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -940.245255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.245255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.245255 (E_RNA) where: Base-Base interactions energy: -553.288 where: short stacking energy: -293.636 Base-Backbone interact. energy: -3.146 local terms energy: -383.811253 where: bonds (distance) C4'-P energy: -100.618 bonds (distance) P-C4' energy: -86.233 flat angles C4'-P-C4' energy: -94.033 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -37.828 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: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -660.137799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.137799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.137799 (E_RNA) where: Base-Base interactions energy: -337.992 where: short stacking energy: -187.141 Base-Backbone interact. energy: -0.653 local terms energy: -321.493474 where: bonds (distance) C4'-P energy: -91.333 bonds (distance) P-C4' energy: -105.666 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -479.895022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.895022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.895022 (E_RNA) where: Base-Base interactions energy: -199.234 where: short stacking energy: -151.736 Base-Backbone interact. energy: -0.868 local terms energy: -279.792910 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -87.966 flat angles C4'-P-C4' energy: -80.023 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: 26.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1923.575942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.575942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.575942 (E_RNA) where: Base-Base interactions energy: -1309.483 where: short stacking energy: -562.429 Base-Backbone interact. energy: -1.915 local terms energy: -612.178353 where: bonds (distance) C4'-P energy: -117.776 bonds (distance) P-C4' energy: -117.639 flat angles C4'-P-C4' energy: -126.250 flat angles P-C4'-P energy: -85.125 tors. eta vs tors. theta energy: -165.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1872.905031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.905031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.905031 (E_RNA) where: Base-Base interactions energy: -1307.822 where: short stacking energy: -545.746 Base-Backbone interact. energy: 0.828 local terms energy: -565.911057 where: bonds (distance) C4'-P energy: -109.026 bonds (distance) P-C4' energy: -93.838 flat angles C4'-P-C4' energy: -131.634 flat angles P-C4'-P energy: -82.045 tors. eta vs tors. theta energy: -149.367 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: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1731.556674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.556674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.556674 (E_RNA) where: Base-Base interactions energy: -1152.274 where: short stacking energy: -535.123 Base-Backbone interact. energy: -1.088 local terms energy: -578.194670 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -114.328 flat angles C4'-P-C4' energy: -118.297 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: -154.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1697.406652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.406652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.406652 (E_RNA) where: Base-Base interactions energy: -1147.150 where: short stacking energy: -501.668 Base-Backbone interact. energy: 0.978 local terms energy: -551.233926 where: bonds (distance) C4'-P energy: -109.799 bonds (distance) P-C4' energy: -100.442 flat angles C4'-P-C4' energy: -122.583 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -141.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1557.338256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.338256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.338256 (E_RNA) where: Base-Base interactions energy: -1005.817 where: short stacking energy: -455.851 Base-Backbone interact. energy: -0.894 local terms energy: -550.626460 where: bonds (distance) C4'-P energy: -109.734 bonds (distance) P-C4' energy: -122.702 flat angles C4'-P-C4' energy: -105.512 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: -136.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1526.165311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.165311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.165311 (E_RNA) where: Base-Base interactions energy: -1037.833 where: short stacking energy: -443.316 Base-Backbone interact. energy: -4.244 local terms energy: -484.087847 where: bonds (distance) C4'-P energy: -97.782 bonds (distance) P-C4' energy: -84.922 flat angles C4'-P-C4' energy: -105.687 flat angles P-C4'-P energy: -74.611 tors. eta vs tors. theta energy: -121.085 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: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1197.191146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.191146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.191146 (E_RNA) where: Base-Base interactions energy: -773.474 where: short stacking energy: -348.715 Base-Backbone interact. energy: -1.042 local terms energy: -422.675320 where: bonds (distance) C4'-P energy: -110.233 bonds (distance) P-C4' energy: -88.591 flat angles C4'-P-C4' energy: -96.740 flat angles P-C4'-P energy: -60.821 tors. eta vs tors. theta energy: -66.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -992.425560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.425560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.425560 (E_RNA) where: Base-Base interactions energy: -578.971 where: short stacking energy: -287.736 Base-Backbone interact. energy: -0.016 local terms energy: -413.437891 where: bonds (distance) C4'-P energy: -85.237 bonds (distance) P-C4' energy: -107.025 flat angles C4'-P-C4' energy: -103.809 flat angles P-C4'-P energy: -56.479 tors. eta vs tors. theta energy: -60.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -656.393899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.393899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.393899 (E_RNA) where: Base-Base interactions energy: -331.254 where: short stacking energy: -194.356 Base-Backbone interact. energy: 2.428 local terms energy: -327.568154 where: bonds (distance) C4'-P energy: -87.497 bonds (distance) P-C4' energy: -101.011 flat angles C4'-P-C4' energy: -83.173 flat angles P-C4'-P energy: -51.411 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -496.737666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.737666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.737666 (E_RNA) where: Base-Base interactions energy: -230.261 where: short stacking energy: -142.718 Base-Backbone interact. energy: 1.188 local terms energy: -267.664159 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -119.611 flat angles C4'-P-C4' energy: -63.842 flat angles P-C4'-P energy: -0.334 tors. eta vs tors. theta energy: 17.658 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: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1900.873224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.873224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.873224 (E_RNA) where: Base-Base interactions energy: -1301.328 where: short stacking energy: -555.866 Base-Backbone interact. energy: -0.767 local terms energy: -598.778048 where: bonds (distance) C4'-P energy: -111.160 bonds (distance) P-C4' energy: -123.991 flat angles C4'-P-C4' energy: -121.366 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -167.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1863.440935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.440935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.440935 (E_RNA) where: Base-Base interactions energy: -1302.418 where: short stacking energy: -542.717 Base-Backbone interact. energy: -1.840 local terms energy: -559.182860 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -110.028 flat angles C4'-P-C4' energy: -122.289 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -142.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1766.985756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.985756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.985756 (E_RNA) where: Base-Base interactions energy: -1167.497 where: short stacking energy: -546.462 Base-Backbone interact. energy: -0.117 local terms energy: -599.371224 where: bonds (distance) C4'-P energy: -125.003 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -119.532 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -162.453 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: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1687.310621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.310621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.310621 (E_RNA) where: Base-Base interactions energy: -1122.561 where: short stacking energy: -495.889 Base-Backbone interact. energy: 1.207 local terms energy: -565.956212 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -109.457 flat angles C4'-P-C4' energy: -124.419 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -147.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1576.437153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.437153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.437153 (E_RNA) where: Base-Base interactions energy: -1049.962 where: short stacking energy: -474.095 Base-Backbone interact. energy: 1.644 local terms energy: -528.119776 where: bonds (distance) C4'-P energy: -113.918 bonds (distance) P-C4' energy: -105.593 flat angles C4'-P-C4' energy: -108.503 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -139.895 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: 135 Temperature: 1.150000 Total energy: -1520.662451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.662451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.662451 (E_RNA) where: Base-Base interactions energy: -1043.723 where: short stacking energy: -398.703 Base-Backbone interact. energy: -1.385 local terms energy: -475.554364 where: bonds (distance) C4'-P energy: -90.908 bonds (distance) P-C4' energy: -98.749 flat angles C4'-P-C4' energy: -121.207 flat angles P-C4'-P energy: -60.365 tors. eta vs tors. theta energy: -104.326 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: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1243.773274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.773274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.773274 (E_RNA) where: Base-Base interactions energy: -797.159 where: short stacking energy: -356.245 Base-Backbone interact. energy: -1.981 local terms energy: -444.633323 where: bonds (distance) C4'-P energy: -91.576 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -99.397 flat angles P-C4'-P energy: -67.200 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: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -989.741595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.741595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.741595 (E_RNA) where: Base-Base interactions energy: -598.633 where: short stacking energy: -303.158 Base-Backbone interact. energy: -0.875 local terms energy: -390.233945 where: bonds (distance) C4'-P energy: -95.854 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -102.561 flat angles P-C4'-P energy: -53.666 tors. eta vs tors. theta energy: -54.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -587.589909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.589909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.589909 (E_RNA) where: Base-Base interactions energy: -246.857 where: short stacking energy: -183.778 Base-Backbone interact. energy: -1.698 local terms energy: -339.035121 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -101.523 flat angles C4'-P-C4' energy: -90.818 flat angles P-C4'-P energy: -53.870 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -535.646460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.646460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.646460 (E_RNA) where: Base-Base interactions energy: -242.778 where: short stacking energy: -164.164 Base-Backbone interact. energy: -1.400 local terms energy: -291.468345 where: bonds (distance) C4'-P energy: -80.995 bonds (distance) P-C4' energy: -105.745 flat angles C4'-P-C4' energy: -77.234 flat angles P-C4'-P energy: -49.754 tors. eta vs tors. theta energy: 22.260 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: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1908.754120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.754120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.754120 (E_RNA) where: Base-Base interactions energy: -1304.326 where: short stacking energy: -558.770 Base-Backbone interact. energy: -2.487 local terms energy: -601.940394 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -123.932 flat angles C4'-P-C4' energy: -122.569 flat angles P-C4'-P energy: -85.850 tors. eta vs tors. theta energy: -162.259 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: 136 Temperature: 0.950000 Total energy: -1901.686013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.686013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.686013 (E_RNA) where: Base-Base interactions energy: -1322.620 where: short stacking energy: -566.096 Base-Backbone interact. energy: -5.051 local terms energy: -574.015192 where: bonds (distance) C4'-P energy: -105.268 bonds (distance) P-C4' energy: -111.632 flat angles C4'-P-C4' energy: -129.150 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -148.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1743.908947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.908947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.908947 (E_RNA) where: Base-Base interactions energy: -1140.630 where: short stacking energy: -536.242 Base-Backbone interact. energy: -1.949 local terms energy: -601.329474 where: bonds (distance) C4'-P energy: -107.728 bonds (distance) P-C4' energy: -127.280 flat angles C4'-P-C4' energy: -118.163 flat angles P-C4'-P energy: -81.482 tors. eta vs tors. theta energy: -166.677 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: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1653.360455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.360455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.360455 (E_RNA) where: Base-Base interactions energy: -1087.966 where: short stacking energy: -510.682 Base-Backbone interact. energy: -1.452 local terms energy: -563.942043 where: bonds (distance) C4'-P energy: -106.674 bonds (distance) P-C4' energy: -103.511 flat angles C4'-P-C4' energy: -121.766 flat angles P-C4'-P energy: -82.849 tors. eta vs tors. theta energy: -149.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1550.527887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.527887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.527887 (E_RNA) where: Base-Base interactions energy: -1013.595 where: short stacking energy: -445.033 Base-Backbone interact. energy: -2.429 local terms energy: -534.503157 where: bonds (distance) C4'-P energy: -112.026 bonds (distance) P-C4' energy: -102.507 flat angles C4'-P-C4' energy: -112.122 flat angles P-C4'-P energy: -76.953 tors. eta vs tors. theta energy: -130.894 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: 136 Temperature: 1.150000 Total energy: -1490.968885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.968885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.968885 (E_RNA) where: Base-Base interactions energy: -993.823 where: short stacking energy: -403.199 Base-Backbone interact. energy: -2.843 local terms energy: -494.302627 where: bonds (distance) C4'-P energy: -104.455 bonds (distance) P-C4' energy: -107.332 flat angles C4'-P-C4' energy: -111.434 flat angles P-C4'-P energy: -63.409 tors. eta vs tors. theta energy: -107.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1240.218772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.218772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.218772 (E_RNA) where: Base-Base interactions energy: -801.482 where: short stacking energy: -367.954 Base-Backbone interact. energy: 0.782 local terms energy: -439.517965 where: bonds (distance) C4'-P energy: -91.094 bonds (distance) P-C4' energy: -85.090 flat angles C4'-P-C4' energy: -100.094 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -97.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1014.925144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.925144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.925144 (E_RNA) where: Base-Base interactions energy: -604.315 where: short stacking energy: -280.735 Base-Backbone interact. energy: 2.035 local terms energy: -412.645399 where: bonds (distance) C4'-P energy: -95.379 bonds (distance) P-C4' energy: -108.287 flat angles C4'-P-C4' energy: -102.789 flat angles P-C4'-P energy: -47.437 tors. eta vs tors. theta energy: -58.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -603.154751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.154751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.154751 (E_RNA) where: Base-Base interactions energy: -255.592 where: short stacking energy: -180.983 Base-Backbone interact. energy: -0.479 local terms energy: -347.083553 where: bonds (distance) C4'-P energy: -86.551 bonds (distance) P-C4' energy: -100.535 flat angles C4'-P-C4' energy: -104.350 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: 3.043 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: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -517.505426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.505426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.505426 (E_RNA) where: Base-Base interactions energy: -197.769 where: short stacking energy: -139.211 Base-Backbone interact. energy: 0.284 local terms energy: -320.020509 where: bonds (distance) C4'-P energy: -100.516 bonds (distance) P-C4' energy: -97.432 flat angles C4'-P-C4' energy: -72.679 flat angles P-C4'-P energy: -44.300 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1910.923722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.923722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.923722 (E_RNA) where: Base-Base interactions energy: -1294.197 where: short stacking energy: -569.702 Base-Backbone interact. energy: -2.298 local terms energy: -614.429263 where: bonds (distance) C4'-P energy: -113.853 bonds (distance) P-C4' energy: -120.455 flat angles C4'-P-C4' energy: -123.413 flat angles P-C4'-P energy: -94.481 tors. eta vs tors. theta energy: -162.227 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: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1845.726164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.726164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.726164 (E_RNA) where: Base-Base interactions energy: -1254.260 where: short stacking energy: -513.279 Base-Backbone interact. energy: -6.486 local terms energy: -584.980095 where: bonds (distance) C4'-P energy: -115.396 bonds (distance) P-C4' energy: -116.220 flat angles C4'-P-C4' energy: -118.236 flat angles P-C4'-P energy: -88.604 tors. eta vs tors. theta energy: -146.524 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: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1768.770251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.770251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.770251 (E_RNA) where: Base-Base interactions energy: -1169.264 where: short stacking energy: -533.834 Base-Backbone interact. energy: 1.371 local terms energy: -600.877414 where: bonds (distance) C4'-P energy: -120.777 bonds (distance) P-C4' energy: -112.754 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -80.925 tors. eta vs tors. theta energy: -157.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1708.203005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.203005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.203005 (E_RNA) where: Base-Base interactions energy: -1157.516 where: short stacking energy: -506.717 Base-Backbone interact. energy: -3.790 local terms energy: -546.896688 where: bonds (distance) C4'-P energy: -106.426 bonds (distance) P-C4' energy: -102.263 flat angles C4'-P-C4' energy: -115.213 flat angles P-C4'-P energy: -81.253 tors. eta vs tors. theta energy: -141.742 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: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1533.416330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.416330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.416330 (E_RNA) where: Base-Base interactions energy: -1021.234 where: short stacking energy: -444.992 Base-Backbone interact. energy: -1.910 local terms energy: -510.272656 where: bonds (distance) C4'-P energy: -101.780 bonds (distance) P-C4' energy: -117.532 flat angles C4'-P-C4' energy: -100.367 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -112.325 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: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1483.133355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.133355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.133355 (E_RNA) where: Base-Base interactions energy: -967.071 where: short stacking energy: -438.303 Base-Backbone interact. energy: -5.319 local terms energy: -510.743325 where: bonds (distance) C4'-P energy: -104.861 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -113.945 flat angles P-C4'-P energy: -77.460 tors. eta vs tors. theta energy: -107.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1299.947977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.947977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.947977 (E_RNA) where: Base-Base interactions energy: -851.342 where: short stacking energy: -373.403 Base-Backbone interact. energy: -3.873 local terms energy: -444.732514 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -100.293 flat angles C4'-P-C4' energy: -102.380 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -95.157 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: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -987.150620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.150620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.150620 (E_RNA) where: Base-Base interactions energy: -560.482 where: short stacking energy: -278.813 Base-Backbone interact. energy: -1.108 local terms energy: -425.560809 where: bonds (distance) C4'-P energy: -94.224 bonds (distance) P-C4' energy: -90.208 flat angles C4'-P-C4' energy: -115.764 flat angles P-C4'-P energy: -66.181 tors. eta vs tors. theta energy: -59.184 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: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -641.900274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.900274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.900274 (E_RNA) where: Base-Base interactions energy: -323.910 where: short stacking energy: -181.379 Base-Backbone interact. energy: -1.103 local terms energy: -316.887375 where: bonds (distance) C4'-P energy: -91.303 bonds (distance) P-C4' energy: -88.805 flat angles C4'-P-C4' energy: -79.943 flat angles P-C4'-P energy: -51.427 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -524.224931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.224931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.224931 (E_RNA) where: Base-Base interactions energy: -239.395 where: short stacking energy: -165.763 Base-Backbone interact. energy: 2.612 local terms energy: -287.442001 where: bonds (distance) C4'-P energy: -82.170 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -87.221 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1936.617790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.617790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.617790 (E_RNA) where: Base-Base interactions energy: -1318.215 where: short stacking energy: -542.219 Base-Backbone interact. energy: -4.401 local terms energy: -614.001862 where: bonds (distance) C4'-P energy: -119.453 bonds (distance) P-C4' energy: -124.864 flat angles C4'-P-C4' energy: -137.103 flat angles P-C4'-P energy: -84.185 tors. eta vs tors. theta energy: -148.396 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: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1877.151009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.151009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.151009 (E_RNA) where: Base-Base interactions energy: -1298.276 where: short stacking energy: -538.074 Base-Backbone interact. energy: -1.840 local terms energy: -577.035250 where: bonds (distance) C4'-P energy: -100.752 bonds (distance) P-C4' energy: -113.775 flat angles C4'-P-C4' energy: -124.872 flat angles P-C4'-P energy: -78.272 tors. eta vs tors. theta energy: -159.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1763.984435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.984435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.984435 (E_RNA) where: Base-Base interactions energy: -1179.342 where: short stacking energy: -545.905 Base-Backbone interact. energy: -3.007 local terms energy: -581.635599 where: bonds (distance) C4'-P energy: -102.613 bonds (distance) P-C4' energy: -98.435 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -80.872 tors. eta vs tors. theta energy: -175.256 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: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1689.511463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.511463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.511463 (E_RNA) where: Base-Base interactions energy: -1129.003 where: short stacking energy: -495.956 Base-Backbone interact. energy: -1.369 local terms energy: -559.139025 where: bonds (distance) C4'-P energy: -109.609 bonds (distance) P-C4' energy: -110.127 flat angles C4'-P-C4' energy: -122.708 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -140.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1498.032693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.032693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.032693 (E_RNA) where: Base-Base interactions energy: -980.381 where: short stacking energy: -437.517 Base-Backbone interact. energy: 0.673 local terms energy: -518.324612 where: bonds (distance) C4'-P energy: -106.015 bonds (distance) P-C4' energy: -101.135 flat angles C4'-P-C4' energy: -107.294 flat angles P-C4'-P energy: -86.536 tors. eta vs tors. theta energy: -117.344 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: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1509.915009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.915009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.915009 (E_RNA) where: Base-Base interactions energy: -1049.823 where: short stacking energy: -443.571 Base-Backbone interact. energy: -3.125 local terms energy: -456.967130 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -83.726 flat angles C4'-P-C4' energy: -98.262 flat angles P-C4'-P energy: -75.689 tors. eta vs tors. theta energy: -110.765 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: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1272.597005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.597005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.597005 (E_RNA) where: Base-Base interactions energy: -788.020 where: short stacking energy: -342.059 Base-Backbone interact. energy: -4.193 local terms energy: -480.383987 where: bonds (distance) C4'-P energy: -106.815 bonds (distance) P-C4' energy: -100.345 flat angles C4'-P-C4' energy: -115.210 flat angles P-C4'-P energy: -73.595 tors. eta vs tors. theta energy: -84.419 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: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -953.946742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.946742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.946742 (E_RNA) where: Base-Base interactions energy: -552.447 where: short stacking energy: -275.583 Base-Backbone interact. energy: -2.887 local terms energy: -398.612532 where: bonds (distance) C4'-P energy: -106.017 bonds (distance) P-C4' energy: -89.144 flat angles C4'-P-C4' energy: -98.642 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -54.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -726.120484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.120484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.120484 (E_RNA) where: Base-Base interactions energy: -369.951 where: short stacking energy: -221.899 Base-Backbone interact. energy: -3.585 local terms energy: -352.584350 where: bonds (distance) C4'-P energy: -98.238 bonds (distance) P-C4' energy: -97.735 flat angles C4'-P-C4' energy: -83.128 flat angles P-C4'-P energy: -55.249 tors. eta vs tors. theta energy: -18.233 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: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -461.784351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.784351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.784351 (E_RNA) where: Base-Base interactions energy: -174.361 where: short stacking energy: -132.450 Base-Backbone interact. energy: 1.987 local terms energy: -289.409849 where: bonds (distance) C4'-P energy: -95.500 bonds (distance) P-C4' energy: -94.921 flat angles C4'-P-C4' energy: -65.845 flat angles P-C4'-P energy: -43.688 tors. eta vs tors. theta energy: 10.544 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: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1918.708905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.708905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.708905 (E_RNA) where: Base-Base interactions energy: -1346.905 where: short stacking energy: -544.277 Base-Backbone interact. energy: -3.274 local terms energy: -568.529424 where: bonds (distance) C4'-P energy: -99.826 bonds (distance) P-C4' energy: -112.375 flat angles C4'-P-C4' energy: -134.977 flat angles P-C4'-P energy: -83.048 tors. eta vs tors. theta energy: -138.303 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: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1865.801633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.801633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.801633 (E_RNA) where: Base-Base interactions energy: -1297.123 where: short stacking energy: -554.279 Base-Backbone interact. energy: -1.997 local terms energy: -566.681955 where: bonds (distance) C4'-P energy: -91.587 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -127.596 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -165.374 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: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1737.401497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.401497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.401497 (E_RNA) where: Base-Base interactions energy: -1136.911 where: short stacking energy: -528.825 Base-Backbone interact. energy: -1.656 local terms energy: -598.834156 where: bonds (distance) C4'-P energy: -117.159 bonds (distance) P-C4' energy: -122.883 flat angles C4'-P-C4' energy: -132.619 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -153.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1696.454259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.454259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.454259 (E_RNA) where: Base-Base interactions energy: -1134.495 where: short stacking energy: -531.560 Base-Backbone interact. energy: -3.662 local terms energy: -558.297849 where: bonds (distance) C4'-P energy: -109.803 bonds (distance) P-C4' energy: -115.978 flat angles C4'-P-C4' energy: -119.714 flat angles P-C4'-P energy: -61.102 tors. eta vs tors. theta energy: -151.702 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: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1540.101108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.101108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.101108 (E_RNA) where: Base-Base interactions energy: -1047.945 where: short stacking energy: -460.456 Base-Backbone interact. energy: -2.782 local terms energy: -489.373996 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -102.051 flat angles C4'-P-C4' energy: -107.398 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -123.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1439.448383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.448383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.448383 (E_RNA) where: Base-Base interactions energy: -961.185 where: short stacking energy: -417.655 Base-Backbone interact. energy: 0.447 local terms energy: -478.710736 where: bonds (distance) C4'-P energy: -105.089 bonds (distance) P-C4' energy: -103.864 flat angles C4'-P-C4' energy: -112.730 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -97.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1177.543724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.543724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.543724 (E_RNA) where: Base-Base interactions energy: -751.079 where: short stacking energy: -340.071 Base-Backbone interact. energy: -1.214 local terms energy: -425.250450 where: bonds (distance) C4'-P energy: -94.044 bonds (distance) P-C4' energy: -101.346 flat angles C4'-P-C4' energy: -84.578 flat angles P-C4'-P energy: -61.132 tors. eta vs tors. theta energy: -84.151 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: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -909.189293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.189293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.189293 (E_RNA) where: Base-Base interactions energy: -506.891 where: short stacking energy: -221.347 Base-Backbone interact. energy: 2.681 local terms energy: -404.979599 where: bonds (distance) C4'-P energy: -106.819 bonds (distance) P-C4' energy: -106.620 flat angles C4'-P-C4' energy: -96.012 flat angles P-C4'-P energy: -73.984 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -767.516478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.516478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.516478 (E_RNA) where: Base-Base interactions energy: -450.704 where: short stacking energy: -234.436 Base-Backbone interact. energy: -1.057 local terms energy: -315.755119 where: bonds (distance) C4'-P energy: -94.513 bonds (distance) P-C4' energy: -96.068 flat angles C4'-P-C4' energy: -78.291 flat angles P-C4'-P energy: -44.695 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -487.324172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.324172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.324172 (E_RNA) where: Base-Base interactions energy: -204.791 where: short stacking energy: -144.622 Base-Backbone interact. energy: 0.857 local terms energy: -283.389398 where: bonds (distance) C4'-P energy: -78.781 bonds (distance) P-C4' energy: -104.389 flat angles C4'-P-C4' energy: -85.979 flat angles P-C4'-P energy: -31.659 tors. eta vs tors. theta energy: 17.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1936.335067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.335067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.335067 (E_RNA) where: Base-Base interactions energy: -1346.854 where: short stacking energy: -589.167 Base-Backbone interact. energy: 3.527 local terms energy: -593.008150 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -115.319 flat angles C4'-P-C4' energy: -126.349 flat angles P-C4'-P energy: -84.191 tors. eta vs tors. theta energy: -159.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1865.581404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.581404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.581404 (E_RNA) where: Base-Base interactions energy: -1282.616 where: short stacking energy: -531.423 Base-Backbone interact. energy: -3.444 local terms energy: -579.521709 where: bonds (distance) C4'-P energy: -121.785 bonds (distance) P-C4' energy: -113.326 flat angles C4'-P-C4' energy: -130.525 flat angles P-C4'-P energy: -68.069 tors. eta vs tors. theta energy: -145.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1790.159379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.159379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.159379 (E_RNA) where: Base-Base interactions energy: -1189.668 where: short stacking energy: -555.859 Base-Backbone interact. energy: -2.225 local terms energy: -598.266036 where: bonds (distance) C4'-P energy: -113.315 bonds (distance) P-C4' energy: -111.479 flat angles C4'-P-C4' energy: -130.156 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -155.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1742.963566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.963566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.963566 (E_RNA) where: Base-Base interactions energy: -1165.344 where: short stacking energy: -532.094 Base-Backbone interact. energy: -4.494 local terms energy: -573.125788 where: bonds (distance) C4'-P energy: -106.878 bonds (distance) P-C4' energy: -108.650 flat angles C4'-P-C4' energy: -125.674 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -150.486 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: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1541.725623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.725623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.725623 (E_RNA) where: Base-Base interactions energy: -1050.865 where: short stacking energy: -460.580 Base-Backbone interact. energy: 1.435 local terms energy: -492.294825 where: bonds (distance) C4'-P energy: -85.450 bonds (distance) P-C4' energy: -90.325 flat angles C4'-P-C4' energy: -129.123 flat angles P-C4'-P energy: -72.865 tors. eta vs tors. theta energy: -114.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1428.092675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.092675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.092675 (E_RNA) where: Base-Base interactions energy: -967.598 where: short stacking energy: -389.346 Base-Backbone interact. energy: -4.133 local terms energy: -456.361840 where: bonds (distance) C4'-P energy: -101.911 bonds (distance) P-C4' energy: -107.630 flat angles C4'-P-C4' energy: -106.594 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: -84.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1159.260542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.260542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.260542 (E_RNA) where: Base-Base interactions energy: -718.761 where: short stacking energy: -353.909 Base-Backbone interact. energy: -3.366 local terms energy: -437.133607 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -110.093 flat angles P-C4'-P energy: -65.240 tors. eta vs tors. theta energy: -69.956 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: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -965.357326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.357326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.357326 (E_RNA) where: Base-Base interactions energy: -603.982 where: short stacking energy: -260.765 Base-Backbone interact. energy: 1.116 local terms energy: -362.490864 where: bonds (distance) C4'-P energy: -90.942 bonds (distance) P-C4' energy: -90.176 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -42.210 tors. eta vs tors. theta energy: -42.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -785.342874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.342874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.342874 (E_RNA) where: Base-Base interactions energy: -422.904 where: short stacking energy: -237.465 Base-Backbone interact. energy: -1.476 local terms energy: -360.962073 where: bonds (distance) C4'-P energy: -75.804 bonds (distance) P-C4' energy: -86.605 flat angles C4'-P-C4' energy: -96.924 flat angles P-C4'-P energy: -65.831 tors. eta vs tors. theta energy: -35.798 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: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -477.596473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.596473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.596473 (E_RNA) where: Base-Base interactions energy: -151.811 where: short stacking energy: -129.428 Base-Backbone interact. energy: -0.381 local terms energy: -325.403941 where: bonds (distance) C4'-P energy: -81.029 bonds (distance) P-C4' energy: -111.387 flat angles C4'-P-C4' energy: -78.564 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: 8.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1907.200368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.200368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.200368 (E_RNA) where: Base-Base interactions energy: -1274.806 where: short stacking energy: -539.312 Base-Backbone interact. energy: -1.881 local terms energy: -630.513771 where: bonds (distance) C4'-P energy: -120.987 bonds (distance) P-C4' energy: -120.068 flat angles C4'-P-C4' energy: -127.693 flat angles P-C4'-P energy: -89.877 tors. eta vs tors. theta energy: -171.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1849.521302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.521302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.521302 (E_RNA) where: Base-Base interactions energy: -1295.707 where: short stacking energy: -531.241 Base-Backbone interact. energy: -3.043 local terms energy: -550.771798 where: bonds (distance) C4'-P energy: -97.552 bonds (distance) P-C4' energy: -123.930 flat angles C4'-P-C4' energy: -125.035 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -138.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1729.728985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.728985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.728985 (E_RNA) where: Base-Base interactions energy: -1173.694 where: short stacking energy: -522.681 Base-Backbone interact. energy: -1.916 local terms energy: -554.118919 where: bonds (distance) C4'-P energy: -99.654 bonds (distance) P-C4' energy: -108.562 flat angles C4'-P-C4' energy: -121.495 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -149.402 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: 141 Temperature: 1.050000 Total energy: -1717.546794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.546794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.546794 (E_RNA) where: Base-Base interactions energy: -1137.039 where: short stacking energy: -520.907 Base-Backbone interact. energy: -3.581 local terms energy: -576.926936 where: bonds (distance) C4'-P energy: -115.608 bonds (distance) P-C4' energy: -109.316 flat angles C4'-P-C4' energy: -121.501 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -158.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1515.268844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.268844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.268844 (E_RNA) where: Base-Base interactions energy: -1013.596 where: short stacking energy: -433.727 Base-Backbone interact. energy: -0.036 local terms energy: -501.636777 where: bonds (distance) C4'-P energy: -96.987 bonds (distance) P-C4' energy: -108.566 flat angles C4'-P-C4' energy: -111.934 flat angles P-C4'-P energy: -73.375 tors. eta vs tors. theta energy: -110.774 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: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1500.235454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.235454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.235454 (E_RNA) where: Base-Base interactions energy: -1010.133 where: short stacking energy: -425.805 Base-Backbone interact. energy: -0.036 local terms energy: -490.066802 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -111.762 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -103.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1158.178720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.178720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.178720 (E_RNA) where: Base-Base interactions energy: -742.153 where: short stacking energy: -336.023 Base-Backbone interact. energy: -1.050 local terms energy: -414.975462 where: bonds (distance) C4'-P energy: -95.818 bonds (distance) P-C4' energy: -97.018 flat angles C4'-P-C4' energy: -86.867 flat angles P-C4'-P energy: -61.425 tors. eta vs tors. theta energy: -73.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -986.877610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.877610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.877610 (E_RNA) where: Base-Base interactions energy: -581.652 where: short stacking energy: -272.675 Base-Backbone interact. energy: 3.187 local terms energy: -408.413366 where: bonds (distance) C4'-P energy: -99.236 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -107.794 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: -29.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -731.894584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.894584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.894584 (E_RNA) where: Base-Base interactions energy: -408.859 where: short stacking energy: -218.091 Base-Backbone interact. energy: -0.396 local terms energy: -322.639558 where: bonds (distance) C4'-P energy: -76.936 bonds (distance) P-C4' energy: -94.505 flat angles C4'-P-C4' energy: -89.960 flat angles P-C4'-P energy: -35.342 tors. eta vs tors. theta energy: -25.897 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: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -460.015174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.015174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.015174 (E_RNA) where: Base-Base interactions energy: -179.741 where: short stacking energy: -112.298 Base-Backbone interact. energy: -2.743 local terms energy: -277.531603 where: bonds (distance) C4'-P energy: -92.734 bonds (distance) P-C4' energy: -103.320 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -29.673 tors. eta vs tors. theta energy: 26.203 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: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1913.787431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.787431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.787431 (E_RNA) where: Base-Base interactions energy: -1303.470 where: short stacking energy: -572.424 Base-Backbone interact. energy: -0.101 local terms energy: -610.216532 where: bonds (distance) C4'-P energy: -115.719 bonds (distance) P-C4' energy: -119.117 flat angles C4'-P-C4' energy: -134.563 flat angles P-C4'-P energy: -79.933 tors. eta vs tors. theta energy: -160.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1852.593757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.593757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.593757 (E_RNA) where: Base-Base interactions energy: -1270.882 where: short stacking energy: -532.997 Base-Backbone interact. energy: -3.625 local terms energy: -578.086657 where: bonds (distance) C4'-P energy: -108.106 bonds (distance) P-C4' energy: -116.508 flat angles C4'-P-C4' energy: -136.114 flat angles P-C4'-P energy: -67.168 tors. eta vs tors. theta energy: -150.190 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: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1779.283304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.283304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.283304 (E_RNA) where: Base-Base interactions energy: -1183.103 where: short stacking energy: -550.238 Base-Backbone interact. energy: -0.827 local terms energy: -595.353982 where: bonds (distance) C4'-P energy: -105.118 bonds (distance) P-C4' energy: -121.938 flat angles C4'-P-C4' energy: -134.641 flat angles P-C4'-P energy: -67.113 tors. eta vs tors. theta energy: -166.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1719.426245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.426245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.426245 (E_RNA) where: Base-Base interactions energy: -1158.121 where: short stacking energy: -522.993 Base-Backbone interact. energy: 0.175 local terms energy: -561.480251 where: bonds (distance) C4'-P energy: -122.483 bonds (distance) P-C4' energy: -105.878 flat angles C4'-P-C4' energy: -116.028 flat angles P-C4'-P energy: -67.966 tors. eta vs tors. theta energy: -149.126 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: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1514.410351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.410351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.410351 (E_RNA) where: Base-Base interactions energy: -1006.590 where: short stacking energy: -435.249 Base-Backbone interact. energy: -0.715 local terms energy: -507.106034 where: bonds (distance) C4'-P energy: -105.453 bonds (distance) P-C4' energy: -107.327 flat angles C4'-P-C4' energy: -114.557 flat angles P-C4'-P energy: -69.682 tors. eta vs tors. theta energy: -110.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1477.682312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.682312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.682312 (E_RNA) where: Base-Base interactions energy: -1024.405 where: short stacking energy: -454.684 Base-Backbone interact. energy: -0.331 local terms energy: -452.946736 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -95.671 flat angles C4'-P-C4' energy: -96.414 flat angles P-C4'-P energy: -57.452 tors. eta vs tors. theta energy: -107.489 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: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1188.035263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.035263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.035263 (E_RNA) where: Base-Base interactions energy: -752.911 where: short stacking energy: -348.853 Base-Backbone interact. energy: -3.739 local terms energy: -431.384821 where: bonds (distance) C4'-P energy: -76.462 bonds (distance) P-C4' energy: -104.939 flat angles C4'-P-C4' energy: -107.491 flat angles P-C4'-P energy: -71.046 tors. eta vs tors. theta energy: -71.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -993.551115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.551115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.551115 (E_RNA) where: Base-Base interactions energy: -597.043 where: short stacking energy: -295.382 Base-Backbone interact. energy: 2.454 local terms energy: -398.962520 where: bonds (distance) C4'-P energy: -101.843 bonds (distance) P-C4' energy: -89.754 flat angles C4'-P-C4' energy: -93.615 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: -42.013 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: 142 Temperature: 1.300000 Total energy: -748.514890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.514890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.514890 (E_RNA) where: Base-Base interactions energy: -404.084 where: short stacking energy: -217.893 Base-Backbone interact. energy: -3.119 local terms energy: -341.311435 where: bonds (distance) C4'-P energy: -93.925 bonds (distance) P-C4' energy: -98.110 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -19.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -468.897943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.897943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.897943 (E_RNA) where: Base-Base interactions energy: -152.089 where: short stacking energy: -120.781 Base-Backbone interact. energy: 3.562 local terms energy: -320.370426 where: bonds (distance) C4'-P energy: -79.249 bonds (distance) P-C4' energy: -110.248 flat angles C4'-P-C4' energy: -99.258 flat angles P-C4'-P energy: -55.630 tors. eta vs tors. theta energy: 24.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1897.932642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.932642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.932642 (E_RNA) where: Base-Base interactions energy: -1282.290 where: short stacking energy: -578.008 Base-Backbone interact. energy: -1.434 local terms energy: -614.209157 where: bonds (distance) C4'-P energy: -119.272 bonds (distance) P-C4' energy: -110.752 flat angles C4'-P-C4' energy: -133.531 flat angles P-C4'-P energy: -88.146 tors. eta vs tors. theta energy: -162.508 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: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1881.211460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.211460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.211460 (E_RNA) where: Base-Base interactions energy: -1310.516 where: short stacking energy: -537.984 Base-Backbone interact. energy: -2.913 local terms energy: -567.782154 where: bonds (distance) C4'-P energy: -107.674 bonds (distance) P-C4' energy: -108.846 flat angles C4'-P-C4' energy: -125.258 flat angles P-C4'-P energy: -76.943 tors. eta vs tors. theta energy: -149.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1755.070929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.070929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.070929 (E_RNA) where: Base-Base interactions energy: -1176.287 where: short stacking energy: -523.782 Base-Backbone interact. energy: 1.354 local terms energy: -580.138331 where: bonds (distance) C4'-P energy: -109.205 bonds (distance) P-C4' energy: -106.235 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -85.638 tors. eta vs tors. theta energy: -161.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1709.697395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.697395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.697395 (E_RNA) where: Base-Base interactions energy: -1173.824 where: short stacking energy: -554.943 Base-Backbone interact. energy: 4.206 local terms energy: -540.080081 where: bonds (distance) C4'-P energy: -97.491 bonds (distance) P-C4' energy: -106.389 flat angles C4'-P-C4' energy: -112.663 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -149.384 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: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1507.586831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.586831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.586831 (E_RNA) where: Base-Base interactions energy: -1011.776 where: short stacking energy: -470.323 Base-Backbone interact. energy: -0.881 local terms energy: -494.929674 where: bonds (distance) C4'-P energy: -95.400 bonds (distance) P-C4' energy: -96.660 flat angles C4'-P-C4' energy: -97.471 flat angles P-C4'-P energy: -75.936 tors. eta vs tors. theta energy: -129.462 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1537.765035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.765035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.765035 (E_RNA) where: Base-Base interactions energy: -1033.883 where: short stacking energy: -460.992 Base-Backbone interact. energy: -4.893 local terms energy: -498.989496 where: bonds (distance) C4'-P energy: -111.706 bonds (distance) P-C4' energy: -75.591 flat angles C4'-P-C4' energy: -117.004 flat angles P-C4'-P energy: -65.641 tors. eta vs tors. theta energy: -129.047 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: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1217.108886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.108886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.108886 (E_RNA) where: Base-Base interactions energy: -789.785 where: short stacking energy: -364.425 Base-Backbone interact. energy: -2.565 local terms energy: -424.758791 where: bonds (distance) C4'-P energy: -81.690 bonds (distance) P-C4' energy: -108.887 flat angles C4'-P-C4' energy: -92.326 flat angles P-C4'-P energy: -64.197 tors. eta vs tors. theta energy: -77.657 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: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -961.937356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.937356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.937356 (E_RNA) where: Base-Base interactions energy: -591.714 where: short stacking energy: -298.960 Base-Backbone interact. energy: -0.913 local terms energy: -369.310263 where: bonds (distance) C4'-P energy: -95.482 bonds (distance) P-C4' energy: -87.277 flat angles C4'-P-C4' energy: -84.239 flat angles P-C4'-P energy: -58.578 tors. eta vs tors. theta energy: -43.734 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: 143 Temperature: 1.300000 Total energy: -745.691764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.691764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.691764 (E_RNA) where: Base-Base interactions energy: -393.385 where: short stacking energy: -221.162 Base-Backbone interact. energy: -3.368 local terms energy: -348.938280 where: bonds (distance) C4'-P energy: -84.276 bonds (distance) P-C4' energy: -93.895 flat angles C4'-P-C4' energy: -104.422 flat angles P-C4'-P energy: -44.197 tors. eta vs tors. theta energy: -22.148 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: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -462.427891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.427891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.427891 (E_RNA) where: Base-Base interactions energy: -183.420 where: short stacking energy: -145.069 Base-Backbone interact. energy: 3.476 local terms energy: -282.484013 where: bonds (distance) C4'-P energy: -89.141 bonds (distance) P-C4' energy: -99.962 flat angles C4'-P-C4' energy: -60.483 flat angles P-C4'-P energy: -49.082 tors. eta vs tors. theta energy: 16.184 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: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1889.366763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.366763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.366763 (E_RNA) where: Base-Base interactions energy: -1281.293 where: short stacking energy: -569.118 Base-Backbone interact. energy: -2.216 local terms energy: -605.858231 where: bonds (distance) C4'-P energy: -114.075 bonds (distance) P-C4' energy: -101.415 flat angles C4'-P-C4' energy: -133.809 flat angles P-C4'-P energy: -94.585 tors. eta vs tors. theta energy: -161.974 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1843.762304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.762304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.762304 (E_RNA) where: Base-Base interactions energy: -1296.349 where: short stacking energy: -535.073 Base-Backbone interact. energy: -1.847 local terms energy: -545.565631 where: bonds (distance) C4'-P energy: -98.736 bonds (distance) P-C4' energy: -103.007 flat angles C4'-P-C4' energy: -125.438 flat angles P-C4'-P energy: -77.217 tors. eta vs tors. theta energy: -141.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1731.260637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.260637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.260637 (E_RNA) where: Base-Base interactions energy: -1155.699 where: short stacking energy: -532.988 Base-Backbone interact. energy: -2.052 local terms energy: -573.509281 where: bonds (distance) C4'-P energy: -103.510 bonds (distance) P-C4' energy: -126.001 flat angles C4'-P-C4' energy: -116.164 flat angles P-C4'-P energy: -74.623 tors. eta vs tors. theta energy: -153.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1668.478711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.478711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.478711 (E_RNA) where: Base-Base interactions energy: -1109.256 where: short stacking energy: -488.801 Base-Backbone interact. energy: 1.209 local terms energy: -560.431078 where: bonds (distance) C4'-P energy: -111.651 bonds (distance) P-C4' energy: -91.411 flat angles C4'-P-C4' energy: -131.851 flat angles P-C4'-P energy: -83.671 tors. eta vs tors. theta energy: -141.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1574.977414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.977414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.977414 (E_RNA) where: Base-Base interactions energy: -1065.149 where: short stacking energy: -450.304 Base-Backbone interact. energy: 1.413 local terms energy: -511.240694 where: bonds (distance) C4'-P energy: -93.868 bonds (distance) P-C4' energy: -98.544 flat angles C4'-P-C4' energy: -123.524 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -129.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1529.252022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.252022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.252022 (E_RNA) where: Base-Base interactions energy: -1043.531 where: short stacking energy: -441.095 Base-Backbone interact. energy: -1.748 local terms energy: -483.972253 where: bonds (distance) C4'-P energy: -86.773 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -106.150 flat angles P-C4'-P energy: -79.195 tors. eta vs tors. theta energy: -122.697 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: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1198.579577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.579577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.579577 (E_RNA) where: Base-Base interactions energy: -788.577 where: short stacking energy: -354.050 Base-Backbone interact. energy: 0.245 local terms energy: -410.248188 where: bonds (distance) C4'-P energy: -69.845 bonds (distance) P-C4' energy: -82.851 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -73.647 tors. eta vs tors. theta energy: -85.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -969.687616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.687616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.687616 (E_RNA) where: Base-Base interactions energy: -603.359 where: short stacking energy: -269.827 Base-Backbone interact. energy: 0.331 local terms energy: -366.660143 where: bonds (distance) C4'-P energy: -86.426 bonds (distance) P-C4' energy: -83.845 flat angles C4'-P-C4' energy: -107.065 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -25.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -753.872766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.872766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.872766 (E_RNA) where: Base-Base interactions energy: -425.242 where: short stacking energy: -234.363 Base-Backbone interact. energy: 0.453 local terms energy: -329.083420 where: bonds (distance) C4'-P energy: -84.830 bonds (distance) P-C4' energy: -85.294 flat angles C4'-P-C4' energy: -96.127 flat angles P-C4'-P energy: -33.226 tors. eta vs tors. theta energy: -29.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -481.205595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.205595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.205595 (E_RNA) where: Base-Base interactions energy: -161.834 where: short stacking energy: -123.130 Base-Backbone interact. energy: -2.445 local terms energy: -316.926943 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -115.209 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -47.504 tors. eta vs tors. theta energy: 8.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1914.421427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.421427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.421427 (E_RNA) where: Base-Base interactions energy: -1324.911 where: short stacking energy: -565.806 Base-Backbone interact. energy: -1.963 local terms energy: -587.547281 where: bonds (distance) C4'-P energy: -112.584 bonds (distance) P-C4' energy: -105.101 flat angles C4'-P-C4' energy: -126.020 flat angles P-C4'-P energy: -77.507 tors. eta vs tors. theta energy: -166.336 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: 145 Temperature: 0.950000 Total energy: -1881.576536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.576536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.576536 (E_RNA) where: Base-Base interactions energy: -1309.529 where: short stacking energy: -558.013 Base-Backbone interact. energy: 0.041 local terms energy: -572.088740 where: bonds (distance) C4'-P energy: -100.902 bonds (distance) P-C4' energy: -116.076 flat angles C4'-P-C4' energy: -127.495 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -147.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1761.279640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.279640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.279640 (E_RNA) where: Base-Base interactions energy: -1174.651 where: short stacking energy: -533.031 Base-Backbone interact. energy: -0.592 local terms energy: -586.037029 where: bonds (distance) C4'-P energy: -110.492 bonds (distance) P-C4' energy: -116.604 flat angles C4'-P-C4' energy: -122.098 flat angles P-C4'-P energy: -77.819 tors. eta vs tors. theta energy: -159.025 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: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1686.305492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.305492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.305492 (E_RNA) where: Base-Base interactions energy: -1117.532 where: short stacking energy: -507.148 Base-Backbone interact. energy: -1.152 local terms energy: -567.621359 where: bonds (distance) C4'-P energy: -98.538 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -73.451 tors. eta vs tors. theta energy: -146.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1601.226562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.226562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.226562 (E_RNA) where: Base-Base interactions energy: -1054.051 where: short stacking energy: -451.300 Base-Backbone interact. energy: -2.523 local terms energy: -544.652162 where: bonds (distance) C4'-P energy: -115.165 bonds (distance) P-C4' energy: -113.529 flat angles C4'-P-C4' energy: -116.577 flat angles P-C4'-P energy: -65.899 tors. eta vs tors. theta energy: -133.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1487.462311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.462311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.462311 (E_RNA) where: Base-Base interactions energy: -996.066 where: short stacking energy: -435.413 Base-Backbone interact. energy: -0.759 local terms energy: -490.637508 where: bonds (distance) C4'-P energy: -78.496 bonds (distance) P-C4' energy: -96.788 flat angles C4'-P-C4' energy: -125.106 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -123.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1226.803679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.803679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.803679 (E_RNA) where: Base-Base interactions energy: -763.074 where: short stacking energy: -345.834 Base-Backbone interact. energy: -1.571 local terms energy: -462.158071 where: bonds (distance) C4'-P energy: -102.771 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -108.418 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -83.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1076.916985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.916985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.916985 (E_RNA) where: Base-Base interactions energy: -672.536 where: short stacking energy: -297.890 Base-Backbone interact. energy: -2.554 local terms energy: -401.826689 where: bonds (distance) C4'-P energy: -86.395 bonds (distance) P-C4' energy: -99.068 flat angles C4'-P-C4' energy: -103.873 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -56.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -690.197465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.197465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.197465 (E_RNA) where: Base-Base interactions energy: -361.268 where: short stacking energy: -181.377 Base-Backbone interact. energy: -0.709 local terms energy: -328.220529 where: bonds (distance) C4'-P energy: -88.202 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -78.881 flat angles P-C4'-P energy: -42.771 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -446.169125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.169125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.169125 (E_RNA) where: Base-Base interactions energy: -156.972 where: short stacking energy: -139.788 Base-Backbone interact. energy: -2.786 local terms energy: -286.410784 where: bonds (distance) C4'-P energy: -81.373 bonds (distance) P-C4' energy: -95.317 flat angles C4'-P-C4' energy: -94.887 flat angles P-C4'-P energy: -38.611 tors. eta vs tors. theta energy: 23.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1888.698228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.698228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.698228 (E_RNA) where: Base-Base interactions energy: -1296.003 where: short stacking energy: -546.402 Base-Backbone interact. energy: -0.457 local terms energy: -592.238258 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -110.011 flat angles C4'-P-C4' energy: -127.822 flat angles P-C4'-P energy: -83.384 tors. eta vs tors. theta energy: -160.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1897.146516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.146516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.146516 (E_RNA) where: Base-Base interactions energy: -1308.299 where: short stacking energy: -545.140 Base-Backbone interact. energy: -1.092 local terms energy: -587.755282 where: bonds (distance) C4'-P energy: -115.938 bonds (distance) P-C4' energy: -113.935 flat angles C4'-P-C4' energy: -142.407 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -153.830 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: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1753.923218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.923218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.923218 (E_RNA) where: Base-Base interactions energy: -1175.062 where: short stacking energy: -536.762 Base-Backbone interact. energy: -1.892 local terms energy: -576.969263 where: bonds (distance) C4'-P energy: -109.493 bonds (distance) P-C4' energy: -110.571 flat angles C4'-P-C4' energy: -130.100 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -151.985 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: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1664.941955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.941955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.941955 (E_RNA) where: Base-Base interactions energy: -1123.068 where: short stacking energy: -490.135 Base-Backbone interact. energy: -4.704 local terms energy: -537.170111 where: bonds (distance) C4'-P energy: -103.048 bonds (distance) P-C4' energy: -106.519 flat angles C4'-P-C4' energy: -120.841 flat angles P-C4'-P energy: -73.256 tors. eta vs tors. theta energy: -133.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1631.686022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.686022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.686022 (E_RNA) where: Base-Base interactions energy: -1094.263 where: short stacking energy: -475.991 Base-Backbone interact. energy: -2.372 local terms energy: -535.050705 where: bonds (distance) C4'-P energy: -97.620 bonds (distance) P-C4' energy: -106.947 flat angles C4'-P-C4' energy: -116.279 flat angles P-C4'-P energy: -72.016 tors. eta vs tors. theta energy: -142.188 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: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1472.002082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.002082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.002082 (E_RNA) where: Base-Base interactions energy: -1003.123 where: short stacking energy: -427.961 Base-Backbone interact. energy: 1.759 local terms energy: -470.637946 where: bonds (distance) C4'-P energy: -93.642 bonds (distance) P-C4' energy: -101.237 flat angles C4'-P-C4' energy: -112.267 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: -96.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1194.191903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.191903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.191903 (E_RNA) where: Base-Base interactions energy: -779.522 where: short stacking energy: -352.904 Base-Backbone interact. energy: 5.279 local terms energy: -419.948912 where: bonds (distance) C4'-P energy: -93.587 bonds (distance) P-C4' energy: -94.855 flat angles C4'-P-C4' energy: -109.147 flat angles P-C4'-P energy: -48.803 tors. eta vs tors. theta energy: -73.557 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: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -930.557819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.557819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.557819 (E_RNA) where: Base-Base interactions energy: -562.523 where: short stacking energy: -283.299 Base-Backbone interact. energy: -4.076 local terms energy: -363.958403 where: bonds (distance) C4'-P energy: -88.030 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -91.938 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -43.242 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: 146 Temperature: 1.300000 Total energy: -653.967686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.967686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.967686 (E_RNA) where: Base-Base interactions energy: -310.948 where: short stacking energy: -175.736 Base-Backbone interact. energy: -0.776 local terms energy: -342.243463 where: bonds (distance) C4'-P energy: -88.269 bonds (distance) P-C4' energy: -108.365 flat angles C4'-P-C4' energy: -98.793 flat angles P-C4'-P energy: -48.443 tors. eta vs tors. theta energy: 1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -461.673112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.673112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.673112 (E_RNA) where: Base-Base interactions energy: -175.556 where: short stacking energy: -139.134 Base-Backbone interact. energy: 5.310 local terms energy: -291.427063 where: bonds (distance) C4'-P energy: -98.940 bonds (distance) P-C4' energy: -95.192 flat angles C4'-P-C4' energy: -71.711 flat angles P-C4'-P energy: -44.606 tors. eta vs tors. theta energy: 19.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1914.393864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.393864 (E_RNA) where: Base-Base interactions energy: -1302.007 where: short stacking energy: -556.654 Base-Backbone interact. energy: 0.761 local terms energy: -613.147646 where: bonds (distance) C4'-P energy: -107.145 bonds (distance) P-C4' energy: -110.790 flat angles C4'-P-C4' energy: -131.654 flat angles P-C4'-P energy: -100.047 tors. eta vs tors. theta energy: -163.511 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1846.278808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.278808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.278808 (E_RNA) where: Base-Base interactions energy: -1283.825 where: short stacking energy: -514.751 Base-Backbone interact. energy: -4.179 local terms energy: -558.274333 where: bonds (distance) C4'-P energy: -110.473 bonds (distance) P-C4' energy: -115.137 flat angles C4'-P-C4' energy: -124.539 flat angles P-C4'-P energy: -74.814 tors. eta vs tors. theta energy: -133.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1730.310051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.310051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.310051 (E_RNA) where: Base-Base interactions energy: -1178.014 where: short stacking energy: -538.936 Base-Backbone interact. energy: -2.502 local terms energy: -549.793717 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -120.621 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -78.646 tors. eta vs tors. theta energy: -142.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1694.988883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.988883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.988883 (E_RNA) where: Base-Base interactions energy: -1141.531 where: short stacking energy: -520.700 Base-Backbone interact. energy: 0.227 local terms energy: -553.685401 where: bonds (distance) C4'-P energy: -101.266 bonds (distance) P-C4' energy: -116.883 flat angles C4'-P-C4' energy: -114.397 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -149.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1603.632319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.632319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.632319 (E_RNA) where: Base-Base interactions energy: -1072.773 where: short stacking energy: -444.726 Base-Backbone interact. energy: -1.664 local terms energy: -529.195588 where: bonds (distance) C4'-P energy: -104.547 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -120.957 flat angles P-C4'-P energy: -61.738 tors. eta vs tors. theta energy: -133.505 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: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1424.142996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.142996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.142996 (E_RNA) where: Base-Base interactions energy: -940.114 where: short stacking energy: -408.823 Base-Backbone interact. energy: 0.167 local terms energy: -484.196363 where: bonds (distance) C4'-P energy: -97.863 bonds (distance) P-C4' energy: -100.620 flat angles C4'-P-C4' energy: -113.185 flat angles P-C4'-P energy: -68.158 tors. eta vs tors. theta energy: -104.371 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: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1233.498551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.498551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.498551 (E_RNA) where: Base-Base interactions energy: -786.555 where: short stacking energy: -398.838 Base-Backbone interact. energy: 0.910 local terms energy: -447.853510 where: bonds (distance) C4'-P energy: -85.357 bonds (distance) P-C4' energy: -86.880 flat angles C4'-P-C4' energy: -105.337 flat angles P-C4'-P energy: -83.883 tors. eta vs tors. theta energy: -86.396 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: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -970.075859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.075859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.075859 (E_RNA) where: Base-Base interactions energy: -586.454 where: short stacking energy: -272.373 Base-Backbone interact. energy: -1.368 local terms energy: -382.254368 where: bonds (distance) C4'-P energy: -96.372 bonds (distance) P-C4' energy: -89.262 flat angles C4'-P-C4' energy: -94.817 flat angles P-C4'-P energy: -58.333 tors. eta vs tors. theta energy: -43.470 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: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -662.665902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.665902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.665902 (E_RNA) where: Base-Base interactions energy: -304.931 where: short stacking energy: -184.615 Base-Backbone interact. energy: -4.107 local terms energy: -353.627609 where: bonds (distance) C4'-P energy: -97.224 bonds (distance) P-C4' energy: -106.372 flat angles C4'-P-C4' energy: -85.867 flat angles P-C4'-P energy: -53.765 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: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -438.410441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.410441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.410441 (E_RNA) where: Base-Base interactions energy: -168.816 where: short stacking energy: -134.492 Base-Backbone interact. energy: -2.845 local terms energy: -266.749811 where: bonds (distance) C4'-P energy: -87.914 bonds (distance) P-C4' energy: -82.250 flat angles C4'-P-C4' energy: -68.552 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: 13.293 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: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1918.433108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.433108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.433108 (E_RNA) where: Base-Base interactions energy: -1299.758 where: short stacking energy: -567.209 Base-Backbone interact. energy: -3.554 local terms energy: -615.120919 where: bonds (distance) C4'-P energy: -112.983 bonds (distance) P-C4' energy: -117.338 flat angles C4'-P-C4' energy: -124.392 flat angles P-C4'-P energy: -94.803 tors. eta vs tors. theta energy: -165.605 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: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1844.162301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.162301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.162301 (E_RNA) where: Base-Base interactions energy: -1282.497 where: short stacking energy: -512.320 Base-Backbone interact. energy: -1.033 local terms energy: -560.632197 where: bonds (distance) C4'-P energy: -110.668 bonds (distance) P-C4' energy: -114.563 flat angles C4'-P-C4' energy: -117.505 flat angles P-C4'-P energy: -73.831 tors. eta vs tors. theta energy: -144.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1753.929967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.929967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.929967 (E_RNA) where: Base-Base interactions energy: -1163.020 where: short stacking energy: -528.699 Base-Backbone interact. energy: -0.474 local terms energy: -590.435745 where: bonds (distance) C4'-P energy: -103.678 bonds (distance) P-C4' energy: -116.344 flat angles C4'-P-C4' energy: -126.242 flat angles P-C4'-P energy: -88.727 tors. eta vs tors. theta energy: -155.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1664.496964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.496964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.496964 (E_RNA) where: Base-Base interactions energy: -1133.459 where: short stacking energy: -514.539 Base-Backbone interact. energy: -4.026 local terms energy: -527.011829 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -111.812 flat angles P-C4'-P energy: -84.350 tors. eta vs tors. theta energy: -146.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1629.044052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.044052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.044052 (E_RNA) where: Base-Base interactions energy: -1087.480 where: short stacking energy: -494.084 Base-Backbone interact. energy: -0.798 local terms energy: -540.766487 where: bonds (distance) C4'-P energy: -103.324 bonds (distance) P-C4' energy: -103.937 flat angles C4'-P-C4' energy: -116.840 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -140.325 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: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1423.711338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.711338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.711338 (E_RNA) where: Base-Base interactions energy: -963.859 where: short stacking energy: -436.453 Base-Backbone interact. energy: -0.648 local terms energy: -459.203872 where: bonds (distance) C4'-P energy: -86.808 bonds (distance) P-C4' energy: -95.217 flat angles C4'-P-C4' energy: -107.648 flat angles P-C4'-P energy: -58.273 tors. eta vs tors. theta energy: -111.257 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: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1195.340554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.340554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.340554 (E_RNA) where: Base-Base interactions energy: -761.578 where: short stacking energy: -329.607 Base-Backbone interact. energy: -1.202 local terms energy: -432.559775 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -111.572 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -70.023 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: 148 Temperature: 1.250000 Total energy: -943.854856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.854856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.854856 (E_RNA) where: Base-Base interactions energy: -574.627 where: short stacking energy: -255.882 Base-Backbone interact. energy: -0.141 local terms energy: -369.086646 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -93.022 flat angles C4'-P-C4' energy: -102.232 flat angles P-C4'-P energy: -50.839 tors. eta vs tors. theta energy: -35.920 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: 148 Temperature: 1.300000 Total energy: -633.386123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.386123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.386123 (E_RNA) where: Base-Base interactions energy: -296.049 where: short stacking energy: -176.054 Base-Backbone interact. energy: -0.266 local terms energy: -337.070984 where: bonds (distance) C4'-P energy: -89.204 bonds (distance) P-C4' energy: -102.981 flat angles C4'-P-C4' energy: -82.159 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -16.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -480.661523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.661523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.661523 (E_RNA) where: Base-Base interactions energy: -159.899 where: short stacking energy: -128.565 Base-Backbone interact. energy: 1.433 local terms energy: -322.196364 where: bonds (distance) C4'-P energy: -89.175 bonds (distance) P-C4' energy: -93.731 flat angles C4'-P-C4' energy: -92.211 flat angles P-C4'-P energy: -67.452 tors. eta vs tors. theta energy: 20.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1921.648782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.648782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.648782 (E_RNA) where: Base-Base interactions energy: -1323.767 where: short stacking energy: -532.776 Base-Backbone interact. energy: -4.505 local terms energy: -593.376546 where: bonds (distance) C4'-P energy: -110.316 bonds (distance) P-C4' energy: -117.047 flat angles C4'-P-C4' energy: -131.640 flat angles P-C4'-P energy: -82.954 tors. eta vs tors. theta energy: -151.419 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: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1868.406841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.406841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.406841 (E_RNA) where: Base-Base interactions energy: -1314.374 where: short stacking energy: -534.409 Base-Backbone interact. energy: 0.504 local terms energy: -554.537214 where: bonds (distance) C4'-P energy: -109.241 bonds (distance) P-C4' energy: -109.776 flat angles C4'-P-C4' energy: -120.365 flat angles P-C4'-P energy: -75.174 tors. eta vs tors. theta energy: -139.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1739.292254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.292254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.292254 (E_RNA) where: Base-Base interactions energy: -1168.349 where: short stacking energy: -530.747 Base-Backbone interact. energy: -2.563 local terms energy: -568.379729 where: bonds (distance) C4'-P energy: -95.084 bonds (distance) P-C4' energy: -124.072 flat angles C4'-P-C4' energy: -122.455 flat angles P-C4'-P energy: -77.363 tors. eta vs tors. theta energy: -149.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1639.209006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.209006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.209006 (E_RNA) where: Base-Base interactions energy: -1093.702 where: short stacking energy: -481.062 Base-Backbone interact. energy: -1.970 local terms energy: -543.536668 where: bonds (distance) C4'-P energy: -102.864 bonds (distance) P-C4' energy: -114.520 flat angles C4'-P-C4' energy: -115.240 flat angles P-C4'-P energy: -65.507 tors. eta vs tors. theta energy: -145.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1655.385740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.385740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.385740 (E_RNA) where: Base-Base interactions energy: -1105.437 where: short stacking energy: -475.700 Base-Backbone interact. energy: -2.349 local terms energy: -547.600040 where: bonds (distance) C4'-P energy: -109.682 bonds (distance) P-C4' energy: -125.248 flat angles C4'-P-C4' energy: -107.926 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -134.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1436.218004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.218004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.218004 (E_RNA) where: Base-Base interactions energy: -959.328 where: short stacking energy: -408.226 Base-Backbone interact. energy: 2.411 local terms energy: -479.300484 where: bonds (distance) C4'-P energy: -93.936 bonds (distance) P-C4' energy: -94.095 flat angles C4'-P-C4' energy: -119.974 flat angles P-C4'-P energy: -84.421 tors. eta vs tors. theta energy: -86.875 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: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1174.727275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.727275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.727275 (E_RNA) where: Base-Base interactions energy: -725.593 where: short stacking energy: -334.508 Base-Backbone interact. energy: -0.757 local terms energy: -448.376949 where: bonds (distance) C4'-P energy: -103.175 bonds (distance) P-C4' energy: -108.993 flat angles C4'-P-C4' energy: -92.454 flat angles P-C4'-P energy: -71.946 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: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -879.934046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.934046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.934046 (E_RNA) where: Base-Base interactions energy: -500.300 where: short stacking energy: -255.439 Base-Backbone interact. energy: 0.120 local terms energy: -379.754743 where: bonds (distance) C4'-P energy: -99.619 bonds (distance) P-C4' energy: -110.441 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -29.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -599.098335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.098335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.098335 (E_RNA) where: Base-Base interactions energy: -273.746 where: short stacking energy: -152.333 Base-Backbone interact. energy: -1.826 local terms energy: -323.525782 where: bonds (distance) C4'-P energy: -96.309 bonds (distance) P-C4' energy: -107.567 flat angles C4'-P-C4' energy: -95.929 flat angles P-C4'-P energy: -36.193 tors. eta vs tors. theta energy: 12.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -460.083559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.083559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.083559 (E_RNA) where: Base-Base interactions energy: -182.574 where: short stacking energy: -145.413 Base-Backbone interact. energy: 4.316 local terms energy: -281.825440 where: bonds (distance) C4'-P energy: -79.423 bonds (distance) P-C4' energy: -92.168 flat angles C4'-P-C4' energy: -78.476 flat angles P-C4'-P energy: -38.617 tors. eta vs tors. theta energy: 6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1916.945587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.945587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.945587 (E_RNA) where: Base-Base interactions energy: -1338.170 where: short stacking energy: -542.445 Base-Backbone interact. energy: -0.614 local terms energy: -578.161603 where: bonds (distance) C4'-P energy: -119.028 bonds (distance) P-C4' energy: -127.397 flat angles C4'-P-C4' energy: -107.896 flat angles P-C4'-P energy: -73.991 tors. eta vs tors. theta energy: -149.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1850.899310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.899310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.899310 (E_RNA) where: Base-Base interactions energy: -1250.990 where: short stacking energy: -528.445 Base-Backbone interact. energy: -2.292 local terms energy: -597.617784 where: bonds (distance) C4'-P energy: -116.295 bonds (distance) P-C4' energy: -121.356 flat angles C4'-P-C4' energy: -124.491 flat angles P-C4'-P energy: -79.549 tors. eta vs tors. theta energy: -155.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1704.013828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.013828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.013828 (E_RNA) where: Base-Base interactions energy: -1117.645 where: short stacking energy: -513.862 Base-Backbone interact. energy: -4.359 local terms energy: -582.010242 where: bonds (distance) C4'-P energy: -108.368 bonds (distance) P-C4' energy: -121.776 flat angles C4'-P-C4' energy: -127.973 flat angles P-C4'-P energy: -80.027 tors. eta vs tors. theta energy: -143.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1705.460243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.460243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.460243 (E_RNA) where: Base-Base interactions energy: -1137.702 where: short stacking energy: -493.353 Base-Backbone interact. energy: -2.326 local terms energy: -565.433064 where: bonds (distance) C4'-P energy: -103.194 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -135.104 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -146.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1547.346970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.346970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.346970 (E_RNA) where: Base-Base interactions energy: -1075.930 where: short stacking energy: -442.142 Base-Backbone interact. energy: 2.799 local terms energy: -474.215522 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -99.286 flat angles C4'-P-C4' energy: -115.389 flat angles P-C4'-P energy: -62.701 tors. eta vs tors. theta energy: -105.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1573.376704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.376704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.376704 (E_RNA) where: Base-Base interactions energy: -1059.287 where: short stacking energy: -460.189 Base-Backbone interact. energy: -1.211 local terms energy: -512.878907 where: bonds (distance) C4'-P energy: -99.345 bonds (distance) P-C4' energy: -110.911 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -56.085 tors. eta vs tors. theta energy: -138.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1191.535887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.535887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.535887 (E_RNA) where: Base-Base interactions energy: -746.403 where: short stacking energy: -340.876 Base-Backbone interact. energy: -1.490 local terms energy: -443.643155 where: bonds (distance) C4'-P energy: -106.534 bonds (distance) P-C4' energy: -107.025 flat angles C4'-P-C4' energy: -94.242 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -72.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -850.898911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.898911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.898911 (E_RNA) where: Base-Base interactions energy: -463.132 where: short stacking energy: -251.850 Base-Backbone interact. energy: 2.185 local terms energy: -389.951807 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -93.290 flat angles P-C4'-P energy: -70.595 tors. eta vs tors. theta energy: -35.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -624.049104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.049104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.049104 (E_RNA) where: Base-Base interactions energy: -283.816 where: short stacking energy: -167.543 Base-Backbone interact. energy: -3.689 local terms energy: -336.544243 where: bonds (distance) C4'-P energy: -97.765 bonds (distance) P-C4' energy: -88.222 flat angles C4'-P-C4' energy: -86.057 flat angles P-C4'-P energy: -56.378 tors. eta vs tors. theta energy: -8.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -484.814484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.814484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.814484 (E_RNA) where: Base-Base interactions energy: -175.410 where: short stacking energy: -124.738 Base-Backbone interact. energy: 0.206 local terms energy: -309.610107 where: bonds (distance) C4'-P energy: -91.167 bonds (distance) P-C4' energy: -105.303 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1954.283823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.283823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.283823 (E_RNA) where: Base-Base interactions energy: -1352.269 where: short stacking energy: -556.610 Base-Backbone interact. energy: -2.577 local terms energy: -599.438072 where: bonds (distance) C4'-P energy: -115.088 bonds (distance) P-C4' energy: -109.643 flat angles C4'-P-C4' energy: -128.155 flat angles P-C4'-P energy: -85.209 tors. eta vs tors. theta energy: -161.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1822.883713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.883713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.883713 (E_RNA) where: Base-Base interactions energy: -1236.222 where: short stacking energy: -540.105 Base-Backbone interact. energy: -4.190 local terms energy: -582.472236 where: bonds (distance) C4'-P energy: -107.043 bonds (distance) P-C4' energy: -111.053 flat angles C4'-P-C4' energy: -131.908 flat angles P-C4'-P energy: -84.420 tors. eta vs tors. theta energy: -148.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1739.075402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.075402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.075402 (E_RNA) where: Base-Base interactions energy: -1187.079 where: short stacking energy: -513.909 Base-Backbone interact. energy: 0.568 local terms energy: -552.564489 where: bonds (distance) C4'-P energy: -98.385 bonds (distance) P-C4' energy: -105.749 flat angles C4'-P-C4' energy: -115.814 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -144.264 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: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1692.441480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.441480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.441480 (E_RNA) where: Base-Base interactions energy: -1147.902 where: short stacking energy: -487.049 Base-Backbone interact. energy: -0.408 local terms energy: -544.130941 where: bonds (distance) C4'-P energy: -104.620 bonds (distance) P-C4' energy: -110.477 flat angles C4'-P-C4' energy: -117.447 flat angles P-C4'-P energy: -75.617 tors. eta vs tors. theta energy: -135.970 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: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1594.087844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.087844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.087844 (E_RNA) where: Base-Base interactions energy: -1082.226 where: short stacking energy: -448.181 Base-Backbone interact. energy: -0.652 local terms energy: -511.210072 where: bonds (distance) C4'-P energy: -103.307 bonds (distance) P-C4' energy: -112.208 flat angles C4'-P-C4' energy: -111.010 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -114.425 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: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1518.580971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.580971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.580971 (E_RNA) where: Base-Base interactions energy: -1008.589 where: short stacking energy: -464.882 Base-Backbone interact. energy: -1.590 local terms energy: -508.401573 where: bonds (distance) C4'-P energy: -100.166 bonds (distance) P-C4' energy: -104.734 flat angles C4'-P-C4' energy: -113.303 flat angles P-C4'-P energy: -64.023 tors. eta vs tors. theta energy: -126.175 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: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1220.312934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.312934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.312934 (E_RNA) where: Base-Base interactions energy: -805.091 where: short stacking energy: -356.148 Base-Backbone interact. energy: -0.515 local terms energy: -414.706722 where: bonds (distance) C4'-P energy: -91.012 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -90.986 flat angles P-C4'-P energy: -53.469 tors. eta vs tors. theta energy: -76.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -816.738675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.738675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.738675 (E_RNA) where: Base-Base interactions energy: -439.378 where: short stacking energy: -227.619 Base-Backbone interact. energy: -1.019 local terms energy: -376.341318 where: bonds (distance) C4'-P energy: -89.926 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -89.171 flat angles P-C4'-P energy: -56.338 tors. eta vs tors. theta energy: -39.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -668.685621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.685621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.685621 (E_RNA) where: Base-Base interactions energy: -324.562 where: short stacking energy: -168.253 Base-Backbone interact. energy: 3.247 local terms energy: -347.370757 where: bonds (distance) C4'-P energy: -89.972 bonds (distance) P-C4' energy: -99.232 flat angles C4'-P-C4' energy: -103.330 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -459.327941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.327941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.327941 (E_RNA) where: Base-Base interactions energy: -160.008 where: short stacking energy: -134.787 Base-Backbone interact. energy: 4.359 local terms energy: -303.679734 where: bonds (distance) C4'-P energy: -90.286 bonds (distance) P-C4' energy: -88.489 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: 7.377 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: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1929.411657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.411657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.411657 (E_RNA) where: Base-Base interactions energy: -1327.967 where: short stacking energy: -542.171 Base-Backbone interact. energy: -2.674 local terms energy: -598.770386 where: bonds (distance) C4'-P energy: -113.835 bonds (distance) P-C4' energy: -117.049 flat angles C4'-P-C4' energy: -135.175 flat angles P-C4'-P energy: -79.528 tors. eta vs tors. theta energy: -153.184 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: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1810.924903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.924903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.924903 (E_RNA) where: Base-Base interactions energy: -1253.611 where: short stacking energy: -507.886 Base-Backbone interact. energy: 3.852 local terms energy: -561.165998 where: bonds (distance) C4'-P energy: -109.036 bonds (distance) P-C4' energy: -115.153 flat angles C4'-P-C4' energy: -116.052 flat angles P-C4'-P energy: -78.071 tors. eta vs tors. theta energy: -142.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1748.758302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.758302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.758302 (E_RNA) where: Base-Base interactions energy: -1165.396 where: short stacking energy: -506.318 Base-Backbone interact. energy: -1.679 local terms energy: -581.683722 where: bonds (distance) C4'-P energy: -116.634 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -129.752 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -145.328 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: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1666.013076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.013076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.013076 (E_RNA) where: Base-Base interactions energy: -1106.185 where: short stacking energy: -486.122 Base-Backbone interact. energy: -1.111 local terms energy: -558.717010 where: bonds (distance) C4'-P energy: -110.861 bonds (distance) P-C4' energy: -119.466 flat angles C4'-P-C4' energy: -110.364 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: -133.228 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: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1564.546297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.546297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.546297 (E_RNA) where: Base-Base interactions energy: -1051.762 where: short stacking energy: -451.395 Base-Backbone interact. energy: 1.991 local terms energy: -514.775901 where: bonds (distance) C4'-P energy: -88.404 bonds (distance) P-C4' energy: -124.438 flat angles C4'-P-C4' energy: -113.388 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -121.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1542.260225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.260225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.260225 (E_RNA) where: Base-Base interactions energy: -1049.488 where: short stacking energy: -485.530 Base-Backbone interact. energy: 0.939 local terms energy: -493.711431 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -112.329 flat angles P-C4'-P energy: -68.196 tors. eta vs tors. theta energy: -126.286 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: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1169.791131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.791131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.791131 (E_RNA) where: Base-Base interactions energy: -742.619 where: short stacking energy: -332.911 Base-Backbone interact. energy: 0.641 local terms energy: -427.812789 where: bonds (distance) C4'-P energy: -103.445 bonds (distance) P-C4' energy: -93.744 flat angles C4'-P-C4' energy: -104.329 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -64.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -826.378569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.378569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.378569 (E_RNA) where: Base-Base interactions energy: -466.077 where: short stacking energy: -232.533 Base-Backbone interact. energy: 1.538 local terms energy: -361.839700 where: bonds (distance) C4'-P energy: -97.029 bonds (distance) P-C4' energy: -100.157 flat angles C4'-P-C4' energy: -77.155 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -27.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -712.080778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.080778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.080778 (E_RNA) where: Base-Base interactions energy: -399.351 where: short stacking energy: -186.342 Base-Backbone interact. energy: -1.714 local terms energy: -311.015941 where: bonds (distance) C4'-P energy: -82.559 bonds (distance) P-C4' energy: -99.773 flat angles C4'-P-C4' energy: -90.609 flat angles P-C4'-P energy: -31.497 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -490.119322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.119322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.119322 (E_RNA) where: Base-Base interactions energy: -173.161 where: short stacking energy: -167.293 Base-Backbone interact. energy: 4.167 local terms energy: -321.125714 where: bonds (distance) C4'-P energy: -89.453 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -82.132 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: 2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1931.908732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.908732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.908732 (E_RNA) where: Base-Base interactions energy: -1324.876 where: short stacking energy: -568.891 Base-Backbone interact. energy: -1.767 local terms energy: -605.266174 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -114.112 flat angles C4'-P-C4' energy: -131.788 flat angles P-C4'-P energy: -92.033 tors. eta vs tors. theta energy: -158.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1818.185105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.185105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.185105 (E_RNA) where: Base-Base interactions energy: -1225.618 where: short stacking energy: -537.962 Base-Backbone interact. energy: 2.060 local terms energy: -594.626549 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -113.897 flat angles C4'-P-C4' energy: -133.542 flat angles P-C4'-P energy: -83.582 tors. eta vs tors. theta energy: -150.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1736.045354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.045354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.045354 (E_RNA) where: Base-Base interactions energy: -1159.612 where: short stacking energy: -506.433 Base-Backbone interact. energy: -0.400 local terms energy: -576.033399 where: bonds (distance) C4'-P energy: -115.105 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -123.018 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -150.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1706.904852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.904852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.904852 (E_RNA) where: Base-Base interactions energy: -1157.020 where: short stacking energy: -530.483 Base-Backbone interact. energy: -0.969 local terms energy: -548.915728 where: bonds (distance) C4'-P energy: -87.999 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -123.326 flat angles P-C4'-P energy: -81.623 tors. eta vs tors. theta energy: -155.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1560.496757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.496757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.496757 (E_RNA) where: Base-Base interactions energy: -1068.237 where: short stacking energy: -443.695 Base-Backbone interact. energy: -2.409 local terms energy: -489.850063 where: bonds (distance) C4'-P energy: -102.936 bonds (distance) P-C4' energy: -98.726 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -108.848 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: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1534.296658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.296658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.296658 (E_RNA) where: Base-Base interactions energy: -1010.906 where: short stacking energy: -481.051 Base-Backbone interact. energy: -0.830 local terms energy: -522.560454 where: bonds (distance) C4'-P energy: -91.753 bonds (distance) P-C4' energy: -114.889 flat angles C4'-P-C4' energy: -116.972 flat angles P-C4'-P energy: -60.374 tors. eta vs tors. theta energy: -138.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1103.172183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.172183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.172183 (E_RNA) where: Base-Base interactions energy: -667.203 where: short stacking energy: -309.476 Base-Backbone interact. energy: 4.855 local terms energy: -440.823651 where: bonds (distance) C4'-P energy: -92.898 bonds (distance) P-C4' energy: -103.163 flat angles C4'-P-C4' energy: -122.892 flat angles P-C4'-P energy: -57.325 tors. eta vs tors. theta energy: -64.547 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: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -840.329761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.329761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.329761 (E_RNA) where: Base-Base interactions energy: -448.510 where: short stacking energy: -246.410 Base-Backbone interact. energy: 0.844 local terms energy: -392.663607 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -108.426 flat angles C4'-P-C4' energy: -82.534 flat angles P-C4'-P energy: -65.912 tors. eta vs tors. theta energy: -38.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -713.667571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.667571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.667571 (E_RNA) where: Base-Base interactions energy: -391.881 where: short stacking energy: -241.616 Base-Backbone interact. energy: -1.552 local terms energy: -320.234949 where: bonds (distance) C4'-P energy: -88.856 bonds (distance) P-C4' energy: -79.725 flat angles C4'-P-C4' energy: -89.971 flat angles P-C4'-P energy: -32.301 tors. eta vs tors. theta energy: -29.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -433.590448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.590448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.590448 (E_RNA) where: Base-Base interactions energy: -157.010 where: short stacking energy: -149.340 Base-Backbone interact. energy: -0.886 local terms energy: -275.693928 where: bonds (distance) C4'-P energy: -99.074 bonds (distance) P-C4' energy: -85.476 flat angles C4'-P-C4' energy: -74.896 flat angles P-C4'-P energy: -25.556 tors. eta vs tors. theta energy: 9.308 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: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1936.624788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.624788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.624788 (E_RNA) where: Base-Base interactions energy: -1332.903 where: short stacking energy: -577.119 Base-Backbone interact. energy: -3.906 local terms energy: -599.816088 where: bonds (distance) C4'-P energy: -110.822 bonds (distance) P-C4' energy: -109.712 flat angles C4'-P-C4' energy: -128.252 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -166.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1809.694080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.694080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.694080 (E_RNA) where: Base-Base interactions energy: -1246.646 where: short stacking energy: -539.452 Base-Backbone interact. energy: -0.104 local terms energy: -562.944182 where: bonds (distance) C4'-P energy: -107.325 bonds (distance) P-C4' energy: -84.855 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -86.757 tors. eta vs tors. theta energy: -145.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1771.348687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.348687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.348687 (E_RNA) where: Base-Base interactions energy: -1204.335 where: short stacking energy: -538.189 Base-Backbone interact. energy: 1.641 local terms energy: -568.654061 where: bonds (distance) C4'-P energy: -101.567 bonds (distance) P-C4' energy: -101.597 flat angles C4'-P-C4' energy: -125.181 flat angles P-C4'-P energy: -83.081 tors. eta vs tors. theta energy: -157.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1676.546395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.546395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.546395 (E_RNA) where: Base-Base interactions energy: -1103.199 where: short stacking energy: -502.299 Base-Backbone interact. energy: -4.480 local terms energy: -568.867056 where: bonds (distance) C4'-P energy: -99.933 bonds (distance) P-C4' energy: -122.198 flat angles C4'-P-C4' energy: -133.696 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -138.518 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: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1521.141143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.141143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.141143 (E_RNA) where: Base-Base interactions energy: -1018.714 where: short stacking energy: -450.479 Base-Backbone interact. energy: -2.623 local terms energy: -499.804211 where: bonds (distance) C4'-P energy: -111.254 bonds (distance) P-C4' energy: -94.316 flat angles C4'-P-C4' energy: -112.969 flat angles P-C4'-P energy: -67.272 tors. eta vs tors. theta energy: -113.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1536.192593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.192593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.192593 (E_RNA) where: Base-Base interactions energy: -1020.028 where: short stacking energy: -472.413 Base-Backbone interact. energy: -0.514 local terms energy: -515.649893 where: bonds (distance) C4'-P energy: -99.563 bonds (distance) P-C4' energy: -114.699 flat angles C4'-P-C4' energy: -105.838 flat angles P-C4'-P energy: -71.340 tors. eta vs tors. theta energy: -124.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1141.146894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.146894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.146894 (E_RNA) where: Base-Base interactions energy: -728.886 where: short stacking energy: -311.896 Base-Backbone interact. energy: -0.847 local terms energy: -411.414156 where: bonds (distance) C4'-P energy: -93.569 bonds (distance) P-C4' energy: -91.576 flat angles C4'-P-C4' energy: -99.172 flat angles P-C4'-P energy: -67.059 tors. eta vs tors. theta energy: -60.038 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: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -848.607965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.607965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.607965 (E_RNA) where: Base-Base interactions energy: -470.390 where: short stacking energy: -254.593 Base-Backbone interact. energy: -1.676 local terms energy: -376.542006 where: bonds (distance) C4'-P energy: -83.921 bonds (distance) P-C4' energy: -102.264 flat angles C4'-P-C4' energy: -98.939 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -44.359 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: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -717.724864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.724864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.724864 (E_RNA) where: Base-Base interactions energy: -357.309 where: short stacking energy: -209.657 Base-Backbone interact. energy: -1.882 local terms energy: -358.533559 where: bonds (distance) C4'-P energy: -96.723 bonds (distance) P-C4' energy: -99.852 flat angles C4'-P-C4' energy: -81.935 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -20.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -437.787243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.787243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.787243 (E_RNA) where: Base-Base interactions energy: -172.539 where: short stacking energy: -156.788 Base-Backbone interact. energy: -1.572 local terms energy: -263.676684 where: bonds (distance) C4'-P energy: -83.347 bonds (distance) P-C4' energy: -82.814 flat angles C4'-P-C4' energy: -77.867 flat angles P-C4'-P energy: -32.405 tors. eta vs tors. theta energy: 12.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1905.154269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.154269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.154269 (E_RNA) where: Base-Base interactions energy: -1302.950 where: short stacking energy: -551.099 Base-Backbone interact. energy: -1.548 local terms energy: -600.656138 where: bonds (distance) C4'-P energy: -119.792 bonds (distance) P-C4' energy: -121.028 flat angles C4'-P-C4' energy: -130.543 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -155.848 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: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1797.487066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.487066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.487066 (E_RNA) where: Base-Base interactions energy: -1226.304 where: short stacking energy: -537.307 Base-Backbone interact. energy: -1.855 local terms energy: -569.328135 where: bonds (distance) C4'-P energy: -90.371 bonds (distance) P-C4' energy: -126.412 flat angles C4'-P-C4' energy: -123.594 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -140.581 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: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1804.225056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.225056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.225056 (E_RNA) where: Base-Base interactions energy: -1224.769 where: short stacking energy: -550.372 Base-Backbone interact. energy: -5.090 local terms energy: -574.366026 where: bonds (distance) C4'-P energy: -108.447 bonds (distance) P-C4' energy: -107.165 flat angles C4'-P-C4' energy: -123.356 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -152.314 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: 155 Temperature: 1.050000 Total energy: -1648.423573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.423573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.423573 (E_RNA) where: Base-Base interactions energy: -1093.687 where: short stacking energy: -491.256 Base-Backbone interact. energy: -3.427 local terms energy: -551.309850 where: bonds (distance) C4'-P energy: -112.318 bonds (distance) P-C4' energy: -93.691 flat angles C4'-P-C4' energy: -130.427 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: -144.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1578.284460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.284460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.284460 (E_RNA) where: Base-Base interactions energy: -1072.306 where: short stacking energy: -458.056 Base-Backbone interact. energy: -0.031 local terms energy: -505.947895 where: bonds (distance) C4'-P energy: -99.262 bonds (distance) P-C4' energy: -109.844 flat angles C4'-P-C4' energy: -111.915 flat angles P-C4'-P energy: -70.239 tors. eta vs tors. theta energy: -114.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1524.215249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.215249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.215249 (E_RNA) where: Base-Base interactions energy: -1001.911 where: short stacking energy: -437.807 Base-Backbone interact. energy: -0.286 local terms energy: -522.017722 where: bonds (distance) C4'-P energy: -118.158 bonds (distance) P-C4' energy: -108.719 flat angles C4'-P-C4' energy: -103.041 flat angles P-C4'-P energy: -72.197 tors. eta vs tors. theta energy: -119.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1144.033911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.033911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.033911 (E_RNA) where: Base-Base interactions energy: -721.034 where: short stacking energy: -335.212 Base-Backbone interact. energy: -3.730 local terms energy: -419.270097 where: bonds (distance) C4'-P energy: -93.533 bonds (distance) P-C4' energy: -91.434 flat angles C4'-P-C4' energy: -105.105 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -55.625 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: 8, replica: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -854.488156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.488156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.488156 (E_RNA) where: Base-Base interactions energy: -501.648 where: short stacking energy: -272.402 Base-Backbone interact. energy: -1.925 local terms energy: -350.915105 where: bonds (distance) C4'-P energy: -91.390 bonds (distance) P-C4' energy: -88.270 flat angles C4'-P-C4' energy: -90.185 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: -28.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -803.672027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.672027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.672027 (E_RNA) where: Base-Base interactions energy: -479.089 where: short stacking energy: -231.705 Base-Backbone interact. energy: 1.859 local terms energy: -326.441922 where: bonds (distance) C4'-P energy: -90.362 bonds (distance) P-C4' energy: -91.953 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -41.004 tors. eta vs tors. theta energy: -20.941 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: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -454.146786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.146786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.146786 (E_RNA) where: Base-Base interactions energy: -168.683 where: short stacking energy: -139.323 Base-Backbone interact. energy: -1.546 local terms energy: -283.918096 where: bonds (distance) C4'-P energy: -103.028 bonds (distance) P-C4' energy: -94.528 flat angles C4'-P-C4' energy: -63.914 flat angles P-C4'-P energy: -47.427 tors. eta vs tors. theta energy: 24.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1903.720118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.720118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.720118 (E_RNA) where: Base-Base interactions energy: -1310.563 where: short stacking energy: -540.025 Base-Backbone interact. energy: -1.720 local terms energy: -591.437246 where: bonds (distance) C4'-P energy: -114.560 bonds (distance) P-C4' energy: -129.037 flat angles C4'-P-C4' energy: -121.093 flat angles P-C4'-P energy: -76.764 tors. eta vs tors. theta energy: -149.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1839.638881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.638881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.638881 (E_RNA) where: Base-Base interactions energy: -1262.291 where: short stacking energy: -542.379 Base-Backbone interact. energy: -0.566 local terms energy: -576.781547 where: bonds (distance) C4'-P energy: -118.315 bonds (distance) P-C4' energy: -109.258 flat angles C4'-P-C4' energy: -122.687 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -155.594 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: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1792.615321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.615321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.615321 (E_RNA) where: Base-Base interactions energy: -1221.368 where: short stacking energy: -515.506 Base-Backbone interact. energy: -1.980 local terms energy: -569.266504 where: bonds (distance) C4'-P energy: -110.885 bonds (distance) P-C4' energy: -122.044 flat angles C4'-P-C4' energy: -113.657 flat angles P-C4'-P energy: -74.145 tors. eta vs tors. theta energy: -148.536 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: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1601.253010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.253010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.253010 (E_RNA) where: Base-Base interactions energy: -1070.986 where: short stacking energy: -476.267 Base-Backbone interact. energy: 0.010 local terms energy: -530.277265 where: bonds (distance) C4'-P energy: -114.097 bonds (distance) P-C4' energy: -86.271 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -74.267 tors. eta vs tors. theta energy: -132.483 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: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1551.992948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.992948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.992948 (E_RNA) where: Base-Base interactions energy: -1053.357 where: short stacking energy: -448.991 Base-Backbone interact. energy: -2.384 local terms energy: -496.252369 where: bonds (distance) C4'-P energy: -104.484 bonds (distance) P-C4' energy: -104.882 flat angles C4'-P-C4' energy: -110.340 flat angles P-C4'-P energy: -64.820 tors. eta vs tors. theta energy: -111.727 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: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1496.050029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.050029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.050029 (E_RNA) where: Base-Base interactions energy: -975.209 where: short stacking energy: -456.272 Base-Backbone interact. energy: -0.375 local terms energy: -520.466235 where: bonds (distance) C4'-P energy: -92.434 bonds (distance) P-C4' energy: -106.358 flat angles C4'-P-C4' energy: -123.616 flat angles P-C4'-P energy: -73.941 tors. eta vs tors. theta energy: -124.117 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: 156 Temperature: 1.200000 Total energy: -1170.521889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.521889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.521889 (E_RNA) where: Base-Base interactions energy: -737.148 where: short stacking energy: -344.867 Base-Backbone interact. energy: 2.335 local terms energy: -435.708734 where: bonds (distance) C4'-P energy: -94.249 bonds (distance) P-C4' energy: -97.268 flat angles C4'-P-C4' energy: -83.075 flat angles P-C4'-P energy: -76.330 tors. eta vs tors. theta energy: -84.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -892.807748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.807748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.807748 (E_RNA) where: Base-Base interactions energy: -542.807 where: short stacking energy: -300.548 Base-Backbone interact. energy: -0.627 local terms energy: -349.373181 where: bonds (distance) C4'-P energy: -82.009 bonds (distance) P-C4' energy: -83.128 flat angles C4'-P-C4' energy: -99.556 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -41.489 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: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -815.353588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.353588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.353588 (E_RNA) where: Base-Base interactions energy: -486.314 where: short stacking energy: -244.411 Base-Backbone interact. energy: 6.107 local terms energy: -335.147009 where: bonds (distance) C4'-P energy: -86.708 bonds (distance) P-C4' energy: -87.309 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -55.482 tors. eta vs tors. theta energy: -24.255 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: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -530.945422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.945422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.945422 (E_RNA) where: Base-Base interactions energy: -217.726 where: short stacking energy: -172.754 Base-Backbone interact. energy: -2.794 local terms energy: -310.424649 where: bonds (distance) C4'-P energy: -104.828 bonds (distance) P-C4' energy: -95.974 flat angles C4'-P-C4' energy: -76.203 flat angles P-C4'-P energy: -33.197 tors. eta vs tors. theta energy: -0.222 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: 157 Temperature: 0.900000 Total energy: -1932.550286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.550286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.550286 (E_RNA) where: Base-Base interactions energy: -1327.800 where: short stacking energy: -549.288 Base-Backbone interact. energy: -4.309 local terms energy: -600.440781 where: bonds (distance) C4'-P energy: -115.329 bonds (distance) P-C4' energy: -106.864 flat angles C4'-P-C4' energy: -123.369 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -161.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1802.095053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.095053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.095053 (E_RNA) where: Base-Base interactions energy: -1227.903 where: short stacking energy: -541.655 Base-Backbone interact. energy: 0.472 local terms energy: -574.663788 where: bonds (distance) C4'-P energy: -106.510 bonds (distance) P-C4' energy: -105.860 flat angles C4'-P-C4' energy: -116.342 flat angles P-C4'-P energy: -93.167 tors. eta vs tors. theta energy: -152.785 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: 157 Temperature: 1.000000 Total energy: -1807.891635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.891635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.891635 (E_RNA) where: Base-Base interactions energy: -1250.719 where: short stacking energy: -525.927 Base-Backbone interact. energy: 10.749 local terms energy: -567.921767 where: bonds (distance) C4'-P energy: -110.246 bonds (distance) P-C4' energy: -114.324 flat angles C4'-P-C4' energy: -122.847 flat angles P-C4'-P energy: -72.691 tors. eta vs tors. theta energy: -147.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1663.270293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.270293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.270293 (E_RNA) where: Base-Base interactions energy: -1097.419 where: short stacking energy: -480.194 Base-Backbone interact. energy: -4.027 local terms energy: -561.824266 where: bonds (distance) C4'-P energy: -100.351 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -112.254 flat angles P-C4'-P energy: -88.691 tors. eta vs tors. theta energy: -140.966 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: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1528.131765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.131765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.131765 (E_RNA) where: Base-Base interactions energy: -1015.912 where: short stacking energy: -437.358 Base-Backbone interact. energy: -3.460 local terms energy: -508.760344 where: bonds (distance) C4'-P energy: -104.294 bonds (distance) P-C4' energy: -111.191 flat angles C4'-P-C4' energy: -119.034 flat angles P-C4'-P energy: -53.467 tors. eta vs tors. theta energy: -120.774 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: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1500.325203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.325203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.325203 (E_RNA) where: Base-Base interactions energy: -998.531 where: short stacking energy: -445.542 Base-Backbone interact. energy: -1.375 local terms energy: -500.419488 where: bonds (distance) C4'-P energy: -97.494 bonds (distance) P-C4' energy: -102.777 flat angles C4'-P-C4' energy: -101.785 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -115.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1218.299220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.299220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.299220 (E_RNA) where: Base-Base interactions energy: -779.812 where: short stacking energy: -356.539 Base-Backbone interact. energy: 0.223 local terms energy: -438.709586 where: bonds (distance) C4'-P energy: -96.121 bonds (distance) P-C4' energy: -96.407 flat angles C4'-P-C4' energy: -95.757 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -89.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -901.598679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.598679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.598679 (E_RNA) where: Base-Base interactions energy: -517.170 where: short stacking energy: -243.945 Base-Backbone interact. energy: 1.266 local terms energy: -385.694941 where: bonds (distance) C4'-P energy: -95.567 bonds (distance) P-C4' energy: -105.768 flat angles C4'-P-C4' energy: -87.841 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -30.185 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: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -837.152805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.152805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.152805 (E_RNA) where: Base-Base interactions energy: -462.654 where: short stacking energy: -201.033 Base-Backbone interact. energy: 1.493 local terms energy: -375.991071 where: bonds (distance) C4'-P energy: -96.090 bonds (distance) P-C4' energy: -115.797 flat angles C4'-P-C4' energy: -86.923 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -17.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -479.464331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.464331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.464331 (E_RNA) where: Base-Base interactions energy: -178.859 where: short stacking energy: -134.181 Base-Backbone interact. energy: -0.639 local terms energy: -299.965918 where: bonds (distance) C4'-P energy: -91.177 bonds (distance) P-C4' energy: -96.612 flat angles C4'-P-C4' energy: -77.261 flat angles P-C4'-P energy: -51.103 tors. eta vs tors. theta energy: 16.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1932.236526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.236526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.236526 (E_RNA) where: Base-Base interactions energy: -1345.945 where: short stacking energy: -560.146 Base-Backbone interact. energy: -2.086 local terms energy: -584.204920 where: bonds (distance) C4'-P energy: -104.631 bonds (distance) P-C4' energy: -116.623 flat angles C4'-P-C4' energy: -127.382 flat angles P-C4'-P energy: -79.247 tors. eta vs tors. theta energy: -156.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1833.334378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.334378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.334378 (E_RNA) where: Base-Base interactions energy: -1228.504 where: short stacking energy: -541.447 Base-Backbone interact. energy: -2.930 local terms energy: -601.901297 where: bonds (distance) C4'-P energy: -106.387 bonds (distance) P-C4' energy: -114.386 flat angles C4'-P-C4' energy: -122.657 flat angles P-C4'-P energy: -95.002 tors. eta vs tors. theta energy: -163.469 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: 158 Temperature: 1.000000 Total energy: -1749.166401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.166401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.166401 (E_RNA) where: Base-Base interactions energy: -1211.121 where: short stacking energy: -510.086 Base-Backbone interact. energy: -0.911 local terms energy: -537.133950 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -88.811 flat angles C4'-P-C4' energy: -127.568 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -138.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1685.668014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.668014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.668014 (E_RNA) where: Base-Base interactions energy: -1137.544 where: short stacking energy: -514.814 Base-Backbone interact. energy: -3.785 local terms energy: -544.339399 where: bonds (distance) C4'-P energy: -101.126 bonds (distance) P-C4' energy: -113.590 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -71.401 tors. eta vs tors. theta energy: -143.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1539.590359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.590359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.590359 (E_RNA) where: Base-Base interactions energy: -1052.712 where: short stacking energy: -445.570 Base-Backbone interact. energy: -1.441 local terms energy: -485.437335 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -100.838 flat angles C4'-P-C4' energy: -116.991 flat angles P-C4'-P energy: -64.453 tors. eta vs tors. theta energy: -116.828 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: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1501.571176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.571176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.571176 (E_RNA) where: Base-Base interactions energy: -990.308 where: short stacking energy: -460.034 Base-Backbone interact. energy: -0.671 local terms energy: -510.592124 where: bonds (distance) C4'-P energy: -97.571 bonds (distance) P-C4' energy: -98.191 flat angles C4'-P-C4' energy: -118.559 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -133.850 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: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1130.041797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.041797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.041797 (E_RNA) where: Base-Base interactions energy: -711.698 where: short stacking energy: -316.279 Base-Backbone interact. energy: -3.086 local terms energy: -415.257705 where: bonds (distance) C4'-P energy: -91.130 bonds (distance) P-C4' energy: -97.299 flat angles C4'-P-C4' energy: -96.107 flat angles P-C4'-P energy: -56.931 tors. eta vs tors. theta energy: -73.791 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: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -979.917931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.917931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.917931 (E_RNA) where: Base-Base interactions energy: -579.949 where: short stacking energy: -273.993 Base-Backbone interact. energy: 1.493 local terms energy: -401.461666 where: bonds (distance) C4'-P energy: -95.328 bonds (distance) P-C4' energy: -103.130 flat angles C4'-P-C4' energy: -110.616 flat angles P-C4'-P energy: -37.117 tors. eta vs tors. theta energy: -55.272 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: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -836.005739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.005739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.005739 (E_RNA) where: Base-Base interactions energy: -481.981 where: short stacking energy: -252.929 Base-Backbone interact. energy: 4.691 local terms energy: -358.715759 where: bonds (distance) C4'-P energy: -97.680 bonds (distance) P-C4' energy: -99.511 flat angles C4'-P-C4' energy: -88.074 flat angles P-C4'-P energy: -56.081 tors. eta vs tors. theta energy: -17.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -500.620085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.620085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.620085 (E_RNA) where: Base-Base interactions energy: -200.363 where: short stacking energy: -145.320 Base-Backbone interact. energy: -0.702 local terms energy: -299.554823 where: bonds (distance) C4'-P energy: -89.789 bonds (distance) P-C4' energy: -98.894 flat angles C4'-P-C4' energy: -80.039 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: 10.817 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: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1915.829792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.829792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.829792 (E_RNA) where: Base-Base interactions energy: -1305.996 where: short stacking energy: -541.255 Base-Backbone interact. energy: -2.546 local terms energy: -607.288493 where: bonds (distance) C4'-P energy: -129.328 bonds (distance) P-C4' energy: -122.407 flat angles C4'-P-C4' energy: -124.350 flat angles P-C4'-P energy: -73.804 tors. eta vs tors. theta energy: -157.400 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: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1853.376145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.376145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.376145 (E_RNA) where: Base-Base interactions energy: -1246.884 where: short stacking energy: -569.668 Base-Backbone interact. energy: -1.587 local terms energy: -604.904269 where: bonds (distance) C4'-P energy: -113.080 bonds (distance) P-C4' energy: -105.029 flat angles C4'-P-C4' energy: -121.480 flat angles P-C4'-P energy: -88.886 tors. eta vs tors. theta energy: -176.429 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: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1743.718625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.718625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.718625 (E_RNA) where: Base-Base interactions energy: -1208.750 where: short stacking energy: -527.542 Base-Backbone interact. energy: -3.122 local terms energy: -531.846498 where: bonds (distance) C4'-P energy: -103.621 bonds (distance) P-C4' energy: -111.945 flat angles C4'-P-C4' energy: -108.785 flat angles P-C4'-P energy: -69.625 tors. eta vs tors. theta energy: -137.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1620.381528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.381528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.381528 (E_RNA) where: Base-Base interactions energy: -1075.243 where: short stacking energy: -499.602 Base-Backbone interact. energy: -1.311 local terms energy: -543.827699 where: bonds (distance) C4'-P energy: -101.678 bonds (distance) P-C4' energy: -115.842 flat angles C4'-P-C4' energy: -112.838 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: -144.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1594.612651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.612651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.612651 (E_RNA) where: Base-Base interactions energy: -1098.678 where: short stacking energy: -463.850 Base-Backbone interact. energy: -1.349 local terms energy: -494.585819 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -96.691 flat angles C4'-P-C4' energy: -120.151 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -126.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1524.776715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.776715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.776715 (E_RNA) where: Base-Base interactions energy: -1030.789 where: short stacking energy: -470.681 Base-Backbone interact. energy: 1.014 local terms energy: -495.001821 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -106.170 flat angles C4'-P-C4' energy: -121.949 flat angles P-C4'-P energy: -53.163 tors. eta vs tors. theta energy: -118.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1168.821309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.821309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.821309 (E_RNA) where: Base-Base interactions energy: -733.355 where: short stacking energy: -338.352 Base-Backbone interact. energy: 4.790 local terms energy: -440.255774 where: bonds (distance) C4'-P energy: -103.711 bonds (distance) P-C4' energy: -94.839 flat angles C4'-P-C4' energy: -102.414 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -72.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -989.037185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.037185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.037185 (E_RNA) where: Base-Base interactions energy: -606.826 where: short stacking energy: -293.844 Base-Backbone interact. energy: 2.236 local terms energy: -384.447312 where: bonds (distance) C4'-P energy: -86.223 bonds (distance) P-C4' energy: -108.484 flat angles C4'-P-C4' energy: -91.791 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -47.720 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: 159 Temperature: 1.300000 Total energy: -826.631910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.631910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.631910 (E_RNA) where: Base-Base interactions energy: -456.710 where: short stacking energy: -221.232 Base-Backbone interact. energy: -1.673 local terms energy: -368.249780 where: bonds (distance) C4'-P energy: -112.811 bonds (distance) P-C4' energy: -98.349 flat angles C4'-P-C4' energy: -66.763 flat angles P-C4'-P energy: -61.660 tors. eta vs tors. theta energy: -28.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -449.899858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.899858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.899858 (E_RNA) where: Base-Base interactions energy: -162.115 where: short stacking energy: -131.988 Base-Backbone interact. energy: 6.740 local terms energy: -294.525476 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -87.161 flat angles C4'-P-C4' energy: -72.846 flat angles P-C4'-P energy: -52.561 tors. eta vs tors. theta energy: 11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1909.820641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.820641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.820641 (E_RNA) where: Base-Base interactions energy: -1306.316 where: short stacking energy: -553.728 Base-Backbone interact. energy: -3.086 local terms energy: -600.418412 where: bonds (distance) C4'-P energy: -112.240 bonds (distance) P-C4' energy: -114.209 flat angles C4'-P-C4' energy: -128.732 flat angles P-C4'-P energy: -87.937 tors. eta vs tors. theta energy: -157.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1895.938284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.938284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.938284 (E_RNA) where: Base-Base interactions energy: -1278.245 where: short stacking energy: -572.727 Base-Backbone interact. energy: -1.249 local terms energy: -616.443758 where: bonds (distance) C4'-P energy: -111.973 bonds (distance) P-C4' energy: -110.314 flat angles C4'-P-C4' energy: -128.572 flat angles P-C4'-P energy: -86.136 tors. eta vs tors. theta energy: -179.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1751.287854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.287854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.287854 (E_RNA) where: Base-Base interactions energy: -1170.757 where: short stacking energy: -463.885 Base-Backbone interact. energy: -1.180 local terms energy: -579.351060 where: bonds (distance) C4'-P energy: -120.517 bonds (distance) P-C4' energy: -119.464 flat angles C4'-P-C4' energy: -120.200 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -134.694 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: 160 Temperature: 1.050000 Total energy: -1649.930647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.930647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.930647 (E_RNA) where: Base-Base interactions energy: -1108.087 where: short stacking energy: -501.293 Base-Backbone interact. energy: 3.892 local terms energy: -545.735031 where: bonds (distance) C4'-P energy: -104.407 bonds (distance) P-C4' energy: -107.069 flat angles C4'-P-C4' energy: -113.353 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -153.527 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: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1563.915630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.915630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.915630 (E_RNA) where: Base-Base interactions energy: -1033.855 where: short stacking energy: -468.237 Base-Backbone interact. energy: -2.019 local terms energy: -528.041402 where: bonds (distance) C4'-P energy: -94.735 bonds (distance) P-C4' energy: -106.206 flat angles C4'-P-C4' energy: -118.559 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: -140.352 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: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1493.769241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.769241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.769241 (E_RNA) where: Base-Base interactions energy: -1014.529 where: short stacking energy: -425.568 Base-Backbone interact. energy: -1.399 local terms energy: -477.841367 where: bonds (distance) C4'-P energy: -88.609 bonds (distance) P-C4' energy: -101.339 flat angles C4'-P-C4' energy: -116.344 flat angles P-C4'-P energy: -57.010 tors. eta vs tors. theta energy: -114.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1181.410716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.410716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.410716 (E_RNA) where: Base-Base interactions energy: -735.702 where: short stacking energy: -353.772 Base-Backbone interact. energy: 0.653 local terms energy: -446.361376 where: bonds (distance) C4'-P energy: -88.572 bonds (distance) P-C4' energy: -101.525 flat angles C4'-P-C4' energy: -114.630 flat angles P-C4'-P energy: -59.769 tors. eta vs tors. theta energy: -81.865 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: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1037.883669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.883669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.883669 (E_RNA) where: Base-Base interactions energy: -625.161 where: short stacking energy: -283.357 Base-Backbone interact. energy: -2.635 local terms energy: -410.087880 where: bonds (distance) C4'-P energy: -91.757 bonds (distance) P-C4' energy: -94.223 flat angles C4'-P-C4' energy: -107.333 flat angles P-C4'-P energy: -75.198 tors. eta vs tors. theta energy: -41.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -847.083944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.083944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.083944 (E_RNA) where: Base-Base interactions energy: -511.258 where: short stacking energy: -225.900 Base-Backbone interact. energy: -0.445 local terms energy: -335.380703 where: bonds (distance) C4'-P energy: -83.804 bonds (distance) P-C4' energy: -92.178 flat angles C4'-P-C4' energy: -81.339 flat angles P-C4'-P energy: -52.067 tors. eta vs tors. theta energy: -25.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -470.883327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.883327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.883327 (E_RNA) where: Base-Base interactions energy: -149.280 where: short stacking energy: -124.733 Base-Backbone interact. energy: 3.182 local terms energy: -324.785937 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -104.840 flat angles C4'-P-C4' energy: -85.692 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: 14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1952.809152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.809152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.809152 (E_RNA) where: Base-Base interactions energy: -1348.126 where: short stacking energy: -568.033 Base-Backbone interact. energy: -3.723 local terms energy: -600.959808 where: bonds (distance) C4'-P energy: -105.993 bonds (distance) P-C4' energy: -126.343 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -83.371 tors. eta vs tors. theta energy: -163.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1865.690895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.690895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.690895 (E_RNA) where: Base-Base interactions energy: -1267.728 where: short stacking energy: -551.664 Base-Backbone interact. energy: -2.011 local terms energy: -595.951433 where: bonds (distance) C4'-P energy: -117.032 bonds (distance) P-C4' energy: -113.845 flat angles C4'-P-C4' energy: -120.797 flat angles P-C4'-P energy: -86.175 tors. eta vs tors. theta energy: -158.103 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: 3, replica: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1776.150831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.150831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.150831 (E_RNA) where: Base-Base interactions energy: -1212.307 where: short stacking energy: -502.772 Base-Backbone interact. energy: -4.756 local terms energy: -559.088405 where: bonds (distance) C4'-P energy: -103.443 bonds (distance) P-C4' energy: -126.859 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: -141.018 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: 161 Temperature: 1.050000 Total energy: -1671.849837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.849837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.849837 (E_RNA) where: Base-Base interactions energy: -1131.209 where: short stacking energy: -522.878 Base-Backbone interact. energy: -3.606 local terms energy: -537.034679 where: bonds (distance) C4'-P energy: -99.893 bonds (distance) P-C4' energy: -99.701 flat angles C4'-P-C4' energy: -116.317 flat angles P-C4'-P energy: -74.195 tors. eta vs tors. theta energy: -146.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1526.796335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.796335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.796335 (E_RNA) where: Base-Base interactions energy: -1007.962 where: short stacking energy: -462.190 Base-Backbone interact. energy: -2.167 local terms energy: -516.667073 where: bonds (distance) C4'-P energy: -104.901 bonds (distance) P-C4' energy: -108.454 flat angles C4'-P-C4' energy: -104.857 flat angles P-C4'-P energy: -71.996 tors. eta vs tors. theta energy: -126.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1416.387883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.387883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.387883 (E_RNA) where: Base-Base interactions energy: -941.102 where: short stacking energy: -401.812 Base-Backbone interact. energy: -0.063 local terms energy: -475.223609 where: bonds (distance) C4'-P energy: -101.795 bonds (distance) P-C4' energy: -106.370 flat angles C4'-P-C4' energy: -105.508 flat angles P-C4'-P energy: -69.448 tors. eta vs tors. theta energy: -92.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1172.728229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.728229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.728229 (E_RNA) where: Base-Base interactions energy: -746.287 where: short stacking energy: -337.082 Base-Backbone interact. energy: -1.901 local terms energy: -424.540028 where: bonds (distance) C4'-P energy: -94.588 bonds (distance) P-C4' energy: -92.523 flat angles C4'-P-C4' energy: -102.948 flat angles P-C4'-P energy: -67.621 tors. eta vs tors. theta energy: -66.861 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: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1005.777733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.777733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.777733 (E_RNA) where: Base-Base interactions energy: -625.229 where: short stacking energy: -272.497 Base-Backbone interact. energy: -2.574 local terms energy: -377.975136 where: bonds (distance) C4'-P energy: -93.137 bonds (distance) P-C4' energy: -112.693 flat angles C4'-P-C4' energy: -100.249 flat angles P-C4'-P energy: -39.075 tors. eta vs tors. theta energy: -32.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -786.769396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.769396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.769396 (E_RNA) where: Base-Base interactions energy: -437.048 where: short stacking energy: -200.817 Base-Backbone interact. energy: -1.207 local terms energy: -348.514318 where: bonds (distance) C4'-P energy: -91.012 bonds (distance) P-C4' energy: -95.311 flat angles C4'-P-C4' energy: -105.766 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -13.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -482.973466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.973466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.973466 (E_RNA) where: Base-Base interactions energy: -168.822 where: short stacking energy: -137.983 Base-Backbone interact. energy: 1.196 local terms energy: -315.347981 where: bonds (distance) C4'-P energy: -88.857 bonds (distance) P-C4' energy: -88.677 flat angles C4'-P-C4' energy: -84.746 flat angles P-C4'-P energy: -55.327 tors. eta vs tors. theta energy: 2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1958.624518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.624518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.624518 (E_RNA) where: Base-Base interactions energy: -1347.202 where: short stacking energy: -562.910 Base-Backbone interact. energy: -0.531 local terms energy: -610.891559 where: bonds (distance) C4'-P energy: -124.067 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -133.676 flat angles P-C4'-P energy: -77.445 tors. eta vs tors. theta energy: -159.544 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: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1877.681211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.681211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.681211 (E_RNA) where: Base-Base interactions energy: -1267.509 where: short stacking energy: -567.901 Base-Backbone interact. energy: 0.598 local terms energy: -610.769697 where: bonds (distance) C4'-P energy: -111.529 bonds (distance) P-C4' energy: -116.101 flat angles C4'-P-C4' energy: -132.366 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: -168.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1791.668789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.668789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.668789 (E_RNA) where: Base-Base interactions energy: -1203.306 where: short stacking energy: -520.048 Base-Backbone interact. energy: -2.585 local terms energy: -585.778181 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -113.059 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -74.068 tors. eta vs tors. theta energy: -148.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1642.213287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.213287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.213287 (E_RNA) where: Base-Base interactions energy: -1098.574 where: short stacking energy: -513.794 Base-Backbone interact. energy: -3.610 local terms energy: -540.029424 where: bonds (distance) C4'-P energy: -95.507 bonds (distance) P-C4' energy: -103.398 flat angles C4'-P-C4' energy: -114.808 flat angles P-C4'-P energy: -87.371 tors. eta vs tors. theta energy: -138.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1561.578436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.578436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.578436 (E_RNA) where: Base-Base interactions energy: -1035.425 where: short stacking energy: -487.559 Base-Backbone interact. energy: -1.571 local terms energy: -524.582418 where: bonds (distance) C4'-P energy: -95.594 bonds (distance) P-C4' energy: -99.858 flat angles C4'-P-C4' energy: -116.928 flat angles P-C4'-P energy: -79.061 tors. eta vs tors. theta energy: -133.141 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: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1437.493403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.493403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.493403 (E_RNA) where: Base-Base interactions energy: -950.077 where: short stacking energy: -425.817 Base-Backbone interact. energy: -1.966 local terms energy: -485.450383 where: bonds (distance) C4'-P energy: -111.254 bonds (distance) P-C4' energy: -102.893 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -57.688 tors. eta vs tors. theta energy: -101.055 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1157.681784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.681784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.681784 (E_RNA) where: Base-Base interactions energy: -732.368 where: short stacking energy: -323.011 Base-Backbone interact. energy: 0.318 local terms energy: -425.631788 where: bonds (distance) C4'-P energy: -93.179 bonds (distance) P-C4' energy: -103.270 flat angles C4'-P-C4' energy: -93.782 flat angles P-C4'-P energy: -71.843 tors. eta vs tors. theta energy: -63.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1010.153262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.153262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.153262 (E_RNA) where: Base-Base interactions energy: -614.142 where: short stacking energy: -305.230 Base-Backbone interact. energy: 1.402 local terms energy: -397.413044 where: bonds (distance) C4'-P energy: -85.943 bonds (distance) P-C4' energy: -105.248 flat angles C4'-P-C4' energy: -110.106 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -51.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -827.672711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.672711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.672711 (E_RNA) where: Base-Base interactions energy: -486.618 where: short stacking energy: -258.846 Base-Backbone interact. energy: 0.500 local terms energy: -341.554267 where: bonds (distance) C4'-P energy: -95.096 bonds (distance) P-C4' energy: -94.019 flat angles C4'-P-C4' energy: -81.003 flat angles P-C4'-P energy: -32.204 tors. eta vs tors. theta energy: -39.233 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: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -457.049314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.049314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.049314 (E_RNA) where: Base-Base interactions energy: -161.220 where: short stacking energy: -130.592 Base-Backbone interact. energy: 7.391 local terms energy: -303.220676 where: bonds (distance) C4'-P energy: -96.834 bonds (distance) P-C4' energy: -97.295 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: 27.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1958.296813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.296813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.296813 (E_RNA) where: Base-Base interactions energy: -1316.742 where: short stacking energy: -564.234 Base-Backbone interact. energy: -3.897 local terms energy: -637.657584 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -119.578 flat angles C4'-P-C4' energy: -141.964 flat angles P-C4'-P energy: -86.283 tors. eta vs tors. theta energy: -166.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1866.215717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.215717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.215717 (E_RNA) where: Base-Base interactions energy: -1282.174 where: short stacking energy: -542.992 Base-Backbone interact. energy: 7.621 local terms energy: -591.662739 where: bonds (distance) C4'-P energy: -95.991 bonds (distance) P-C4' energy: -117.977 flat angles C4'-P-C4' energy: -132.673 flat angles P-C4'-P energy: -83.644 tors. eta vs tors. theta energy: -161.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1796.374015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.374015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.374015 (E_RNA) where: Base-Base interactions energy: -1231.665 where: short stacking energy: -511.773 Base-Backbone interact. energy: 0.004 local terms energy: -564.713326 where: bonds (distance) C4'-P energy: -113.285 bonds (distance) P-C4' energy: -110.584 flat angles C4'-P-C4' energy: -119.256 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -143.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1715.197833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.197833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.197833 (E_RNA) where: Base-Base interactions energy: -1150.310 where: short stacking energy: -487.812 Base-Backbone interact. energy: -4.597 local terms energy: -560.290990 where: bonds (distance) C4'-P energy: -106.912 bonds (distance) P-C4' energy: -102.651 flat angles C4'-P-C4' energy: -120.015 flat angles P-C4'-P energy: -83.899 tors. eta vs tors. theta energy: -146.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1580.426453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.426453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.426453 (E_RNA) where: Base-Base interactions energy: -1036.710 where: short stacking energy: -455.055 Base-Backbone interact. energy: -1.117 local terms energy: -542.600381 where: bonds (distance) C4'-P energy: -115.976 bonds (distance) P-C4' energy: -109.030 flat angles C4'-P-C4' energy: -116.695 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -125.310 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: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1393.685823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.685823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.685823 (E_RNA) where: Base-Base interactions energy: -912.202 where: short stacking energy: -400.791 Base-Backbone interact. energy: 0.481 local terms energy: -481.965144 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -100.286 flat angles C4'-P-C4' energy: -105.314 flat angles P-C4'-P energy: -79.122 tors. eta vs tors. theta energy: -90.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1184.407493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.407493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.407493 (E_RNA) where: Base-Base interactions energy: -774.965 where: short stacking energy: -359.875 Base-Backbone interact. energy: -2.903 local terms energy: -406.539781 where: bonds (distance) C4'-P energy: -87.630 bonds (distance) P-C4' energy: -96.756 flat angles C4'-P-C4' energy: -92.360 flat angles P-C4'-P energy: -70.234 tors. eta vs tors. theta energy: -59.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1042.438779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.438779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.438779 (E_RNA) where: Base-Base interactions energy: -650.270 where: short stacking energy: -312.105 Base-Backbone interact. energy: -0.590 local terms energy: -391.578999 where: bonds (distance) C4'-P energy: -106.050 bonds (distance) P-C4' energy: -87.966 flat angles C4'-P-C4' energy: -88.705 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: -50.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -786.977047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.977047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.977047 (E_RNA) where: Base-Base interactions energy: -447.057 where: short stacking energy: -226.823 Base-Backbone interact. energy: 2.578 local terms energy: -342.497596 where: bonds (distance) C4'-P energy: -95.758 bonds (distance) P-C4' energy: -100.656 flat angles C4'-P-C4' energy: -74.489 flat angles P-C4'-P energy: -61.588 tors. eta vs tors. theta energy: -10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -457.810414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.810414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.810414 (E_RNA) where: Base-Base interactions energy: -147.516 where: short stacking energy: -137.848 Base-Backbone interact. energy: 2.688 local terms energy: -312.982717 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -99.793 flat angles C4'-P-C4' energy: -90.561 flat angles P-C4'-P energy: -46.764 tors. eta vs tors. theta energy: 12.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1938.365725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.365725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.365725 (E_RNA) where: Base-Base interactions energy: -1344.699 where: short stacking energy: -549.608 Base-Backbone interact. energy: -0.245 local terms energy: -593.420926 where: bonds (distance) C4'-P energy: -117.020 bonds (distance) P-C4' energy: -121.102 flat angles C4'-P-C4' energy: -126.080 flat angles P-C4'-P energy: -85.811 tors. eta vs tors. theta energy: -143.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1910.030917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.030917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.030917 (E_RNA) where: Base-Base interactions energy: -1304.873 where: short stacking energy: -580.592 Base-Backbone interact. energy: -0.606 local terms energy: -604.552492 where: bonds (distance) C4'-P energy: -112.625 bonds (distance) P-C4' energy: -118.738 flat angles C4'-P-C4' energy: -124.483 flat angles P-C4'-P energy: -85.805 tors. eta vs tors. theta energy: -162.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1758.815187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.815187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.815187 (E_RNA) where: Base-Base interactions energy: -1186.002 where: short stacking energy: -533.724 Base-Backbone interact. energy: -0.560 local terms energy: -572.253573 where: bonds (distance) C4'-P energy: -104.716 bonds (distance) P-C4' energy: -103.297 flat angles C4'-P-C4' energy: -119.143 flat angles P-C4'-P energy: -86.959 tors. eta vs tors. theta energy: -158.139 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: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1727.408773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.408773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.408773 (E_RNA) where: Base-Base interactions energy: -1189.737 where: short stacking energy: -487.490 Base-Backbone interact. energy: -0.697 local terms energy: -536.974121 where: bonds (distance) C4'-P energy: -105.835 bonds (distance) P-C4' energy: -98.204 flat angles C4'-P-C4' energy: -116.422 flat angles P-C4'-P energy: -78.949 tors. eta vs tors. theta energy: -137.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1571.991497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.991497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.991497 (E_RNA) where: Base-Base interactions energy: -1067.872 where: short stacking energy: -464.297 Base-Backbone interact. energy: -2.672 local terms energy: -501.448143 where: bonds (distance) C4'-P energy: -85.424 bonds (distance) P-C4' energy: -100.203 flat angles C4'-P-C4' energy: -114.901 flat angles P-C4'-P energy: -73.976 tors. eta vs tors. theta energy: -126.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1329.573323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.573323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.573323 (E_RNA) where: Base-Base interactions energy: -882.083 where: short stacking energy: -381.539 Base-Backbone interact. energy: -1.555 local terms energy: -445.936022 where: bonds (distance) C4'-P energy: -100.532 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -89.376 flat angles P-C4'-P energy: -65.896 tors. eta vs tors. theta energy: -87.677 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: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1195.168098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.168098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.168098 (E_RNA) where: Base-Base interactions energy: -748.365 where: short stacking energy: -330.112 Base-Backbone interact. energy: -3.133 local terms energy: -443.669748 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -105.345 flat angles C4'-P-C4' energy: -109.514 flat angles P-C4'-P energy: -53.243 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: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1025.395185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.395185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.395185 (E_RNA) where: Base-Base interactions energy: -601.197 where: short stacking energy: -307.494 Base-Backbone interact. energy: -2.893 local terms energy: -421.305071 where: bonds (distance) C4'-P energy: -87.250 bonds (distance) P-C4' energy: -118.170 flat angles C4'-P-C4' energy: -103.406 flat angles P-C4'-P energy: -51.178 tors. eta vs tors. theta energy: -61.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -803.286428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.286428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.286428 (E_RNA) where: Base-Base interactions energy: -446.934 where: short stacking energy: -209.764 Base-Backbone interact. energy: 4.080 local terms energy: -360.432484 where: bonds (distance) C4'-P energy: -84.858 bonds (distance) P-C4' energy: -94.455 flat angles C4'-P-C4' energy: -95.534 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -20.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -474.676408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.676408 (E_RNA) where: Base-Base interactions energy: -161.470 where: short stacking energy: -141.015 Base-Backbone interact. energy: 3.343 local terms energy: -316.548858 where: bonds (distance) C4'-P energy: -97.959 bonds (distance) P-C4' energy: -95.493 flat angles C4'-P-C4' energy: -84.491 flat angles P-C4'-P energy: -41.510 tors. eta vs tors. theta energy: 2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1937.752330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.752330 (E_RNA) where: Base-Base interactions energy: -1331.584 where: short stacking energy: -542.408 Base-Backbone interact. energy: -4.732 local terms energy: -601.435985 where: bonds (distance) C4'-P energy: -117.579 bonds (distance) P-C4' energy: -112.358 flat angles C4'-P-C4' energy: -132.319 flat angles P-C4'-P energy: -80.524 tors. eta vs tors. theta energy: -158.657 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: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1892.040168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.040168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.040168 (E_RNA) where: Base-Base interactions energy: -1276.985 where: short stacking energy: -560.147 Base-Backbone interact. energy: -1.047 local terms energy: -614.007510 where: bonds (distance) C4'-P energy: -110.736 bonds (distance) P-C4' energy: -114.408 flat angles C4'-P-C4' energy: -132.777 flat angles P-C4'-P energy: -92.392 tors. eta vs tors. theta energy: -163.694 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: 165 Temperature: 1.000000 Total energy: -1739.671782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.671782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.671782 (E_RNA) where: Base-Base interactions energy: -1164.590 where: short stacking energy: -520.501 Base-Backbone interact. energy: -4.780 local terms energy: -570.301710 where: bonds (distance) C4'-P energy: -96.549 bonds (distance) P-C4' energy: -108.343 flat angles C4'-P-C4' energy: -118.979 flat angles P-C4'-P energy: -85.177 tors. eta vs tors. theta energy: -161.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1703.465843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.465843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.465843 (E_RNA) where: Base-Base interactions energy: -1178.905 where: short stacking energy: -484.757 Base-Backbone interact. energy: -0.714 local terms energy: -523.846572 where: bonds (distance) C4'-P energy: -106.912 bonds (distance) P-C4' energy: -92.160 flat angles C4'-P-C4' energy: -116.298 flat angles P-C4'-P energy: -77.476 tors. eta vs tors. theta energy: -131.001 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: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1529.194427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.194427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.194427 (E_RNA) where: Base-Base interactions energy: -1027.419 where: short stacking energy: -468.476 Base-Backbone interact. energy: 0.387 local terms energy: -502.162419 where: bonds (distance) C4'-P energy: -89.001 bonds (distance) P-C4' energy: -101.882 flat angles C4'-P-C4' energy: -114.214 flat angles P-C4'-P energy: -73.535 tors. eta vs tors. theta energy: -123.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1414.961539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.961539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.961539 (E_RNA) where: Base-Base interactions energy: -931.857 where: short stacking energy: -417.043 Base-Backbone interact. energy: -4.165 local terms energy: -478.939280 where: bonds (distance) C4'-P energy: -98.998 bonds (distance) P-C4' energy: -92.915 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -78.792 tors. eta vs tors. theta energy: -97.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1213.170812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.170812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.170812 (E_RNA) where: Base-Base interactions energy: -757.349 where: short stacking energy: -333.206 Base-Backbone interact. energy: -2.313 local terms energy: -453.508771 where: bonds (distance) C4'-P energy: -95.672 bonds (distance) P-C4' energy: -107.124 flat angles C4'-P-C4' energy: -104.941 flat angles P-C4'-P energy: -72.437 tors. eta vs tors. theta energy: -73.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1034.845084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.845084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.845084 (E_RNA) where: Base-Base interactions energy: -653.040 where: short stacking energy: -299.838 Base-Backbone interact. energy: 0.716 local terms energy: -382.520778 where: bonds (distance) C4'-P energy: -85.079 bonds (distance) P-C4' energy: -81.196 flat angles C4'-P-C4' energy: -114.138 flat angles P-C4'-P energy: -57.457 tors. eta vs tors. theta energy: -44.651 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: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -806.874307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.874307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.874307 (E_RNA) where: Base-Base interactions energy: -449.831 where: short stacking energy: -227.681 Base-Backbone interact. energy: 3.911 local terms energy: -360.955043 where: bonds (distance) C4'-P energy: -96.941 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -102.218 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -24.802 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: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -433.167647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.167647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.167647 (E_RNA) where: Base-Base interactions energy: -149.981 where: short stacking energy: -108.990 Base-Backbone interact. energy: 4.343 local terms energy: -287.529667 where: bonds (distance) C4'-P energy: -81.552 bonds (distance) P-C4' energy: -90.170 flat angles C4'-P-C4' energy: -79.656 flat angles P-C4'-P energy: -64.984 tors. eta vs tors. theta energy: 28.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1926.747443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.747443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.747443 (E_RNA) where: Base-Base interactions energy: -1332.006 where: short stacking energy: -567.974 Base-Backbone interact. energy: -2.379 local terms energy: -592.362277 where: bonds (distance) C4'-P energy: -102.228 bonds (distance) P-C4' energy: -120.379 flat angles C4'-P-C4' energy: -134.307 flat angles P-C4'-P energy: -77.246 tors. eta vs tors. theta energy: -158.202 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: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1900.248027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.248027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.248027 (E_RNA) where: Base-Base interactions energy: -1286.992 where: short stacking energy: -573.853 Base-Backbone interact. energy: -2.715 local terms energy: -610.541105 where: bonds (distance) C4'-P energy: -113.122 bonds (distance) P-C4' energy: -114.308 flat angles C4'-P-C4' energy: -123.238 flat angles P-C4'-P energy: -89.423 tors. eta vs tors. theta energy: -170.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1757.778264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.778264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.778264 (E_RNA) where: Base-Base interactions energy: -1205.009 where: short stacking energy: -517.089 Base-Backbone interact. energy: -0.028 local terms energy: -552.741234 where: bonds (distance) C4'-P energy: -107.463 bonds (distance) P-C4' energy: -119.412 flat angles C4'-P-C4' energy: -114.457 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -142.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1709.482112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.482112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.482112 (E_RNA) where: Base-Base interactions energy: -1129.148 where: short stacking energy: -500.639 Base-Backbone interact. energy: -1.496 local terms energy: -578.838781 where: bonds (distance) C4'-P energy: -113.714 bonds (distance) P-C4' energy: -102.636 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -83.749 tors. eta vs tors. theta energy: -158.191 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: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1502.347649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.347649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.347649 (E_RNA) where: Base-Base interactions energy: -961.927 where: short stacking energy: -448.899 Base-Backbone interact. energy: -0.342 local terms energy: -540.078979 where: bonds (distance) C4'-P energy: -104.460 bonds (distance) P-C4' energy: -113.086 flat angles C4'-P-C4' energy: -120.400 flat angles P-C4'-P energy: -82.861 tors. eta vs tors. theta energy: -119.272 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: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1363.596224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.596224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.596224 (E_RNA) where: Base-Base interactions energy: -891.489 where: short stacking energy: -416.758 Base-Backbone interact. energy: 1.474 local terms energy: -473.581833 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -104.806 flat angles C4'-P-C4' energy: -107.487 flat angles P-C4'-P energy: -73.845 tors. eta vs tors. theta energy: -98.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1259.865595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.865595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.865595 (E_RNA) where: Base-Base interactions energy: -827.582 where: short stacking energy: -376.465 Base-Backbone interact. energy: 0.058 local terms energy: -432.341386 where: bonds (distance) C4'-P energy: -90.958 bonds (distance) P-C4' energy: -106.226 flat angles C4'-P-C4' energy: -100.122 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -73.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1053.760204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.760204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.760204 (E_RNA) where: Base-Base interactions energy: -687.900 where: short stacking energy: -314.976 Base-Backbone interact. energy: -0.179 local terms energy: -365.681622 where: bonds (distance) C4'-P energy: -84.942 bonds (distance) P-C4' energy: -81.709 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -57.526 tors. eta vs tors. theta energy: -49.926 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: 9, replica: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -867.766785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.766785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.766785 (E_RNA) where: Base-Base interactions energy: -515.029 where: short stacking energy: -245.175 Base-Backbone interact. energy: 4.858 local terms energy: -357.595914 where: bonds (distance) C4'-P energy: -91.277 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -96.535 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -34.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -455.548038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.548038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.548038 (E_RNA) where: Base-Base interactions energy: -157.119 where: short stacking energy: -135.970 Base-Backbone interact. energy: -3.876 local terms energy: -294.552267 where: bonds (distance) C4'-P energy: -86.907 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -90.039 flat angles P-C4'-P energy: -36.446 tors. eta vs tors. theta energy: 20.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1933.971306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.971306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.971306 (E_RNA) where: Base-Base interactions energy: -1325.676 where: short stacking energy: -585.454 Base-Backbone interact. energy: -4.216 local terms energy: -604.079871 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -106.222 flat angles C4'-P-C4' energy: -134.980 flat angles P-C4'-P energy: -94.477 tors. eta vs tors. theta energy: -163.419 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: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1915.743504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.743504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.743504 (E_RNA) where: Base-Base interactions energy: -1318.954 where: short stacking energy: -582.442 Base-Backbone interact. energy: -1.859 local terms energy: -594.930208 where: bonds (distance) C4'-P energy: -113.121 bonds (distance) P-C4' energy: -116.127 flat angles C4'-P-C4' energy: -117.840 flat angles P-C4'-P energy: -74.235 tors. eta vs tors. theta energy: -173.607 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: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1772.192506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.192506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.192506 (E_RNA) where: Base-Base interactions energy: -1222.202 where: short stacking energy: -522.208 Base-Backbone interact. energy: -0.186 local terms energy: -549.804572 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -110.812 flat angles C4'-P-C4' energy: -127.507 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -142.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1674.769439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.769439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.769439 (E_RNA) where: Base-Base interactions energy: -1151.339 where: short stacking energy: -533.758 Base-Backbone interact. energy: -1.660 local terms energy: -521.770616 where: bonds (distance) C4'-P energy: -83.743 bonds (distance) P-C4' energy: -100.156 flat angles C4'-P-C4' energy: -122.934 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -147.353 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: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1529.155642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.155642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.155642 (E_RNA) where: Base-Base interactions energy: -1019.991 where: short stacking energy: -469.089 Base-Backbone interact. energy: -0.224 local terms energy: -508.940900 where: bonds (distance) C4'-P energy: -97.332 bonds (distance) P-C4' energy: -99.501 flat angles C4'-P-C4' energy: -106.189 flat angles P-C4'-P energy: -86.199 tors. eta vs tors. theta energy: -119.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1363.626415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.626415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.626415 (E_RNA) where: Base-Base interactions energy: -877.788 where: short stacking energy: -390.246 Base-Backbone interact. energy: -6.641 local terms energy: -479.196643 where: bonds (distance) C4'-P energy: -102.080 bonds (distance) P-C4' energy: -107.624 flat angles C4'-P-C4' energy: -110.723 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: -102.117 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: 167 Temperature: 1.200000 Total energy: -1242.887685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.887685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.887685 (E_RNA) where: Base-Base interactions energy: -813.107 where: short stacking energy: -371.783 Base-Backbone interact. energy: 1.035 local terms energy: -430.816524 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -105.496 flat angles C4'-P-C4' energy: -87.138 flat angles P-C4'-P energy: -65.038 tors. eta vs tors. theta energy: -82.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1027.271627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.271627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.271627 (E_RNA) where: Base-Base interactions energy: -629.969 where: short stacking energy: -278.978 Base-Backbone interact. energy: -1.795 local terms energy: -395.508293 where: bonds (distance) C4'-P energy: -98.898 bonds (distance) P-C4' energy: -98.776 flat angles C4'-P-C4' energy: -103.312 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -44.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -856.943057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.943057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.943057 (E_RNA) where: Base-Base interactions energy: -472.591 where: short stacking energy: -229.961 Base-Backbone interact. energy: 0.940 local terms energy: -385.292086 where: bonds (distance) C4'-P energy: -105.852 bonds (distance) P-C4' energy: -101.656 flat angles C4'-P-C4' energy: -99.332 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -15.600 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: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -479.564812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.564812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.564812 (E_RNA) where: Base-Base interactions energy: -179.165 where: short stacking energy: -120.078 Base-Backbone interact. energy: 8.011 local terms energy: -308.410360 where: bonds (distance) C4'-P energy: -98.570 bonds (distance) P-C4' energy: -128.263 flat angles C4'-P-C4' energy: -68.207 flat angles P-C4'-P energy: -32.049 tors. eta vs tors. theta energy: 18.679 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: 168 Temperature: 0.900000 Total energy: -1902.067391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.067391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.067391 (E_RNA) where: Base-Base interactions energy: -1283.592 where: short stacking energy: -559.711 Base-Backbone interact. energy: -2.048 local terms energy: -616.427560 where: bonds (distance) C4'-P energy: -118.728 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -131.570 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -159.691 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: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1923.905816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.905816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.905816 (E_RNA) where: Base-Base interactions energy: -1333.946 where: short stacking energy: -547.211 Base-Backbone interact. energy: -1.803 local terms energy: -588.156429 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -106.236 flat angles C4'-P-C4' energy: -119.834 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -160.320 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: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1756.222595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.222595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.222595 (E_RNA) where: Base-Base interactions energy: -1185.798 where: short stacking energy: -544.380 Base-Backbone interact. energy: -1.012 local terms energy: -569.413405 where: bonds (distance) C4'-P energy: -110.722 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -129.168 flat angles P-C4'-P energy: -71.455 tors. eta vs tors. theta energy: -153.131 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: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1713.480364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.480364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.480364 (E_RNA) where: Base-Base interactions energy: -1185.136 where: short stacking energy: -508.743 Base-Backbone interact. energy: -0.142 local terms energy: -528.202491 where: bonds (distance) C4'-P energy: -101.653 bonds (distance) P-C4' energy: -99.357 flat angles C4'-P-C4' energy: -108.366 flat angles P-C4'-P energy: -83.469 tors. eta vs tors. theta energy: -135.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1517.041052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.041052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.041052 (E_RNA) where: Base-Base interactions energy: -1002.537 where: short stacking energy: -469.748 Base-Backbone interact. energy: -1.451 local terms energy: -513.053053 where: bonds (distance) C4'-P energy: -98.814 bonds (distance) P-C4' energy: -117.321 flat angles C4'-P-C4' energy: -113.234 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -120.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1332.530598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.530598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.530598 (E_RNA) where: Base-Base interactions energy: -860.755 where: short stacking energy: -397.630 Base-Backbone interact. energy: -1.056 local terms energy: -470.720245 where: bonds (distance) C4'-P energy: -103.023 bonds (distance) P-C4' energy: -107.389 flat angles C4'-P-C4' energy: -99.892 flat angles P-C4'-P energy: -69.479 tors. eta vs tors. theta energy: -90.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1234.106867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.106867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.106867 (E_RNA) where: Base-Base interactions energy: -773.620 where: short stacking energy: -331.815 Base-Backbone interact. energy: 0.709 local terms energy: -461.195581 where: bonds (distance) C4'-P energy: -91.906 bonds (distance) P-C4' energy: -114.903 flat angles C4'-P-C4' energy: -112.705 flat angles P-C4'-P energy: -67.392 tors. eta vs tors. theta energy: -74.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1061.749236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.749236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.749236 (E_RNA) where: Base-Base interactions energy: -662.559 where: short stacking energy: -328.413 Base-Backbone interact. energy: 2.328 local terms energy: -401.518670 where: bonds (distance) C4'-P energy: -75.394 bonds (distance) P-C4' energy: -107.075 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -50.603 tors. eta vs tors. theta energy: -71.346 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: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -835.594337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.594337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.594337 (E_RNA) where: Base-Base interactions energy: -460.775 where: short stacking energy: -242.474 Base-Backbone interact. energy: 2.607 local terms energy: -377.426108 where: bonds (distance) C4'-P energy: -109.325 bonds (distance) P-C4' energy: -104.087 flat angles C4'-P-C4' energy: -80.420 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -32.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -494.640782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.640782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.640782 (E_RNA) where: Base-Base interactions energy: -226.525 where: short stacking energy: -167.586 Base-Backbone interact. energy: 1.099 local terms energy: -269.214705 where: bonds (distance) C4'-P energy: -66.882 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -71.205 flat angles P-C4'-P energy: -32.712 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1907.354215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.354215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.354215 (E_RNA) where: Base-Base interactions energy: -1311.751 where: short stacking energy: -559.889 Base-Backbone interact. energy: -2.357 local terms energy: -593.246048 where: bonds (distance) C4'-P energy: -115.081 bonds (distance) P-C4' energy: -111.926 flat angles C4'-P-C4' energy: -132.728 flat angles P-C4'-P energy: -72.714 tors. eta vs tors. theta energy: -160.797 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: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1923.857376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.857376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.857376 (E_RNA) where: Base-Base interactions energy: -1309.320 where: short stacking energy: -555.238 Base-Backbone interact. energy: 0.831 local terms energy: -615.368449 where: bonds (distance) C4'-P energy: -115.046 bonds (distance) P-C4' energy: -122.857 flat angles C4'-P-C4' energy: -134.671 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -166.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1737.233230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.233230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.233230 (E_RNA) where: Base-Base interactions energy: -1179.032 where: short stacking energy: -517.313 Base-Backbone interact. energy: -2.326 local terms energy: -555.874507 where: bonds (distance) C4'-P energy: -106.908 bonds (distance) P-C4' energy: -99.655 flat angles C4'-P-C4' energy: -130.341 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -141.778 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: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1714.617461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.617461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.617461 (E_RNA) where: Base-Base interactions energy: -1190.692 where: short stacking energy: -499.236 Base-Backbone interact. energy: 6.920 local terms energy: -530.846072 where: bonds (distance) C4'-P energy: -110.906 bonds (distance) P-C4' energy: -103.442 flat angles C4'-P-C4' energy: -113.978 flat angles P-C4'-P energy: -65.757 tors. eta vs tors. theta energy: -136.764 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: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1565.756308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.756308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.756308 (E_RNA) where: Base-Base interactions energy: -1048.511 where: short stacking energy: -460.544 Base-Backbone interact. energy: -1.273 local terms energy: -515.973211 where: bonds (distance) C4'-P energy: -112.219 bonds (distance) P-C4' energy: -88.286 flat angles C4'-P-C4' energy: -111.343 flat angles P-C4'-P energy: -72.098 tors. eta vs tors. theta energy: -132.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1282.148999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.148999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.148999 (E_RNA) where: Base-Base interactions energy: -812.044 where: short stacking energy: -367.750 Base-Backbone interact. energy: -3.958 local terms energy: -466.146946 where: bonds (distance) C4'-P energy: -112.455 bonds (distance) P-C4' energy: -101.736 flat angles C4'-P-C4' energy: -97.483 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: -78.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1270.918188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.918188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.918188 (E_RNA) where: Base-Base interactions energy: -792.260 where: short stacking energy: -350.332 Base-Backbone interact. energy: -1.168 local terms energy: -477.489727 where: bonds (distance) C4'-P energy: -105.895 bonds (distance) P-C4' energy: -109.146 flat angles C4'-P-C4' energy: -114.062 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -85.719 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: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1040.200818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.200818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.200818 (E_RNA) where: Base-Base interactions energy: -630.246 where: short stacking energy: -300.487 Base-Backbone interact. energy: 3.649 local terms energy: -413.603428 where: bonds (distance) C4'-P energy: -78.355 bonds (distance) P-C4' energy: -95.699 flat angles C4'-P-C4' energy: -109.620 flat angles P-C4'-P energy: -74.339 tors. eta vs tors. theta energy: -55.590 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: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -786.840748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.840748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.840748 (E_RNA) where: Base-Base interactions energy: -448.966 where: short stacking energy: -228.815 Base-Backbone interact. energy: -1.500 local terms energy: -336.374381 where: bonds (distance) C4'-P energy: -82.570 bonds (distance) P-C4' energy: -89.779 flat angles C4'-P-C4' energy: -81.699 flat angles P-C4'-P energy: -62.317 tors. eta vs tors. theta energy: -20.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -453.279903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.279903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.279903 (E_RNA) where: Base-Base interactions energy: -157.659 where: short stacking energy: -128.937 Base-Backbone interact. energy: 7.038 local terms energy: -302.659313 where: bonds (distance) C4'-P energy: -92.161 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -83.306 flat angles P-C4'-P energy: -37.581 tors. eta vs tors. theta energy: 8.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1954.782802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.782802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.782802 (E_RNA) where: Base-Base interactions energy: -1312.952 where: short stacking energy: -588.320 Base-Backbone interact. energy: 0.005 local terms energy: -641.836144 where: bonds (distance) C4'-P energy: -114.687 bonds (distance) P-C4' energy: -126.196 flat angles C4'-P-C4' energy: -134.565 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -177.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1877.776698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.776698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.776698 (E_RNA) where: Base-Base interactions energy: -1286.448 where: short stacking energy: -551.454 Base-Backbone interact. energy: -1.403 local terms energy: -589.926332 where: bonds (distance) C4'-P energy: -106.345 bonds (distance) P-C4' energy: -111.533 flat angles C4'-P-C4' energy: -132.092 flat angles P-C4'-P energy: -82.466 tors. eta vs tors. theta energy: -157.491 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: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1760.440863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.440863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.440863 (E_RNA) where: Base-Base interactions energy: -1170.186 where: short stacking energy: -523.359 Base-Backbone interact. energy: -5.742 local terms energy: -584.512939 where: bonds (distance) C4'-P energy: -102.401 bonds (distance) P-C4' energy: -124.950 flat angles C4'-P-C4' energy: -126.583 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -138.582 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: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1731.531460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.531460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.531460 (E_RNA) where: Base-Base interactions energy: -1182.467 where: short stacking energy: -505.759 Base-Backbone interact. energy: -1.468 local terms energy: -547.596386 where: bonds (distance) C4'-P energy: -92.580 bonds (distance) P-C4' energy: -110.366 flat angles C4'-P-C4' energy: -128.675 flat angles P-C4'-P energy: -78.395 tors. eta vs tors. theta energy: -137.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1575.291899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.291899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.291899 (E_RNA) where: Base-Base interactions energy: -1048.405 where: short stacking energy: -461.928 Base-Backbone interact. energy: -1.010 local terms energy: -525.876801 where: bonds (distance) C4'-P energy: -98.296 bonds (distance) P-C4' energy: -110.519 flat angles C4'-P-C4' energy: -101.882 flat angles P-C4'-P energy: -81.837 tors. eta vs tors. theta energy: -133.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1288.485653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.485653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.485653 (E_RNA) where: Base-Base interactions energy: -840.332 where: short stacking energy: -378.924 Base-Backbone interact. energy: 0.048 local terms energy: -448.201477 where: bonds (distance) C4'-P energy: -93.731 bonds (distance) P-C4' energy: -105.275 flat angles C4'-P-C4' energy: -105.443 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -76.780 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: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1298.931951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.931951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.931951 (E_RNA) where: Base-Base interactions energy: -856.553 where: short stacking energy: -349.069 Base-Backbone interact. energy: -1.481 local terms energy: -440.897738 where: bonds (distance) C4'-P energy: -78.365 bonds (distance) P-C4' energy: -108.594 flat angles C4'-P-C4' energy: -112.443 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -75.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1048.565303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.565303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.565303 (E_RNA) where: Base-Base interactions energy: -631.839 where: short stacking energy: -298.079 Base-Backbone interact. energy: -2.584 local terms energy: -414.142463 where: bonds (distance) C4'-P energy: -103.555 bonds (distance) P-C4' energy: -81.208 flat angles C4'-P-C4' energy: -102.807 flat angles P-C4'-P energy: -70.630 tors. eta vs tors. theta energy: -55.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -810.630773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.630773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.630773 (E_RNA) where: Base-Base interactions energy: -462.738 where: short stacking energy: -247.484 Base-Backbone interact. energy: 0.987 local terms energy: -348.879492 where: bonds (distance) C4'-P energy: -68.720 bonds (distance) P-C4' energy: -111.068 flat angles C4'-P-C4' energy: -80.176 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -25.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -462.157734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.157734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.157734 (E_RNA) where: Base-Base interactions energy: -156.934 where: short stacking energy: -123.939 Base-Backbone interact. energy: 3.427 local terms energy: -308.649769 where: bonds (distance) C4'-P energy: -103.335 bonds (distance) P-C4' energy: -92.608 flat angles C4'-P-C4' energy: -69.536 flat angles P-C4'-P energy: -51.444 tors. eta vs tors. theta energy: 8.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1954.720758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.720758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.720758 (E_RNA) where: Base-Base interactions energy: -1346.486 where: short stacking energy: -559.237 Base-Backbone interact. energy: -2.034 local terms energy: -606.200386 where: bonds (distance) C4'-P energy: -105.964 bonds (distance) P-C4' energy: -112.720 flat angles C4'-P-C4' energy: -129.243 flat angles P-C4'-P energy: -84.325 tors. eta vs tors. theta energy: -173.948 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: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1851.018373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.018373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.018373 (E_RNA) where: Base-Base interactions energy: -1279.766 where: short stacking energy: -548.088 Base-Backbone interact. energy: 1.488 local terms energy: -572.740499 where: bonds (distance) C4'-P energy: -102.420 bonds (distance) P-C4' energy: -116.077 flat angles C4'-P-C4' energy: -121.123 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: -159.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1718.008310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.008310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.008310 (E_RNA) where: Base-Base interactions energy: -1164.791 where: short stacking energy: -528.457 Base-Backbone interact. energy: 2.195 local terms energy: -555.412034 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -105.424 flat angles C4'-P-C4' energy: -122.966 flat angles P-C4'-P energy: -82.900 tors. eta vs tors. theta energy: -146.889 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: 9 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1653.185870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.185870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.185870 (E_RNA) where: Base-Base interactions energy: -1109.368 where: short stacking energy: -475.880 Base-Backbone interact. energy: -2.663 local terms energy: -541.154891 where: bonds (distance) C4'-P energy: -97.785 bonds (distance) P-C4' energy: -122.247 flat angles C4'-P-C4' energy: -120.164 flat angles P-C4'-P energy: -76.332 tors. eta vs tors. theta energy: -124.626 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: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1560.750738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.750738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.750738 (E_RNA) where: Base-Base interactions energy: -1028.974 where: short stacking energy: -490.192 Base-Backbone interact. energy: -1.176 local terms energy: -530.601388 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -96.168 flat angles C4'-P-C4' energy: -116.453 flat angles P-C4'-P energy: -78.323 tors. eta vs tors. theta energy: -133.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1275.184647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.184647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.184647 (E_RNA) where: Base-Base interactions energy: -816.665 where: short stacking energy: -360.159 Base-Backbone interact. energy: -2.813 local terms energy: -455.706917 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -106.695 flat angles C4'-P-C4' energy: -107.174 flat angles P-C4'-P energy: -61.640 tors. eta vs tors. theta energy: -87.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1287.920354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.920354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.920354 (E_RNA) where: Base-Base interactions energy: -810.793 where: short stacking energy: -388.581 Base-Backbone interact. energy: -1.996 local terms energy: -475.131607 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -107.575 flat angles C4'-P-C4' energy: -109.581 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -88.830 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: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1066.487606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.487606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.487606 (E_RNA) where: Base-Base interactions energy: -656.342 where: short stacking energy: -320.555 Base-Backbone interact. energy: -2.233 local terms energy: -407.912266 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -90.584 flat angles C4'-P-C4' energy: -98.080 flat angles P-C4'-P energy: -72.827 tors. eta vs tors. theta energy: -53.466 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: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -889.016016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.016016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.016016 (E_RNA) where: Base-Base interactions energy: -543.634 where: short stacking energy: -266.028 Base-Backbone interact. energy: -3.112 local terms energy: -342.269649 where: bonds (distance) C4'-P energy: -95.389 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -74.416 flat angles P-C4'-P energy: -66.065 tors. eta vs tors. theta energy: -19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -446.886199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.886199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.886199 (E_RNA) where: Base-Base interactions energy: -156.944 where: short stacking energy: -128.077 Base-Backbone interact. energy: 3.277 local terms energy: -293.219637 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -99.182 flat angles C4'-P-C4' energy: -73.582 flat angles P-C4'-P energy: -50.467 tors. eta vs tors. theta energy: 20.451 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: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1992.156287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.156287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.156287 (E_RNA) where: Base-Base interactions energy: -1357.971 where: short stacking energy: -591.072 Base-Backbone interact. energy: -2.743 local terms energy: -631.442064 where: bonds (distance) C4'-P energy: -121.908 bonds (distance) P-C4' energy: -125.520 flat angles C4'-P-C4' energy: -133.685 flat angles P-C4'-P energy: -68.370 tors. eta vs tors. theta energy: -181.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1811.939125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.939125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.939125 (E_RNA) where: Base-Base interactions energy: -1233.150 where: short stacking energy: -546.997 Base-Backbone interact. energy: -0.462 local terms energy: -578.327634 where: bonds (distance) C4'-P energy: -108.573 bonds (distance) P-C4' energy: -105.002 flat angles C4'-P-C4' energy: -121.942 flat angles P-C4'-P energy: -79.395 tors. eta vs tors. theta energy: -163.416 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: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1767.808754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.808754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.808754 (E_RNA) where: Base-Base interactions energy: -1206.466 where: short stacking energy: -522.641 Base-Backbone interact. energy: -2.163 local terms energy: -559.179161 where: bonds (distance) C4'-P energy: -92.069 bonds (distance) P-C4' energy: -111.358 flat angles C4'-P-C4' energy: -128.697 flat angles P-C4'-P energy: -77.585 tors. eta vs tors. theta energy: -149.471 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: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1709.501105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.501105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.501105 (E_RNA) where: Base-Base interactions energy: -1149.574 where: short stacking energy: -502.452 Base-Backbone interact. energy: -3.873 local terms energy: -556.054400 where: bonds (distance) C4'-P energy: -99.202 bonds (distance) P-C4' energy: -111.891 flat angles C4'-P-C4' energy: -129.367 flat angles P-C4'-P energy: -76.729 tors. eta vs tors. theta energy: -138.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1555.438436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.438436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.438436 (E_RNA) where: Base-Base interactions energy: -1031.472 where: short stacking energy: -455.692 Base-Backbone interact. energy: -0.494 local terms energy: -523.472084 where: bonds (distance) C4'-P energy: -102.950 bonds (distance) P-C4' energy: -103.524 flat angles C4'-P-C4' energy: -119.725 flat angles P-C4'-P energy: -73.115 tors. eta vs tors. theta energy: -124.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1299.520620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.520620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.520620 (E_RNA) where: Base-Base interactions energy: -855.863 where: short stacking energy: -371.665 Base-Backbone interact. energy: -2.825 local terms energy: -440.833126 where: bonds (distance) C4'-P energy: -91.808 bonds (distance) P-C4' energy: -95.178 flat angles C4'-P-C4' energy: -101.791 flat angles P-C4'-P energy: -68.757 tors. eta vs tors. theta energy: -83.299 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: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1311.200950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.200950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.200950 (E_RNA) where: Base-Base interactions energy: -844.191 where: short stacking energy: -370.353 Base-Backbone interact. energy: -0.473 local terms energy: -466.537209 where: bonds (distance) C4'-P energy: -93.870 bonds (distance) P-C4' energy: -96.887 flat angles C4'-P-C4' energy: -115.597 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -103.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1080.793405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.793405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.793405 (E_RNA) where: Base-Base interactions energy: -670.544 where: short stacking energy: -312.535 Base-Backbone interact. energy: -1.790 local terms energy: -408.459696 where: bonds (distance) C4'-P energy: -100.374 bonds (distance) P-C4' energy: -91.935 flat angles C4'-P-C4' energy: -96.934 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: -57.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -870.028844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.028844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.028844 (E_RNA) where: Base-Base interactions energy: -528.552 where: short stacking energy: -267.948 Base-Backbone interact. energy: -1.884 local terms energy: -339.592868 where: bonds (distance) C4'-P energy: -100.263 bonds (distance) P-C4' energy: -100.508 flat angles C4'-P-C4' energy: -64.317 flat angles P-C4'-P energy: -34.569 tors. eta vs tors. theta energy: -39.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -483.439115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.439115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.439115 (E_RNA) where: Base-Base interactions energy: -182.742 where: short stacking energy: -140.242 Base-Backbone interact. energy: 3.770 local terms energy: -304.467428 where: bonds (distance) C4'-P energy: -104.766 bonds (distance) P-C4' energy: -94.338 flat angles C4'-P-C4' energy: -76.954 flat angles P-C4'-P energy: -56.032 tors. eta vs tors. theta energy: 27.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1977.358577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.358577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.358577 (E_RNA) where: Base-Base interactions energy: -1366.347 where: short stacking energy: -595.213 Base-Backbone interact. energy: -4.613 local terms energy: -606.398920 where: bonds (distance) C4'-P energy: -125.649 bonds (distance) P-C4' energy: -114.211 flat angles C4'-P-C4' energy: -131.676 flat angles P-C4'-P energy: -72.288 tors. eta vs tors. theta energy: -162.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1838.564538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.564538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.564538 (E_RNA) where: Base-Base interactions energy: -1265.006 where: short stacking energy: -515.693 Base-Backbone interact. energy: -1.202 local terms energy: -572.356487 where: bonds (distance) C4'-P energy: -122.560 bonds (distance) P-C4' energy: -109.374 flat angles C4'-P-C4' energy: -108.370 flat angles P-C4'-P energy: -85.974 tors. eta vs tors. theta energy: -146.078 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: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1758.116454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.116454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.116454 (E_RNA) where: Base-Base interactions energy: -1200.485 where: short stacking energy: -522.106 Base-Backbone interact. energy: -3.997 local terms energy: -553.634820 where: bonds (distance) C4'-P energy: -100.729 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -126.146 flat angles P-C4'-P energy: -65.493 tors. eta vs tors. theta energy: -155.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1658.465741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.465741 (E_RNA) where: Base-Base interactions energy: -1116.267 where: short stacking energy: -503.042 Base-Backbone interact. energy: 2.410 local terms energy: -544.607903 where: bonds (distance) C4'-P energy: -98.267 bonds (distance) P-C4' energy: -113.946 flat angles C4'-P-C4' energy: -124.717 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: -136.241 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: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1595.739953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.739953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.739953 (E_RNA) where: Base-Base interactions energy: -1061.866 where: short stacking energy: -475.264 Base-Backbone interact. energy: 0.327 local terms energy: -534.200046 where: bonds (distance) C4'-P energy: -102.521 bonds (distance) P-C4' energy: -120.145 flat angles C4'-P-C4' energy: -112.654 flat angles P-C4'-P energy: -66.011 tors. eta vs tors. theta energy: -132.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1410.384931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.384931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.384931 (E_RNA) where: Base-Base interactions energy: -939.567 where: short stacking energy: -391.307 Base-Backbone interact. energy: -3.341 local terms energy: -467.476917 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -102.799 flat angles C4'-P-C4' energy: -103.178 flat angles P-C4'-P energy: -65.522 tors. eta vs tors. theta energy: -91.622 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: 173 Temperature: 1.200000 Total energy: -1198.387176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.387176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.387176 (E_RNA) where: Base-Base interactions energy: -754.994 where: short stacking energy: -327.676 Base-Backbone interact. energy: -1.890 local terms energy: -441.502625 where: bonds (distance) C4'-P energy: -81.475 bonds (distance) P-C4' energy: -107.640 flat angles C4'-P-C4' energy: -111.051 flat angles P-C4'-P energy: -68.430 tors. eta vs tors. theta energy: -72.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1083.094229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.094229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.094229 (E_RNA) where: Base-Base interactions energy: -686.977 where: short stacking energy: -320.080 Base-Backbone interact. energy: -1.398 local terms energy: -394.719560 where: bonds (distance) C4'-P energy: -78.621 bonds (distance) P-C4' energy: -102.217 flat angles C4'-P-C4' energy: -112.141 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -46.494 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: 173 Temperature: 1.300000 Total energy: -917.008784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.008784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.008784 (E_RNA) where: Base-Base interactions energy: -533.623 where: short stacking energy: -270.808 Base-Backbone interact. energy: -1.561 local terms energy: -381.824744 where: bonds (distance) C4'-P energy: -93.294 bonds (distance) P-C4' energy: -105.693 flat angles C4'-P-C4' energy: -77.540 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -63.862 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: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -457.040930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.040930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.040930 (E_RNA) where: Base-Base interactions energy: -170.838 where: short stacking energy: -118.183 Base-Backbone interact. energy: 5.614 local terms energy: -291.816963 where: bonds (distance) C4'-P energy: -91.089 bonds (distance) P-C4' energy: -94.621 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: 15.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1884.996822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.996822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.996822 (E_RNA) where: Base-Base interactions energy: -1300.873 where: short stacking energy: -521.827 Base-Backbone interact. energy: -0.835 local terms energy: -583.288160 where: bonds (distance) C4'-P energy: -105.353 bonds (distance) P-C4' energy: -113.245 flat angles C4'-P-C4' energy: -129.496 flat angles P-C4'-P energy: -90.190 tors. eta vs tors. theta energy: -145.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1912.483077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.483077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.483077 (E_RNA) where: Base-Base interactions energy: -1295.568 where: short stacking energy: -573.163 Base-Backbone interact. energy: -2.126 local terms energy: -614.789457 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -108.608 flat angles C4'-P-C4' energy: -142.650 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -172.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1748.782267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.782267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.782267 (E_RNA) where: Base-Base interactions energy: -1172.897 where: short stacking energy: -499.897 Base-Backbone interact. energy: 0.846 local terms energy: -576.731180 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -121.508 flat angles C4'-P-C4' energy: -129.196 flat angles P-C4'-P energy: -78.786 tors. eta vs tors. theta energy: -148.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1666.944494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.944494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.944494 (E_RNA) where: Base-Base interactions energy: -1118.021 where: short stacking energy: -495.183 Base-Backbone interact. energy: -0.812 local terms energy: -548.111836 where: bonds (distance) C4'-P energy: -107.942 bonds (distance) P-C4' energy: -111.945 flat angles C4'-P-C4' energy: -112.019 flat angles P-C4'-P energy: -83.295 tors. eta vs tors. theta energy: -132.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1519.938519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.938519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.938519 (E_RNA) where: Base-Base interactions energy: -1006.358 where: short stacking energy: -457.555 Base-Backbone interact. energy: -1.679 local terms energy: -511.900752 where: bonds (distance) C4'-P energy: -99.609 bonds (distance) P-C4' energy: -103.303 flat angles C4'-P-C4' energy: -109.319 flat angles P-C4'-P energy: -74.651 tors. eta vs tors. theta energy: -125.019 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: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1355.809445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.809445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.809445 (E_RNA) where: Base-Base interactions energy: -911.278 where: short stacking energy: -397.531 Base-Backbone interact. energy: 0.335 local terms energy: -444.866399 where: bonds (distance) C4'-P energy: -106.966 bonds (distance) P-C4' energy: -100.400 flat angles C4'-P-C4' energy: -85.662 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -93.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1233.449630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.449630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.449630 (E_RNA) where: Base-Base interactions energy: -800.693 where: short stacking energy: -345.935 Base-Backbone interact. energy: -0.720 local terms energy: -432.037042 where: bonds (distance) C4'-P energy: -103.400 bonds (distance) P-C4' energy: -94.801 flat angles C4'-P-C4' energy: -102.877 flat angles P-C4'-P energy: -58.992 tors. eta vs tors. theta energy: -71.968 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: 174 Temperature: 1.250000 Total energy: -1015.552466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.552466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.552466 (E_RNA) where: Base-Base interactions energy: -612.403 where: short stacking energy: -288.156 Base-Backbone interact. energy: -1.838 local terms energy: -401.310777 where: bonds (distance) C4'-P energy: -106.489 bonds (distance) P-C4' energy: -115.641 flat angles C4'-P-C4' energy: -76.194 flat angles P-C4'-P energy: -49.962 tors. eta vs tors. theta energy: -53.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -872.046758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.046758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.046758 (E_RNA) where: Base-Base interactions energy: -519.967 where: short stacking energy: -243.399 Base-Backbone interact. energy: 2.052 local terms energy: -354.131768 where: bonds (distance) C4'-P energy: -93.440 bonds (distance) P-C4' energy: -108.709 flat angles C4'-P-C4' energy: -87.795 flat angles P-C4'-P energy: -43.769 tors. eta vs tors. theta energy: -20.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -450.783388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.783388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.783388 (E_RNA) where: Base-Base interactions energy: -170.089 where: short stacking energy: -137.952 Base-Backbone interact. energy: 4.535 local terms energy: -285.229001 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -93.272 flat angles C4'-P-C4' energy: -67.935 flat angles P-C4'-P energy: -62.188 tors. eta vs tors. theta energy: 25.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1902.401511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.401511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.401511 (E_RNA) where: Base-Base interactions energy: -1328.660 where: short stacking energy: -553.520 Base-Backbone interact. energy: -1.858 local terms energy: -571.884390 where: bonds (distance) C4'-P energy: -112.124 bonds (distance) P-C4' energy: -107.119 flat angles C4'-P-C4' energy: -130.145 flat angles P-C4'-P energy: -65.677 tors. eta vs tors. theta energy: -156.820 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: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1903.576954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.576954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.576954 (E_RNA) where: Base-Base interactions energy: -1273.006 where: short stacking energy: -545.829 Base-Backbone interact. energy: -2.921 local terms energy: -627.650492 where: bonds (distance) C4'-P energy: -116.567 bonds (distance) P-C4' energy: -124.248 flat angles C4'-P-C4' energy: -125.447 flat angles P-C4'-P energy: -90.913 tors. eta vs tors. theta energy: -170.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1735.452105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.452105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.452105 (E_RNA) where: Base-Base interactions energy: -1190.765 where: short stacking energy: -500.713 Base-Backbone interact. energy: -2.191 local terms energy: -542.496635 where: bonds (distance) C4'-P energy: -106.905 bonds (distance) P-C4' energy: -103.434 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -77.748 tors. eta vs tors. theta energy: -139.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1662.564164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.564164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.564164 (E_RNA) where: Base-Base interactions energy: -1114.543 where: short stacking energy: -518.279 Base-Backbone interact. energy: -2.101 local terms energy: -545.919255 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -101.615 flat angles C4'-P-C4' energy: -113.148 flat angles P-C4'-P energy: -84.614 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1525.299374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.299374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.299374 (E_RNA) where: Base-Base interactions energy: -989.063 where: short stacking energy: -457.966 Base-Backbone interact. energy: -2.440 local terms energy: -533.796135 where: bonds (distance) C4'-P energy: -90.810 bonds (distance) P-C4' energy: -121.105 flat angles C4'-P-C4' energy: -125.302 flat angles P-C4'-P energy: -77.079 tors. eta vs tors. theta energy: -119.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1368.768107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.768107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.768107 (E_RNA) where: Base-Base interactions energy: -912.940 where: short stacking energy: -355.994 Base-Backbone interact. energy: 3.017 local terms energy: -458.844671 where: bonds (distance) C4'-P energy: -95.853 bonds (distance) P-C4' energy: -98.204 flat angles C4'-P-C4' energy: -110.559 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -81.220 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: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1233.424995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.424995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.424995 (E_RNA) where: Base-Base interactions energy: -822.498 where: short stacking energy: -393.061 Base-Backbone interact. energy: 0.655 local terms energy: -411.582505 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -74.239 flat angles C4'-P-C4' energy: -112.447 flat angles P-C4'-P energy: -68.278 tors. eta vs tors. theta energy: -81.961 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: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1064.188766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.188766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.188766 (E_RNA) where: Base-Base interactions energy: -665.308 where: short stacking energy: -292.647 Base-Backbone interact. energy: 0.272 local terms energy: -399.152609 where: bonds (distance) C4'-P energy: -92.205 bonds (distance) P-C4' energy: -94.695 flat angles C4'-P-C4' energy: -99.333 flat angles P-C4'-P energy: -60.249 tors. eta vs tors. theta energy: -52.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -817.016912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.016912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.016912 (E_RNA) where: Base-Base interactions energy: -449.519 where: short stacking energy: -222.484 Base-Backbone interact. energy: -2.290 local terms energy: -365.207404 where: bonds (distance) C4'-P energy: -86.029 bonds (distance) P-C4' energy: -88.544 flat angles C4'-P-C4' energy: -83.186 flat angles P-C4'-P energy: -82.301 tors. eta vs tors. theta energy: -25.147 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: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -494.113286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.113286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.113286 (E_RNA) where: Base-Base interactions energy: -189.403 where: short stacking energy: -138.671 Base-Backbone interact. energy: 2.528 local terms energy: -307.238478 where: bonds (distance) C4'-P energy: -83.394 bonds (distance) P-C4' energy: -87.898 flat angles C4'-P-C4' energy: -86.446 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: 7.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1946.038788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.038788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.038788 (E_RNA) where: Base-Base interactions energy: -1307.037 where: short stacking energy: -584.659 Base-Backbone interact. energy: 0.620 local terms energy: -639.622706 where: bonds (distance) C4'-P energy: -127.157 bonds (distance) P-C4' energy: -112.663 flat angles C4'-P-C4' energy: -130.078 flat angles P-C4'-P energy: -90.789 tors. eta vs tors. theta energy: -178.935 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: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1807.795009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.795009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.795009 (E_RNA) where: Base-Base interactions energy: -1228.076 where: short stacking energy: -503.889 Base-Backbone interact. energy: 0.128 local terms energy: -579.847317 where: bonds (distance) C4'-P energy: -123.257 bonds (distance) P-C4' energy: -101.670 flat angles C4'-P-C4' energy: -128.308 flat angles P-C4'-P energy: -87.151 tors. eta vs tors. theta energy: -139.461 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: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1767.527478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.527478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.527478 (E_RNA) where: Base-Base interactions energy: -1218.556 where: short stacking energy: -505.683 Base-Backbone interact. energy: -2.123 local terms energy: -546.848238 where: bonds (distance) C4'-P energy: -105.182 bonds (distance) P-C4' energy: -117.997 flat angles C4'-P-C4' energy: -127.133 flat angles P-C4'-P energy: -64.941 tors. eta vs tors. theta energy: -131.596 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: 176 Temperature: 1.050000 Total energy: -1664.547178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.547178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.547178 (E_RNA) where: Base-Base interactions energy: -1111.761 where: short stacking energy: -517.052 Base-Backbone interact. energy: -3.216 local terms energy: -549.569833 where: bonds (distance) C4'-P energy: -111.732 bonds (distance) P-C4' energy: -109.002 flat angles C4'-P-C4' energy: -105.764 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -146.817 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: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1522.891504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.891504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.891504 (E_RNA) where: Base-Base interactions energy: -1000.603 where: short stacking energy: -441.480 Base-Backbone interact. energy: -2.560 local terms energy: -519.728344 where: bonds (distance) C4'-P energy: -99.814 bonds (distance) P-C4' energy: -104.372 flat angles C4'-P-C4' energy: -116.368 flat angles P-C4'-P energy: -82.158 tors. eta vs tors. theta energy: -117.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1386.366566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.366566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.366566 (E_RNA) where: Base-Base interactions energy: -924.751 where: short stacking energy: -408.282 Base-Backbone interact. energy: -2.554 local terms energy: -459.061404 where: bonds (distance) C4'-P energy: -87.787 bonds (distance) P-C4' energy: -119.345 flat angles C4'-P-C4' energy: -100.762 flat angles P-C4'-P energy: -51.850 tors. eta vs tors. theta energy: -99.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1241.356530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.356530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.356530 (E_RNA) where: Base-Base interactions energy: -763.298 where: short stacking energy: -335.753 Base-Backbone interact. energy: -2.454 local terms energy: -475.604665 where: bonds (distance) C4'-P energy: -106.548 bonds (distance) P-C4' energy: -108.279 flat angles C4'-P-C4' energy: -122.362 flat angles P-C4'-P energy: -61.108 tors. eta vs tors. theta energy: -77.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1115.755906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.755906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.755906 (E_RNA) where: Base-Base interactions energy: -666.699 where: short stacking energy: -313.050 Base-Backbone interact. energy: -4.476 local terms energy: -444.580608 where: bonds (distance) C4'-P energy: -111.490 bonds (distance) P-C4' energy: -117.196 flat angles C4'-P-C4' energy: -101.264 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -59.400 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: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -845.906223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.906223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.906223 (E_RNA) where: Base-Base interactions energy: -504.657 where: short stacking energy: -238.088 Base-Backbone interact. energy: -1.165 local terms energy: -340.084161 where: bonds (distance) C4'-P energy: -73.074 bonds (distance) P-C4' energy: -98.515 flat angles C4'-P-C4' energy: -83.739 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -37.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -552.766908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.766908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.766908 (E_RNA) where: Base-Base interactions energy: -261.317 where: short stacking energy: -159.155 Base-Backbone interact. energy: -0.949 local terms energy: -290.501609 where: bonds (distance) C4'-P energy: -99.990 bonds (distance) P-C4' energy: -75.708 flat angles C4'-P-C4' energy: -79.857 flat angles P-C4'-P energy: -35.097 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1960.022137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.022137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.022137 (E_RNA) where: Base-Base interactions energy: -1332.708 where: short stacking energy: -592.739 Base-Backbone interact. energy: -1.216 local terms energy: -626.097666 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -109.123 flat angles C4'-P-C4' energy: -126.775 flat angles P-C4'-P energy: -97.664 tors. eta vs tors. theta energy: -176.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1854.708675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.708675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.708675 (E_RNA) where: Base-Base interactions energy: -1279.108 where: short stacking energy: -537.300 Base-Backbone interact. energy: -2.098 local terms energy: -573.502514 where: bonds (distance) C4'-P energy: -108.170 bonds (distance) P-C4' energy: -107.023 flat angles C4'-P-C4' energy: -129.571 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: -145.789 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: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1720.447888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.447888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.447888 (E_RNA) where: Base-Base interactions energy: -1180.954 where: short stacking energy: -488.857 Base-Backbone interact. energy: -1.963 local terms energy: -537.531237 where: bonds (distance) C4'-P energy: -107.413 bonds (distance) P-C4' energy: -111.638 flat angles C4'-P-C4' energy: -132.356 flat angles P-C4'-P energy: -55.787 tors. eta vs tors. theta energy: -130.338 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: 177 Temperature: 1.050000 Total energy: -1688.153892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.153892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.153892 (E_RNA) where: Base-Base interactions energy: -1130.787 where: short stacking energy: -526.058 Base-Backbone interact. energy: -3.779 local terms energy: -553.587187 where: bonds (distance) C4'-P energy: -112.306 bonds (distance) P-C4' energy: -102.178 flat angles C4'-P-C4' energy: -114.979 flat angles P-C4'-P energy: -72.540 tors. eta vs tors. theta energy: -151.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1530.853163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.853163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.853163 (E_RNA) where: Base-Base interactions energy: -996.040 where: short stacking energy: -459.732 Base-Backbone interact. energy: -1.926 local terms energy: -532.886392 where: bonds (distance) C4'-P energy: -101.754 bonds (distance) P-C4' energy: -111.769 flat angles C4'-P-C4' energy: -110.756 flat angles P-C4'-P energy: -74.947 tors. eta vs tors. theta energy: -133.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1384.840106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.840106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.840106 (E_RNA) where: Base-Base interactions energy: -901.706 where: short stacking energy: -404.866 Base-Backbone interact. energy: -0.583 local terms energy: -482.550913 where: bonds (distance) C4'-P energy: -103.001 bonds (distance) P-C4' energy: -111.599 flat angles C4'-P-C4' energy: -103.818 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -102.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1232.001399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.001399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.001399 (E_RNA) where: Base-Base interactions energy: -791.780 where: short stacking energy: -349.736 Base-Backbone interact. energy: -1.468 local terms energy: -438.753237 where: bonds (distance) C4'-P energy: -73.479 bonds (distance) P-C4' energy: -99.237 flat angles C4'-P-C4' energy: -111.555 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -87.685 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: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1107.250754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.250754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.250754 (E_RNA) where: Base-Base interactions energy: -695.271 where: short stacking energy: -344.040 Base-Backbone interact. energy: 3.573 local terms energy: -415.553164 where: bonds (distance) C4'-P energy: -91.251 bonds (distance) P-C4' energy: -101.834 flat angles C4'-P-C4' energy: -106.981 flat angles P-C4'-P energy: -43.813 tors. eta vs tors. theta energy: -71.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -918.143633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.143633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.143633 (E_RNA) where: Base-Base interactions energy: -531.637 where: short stacking energy: -285.627 Base-Backbone interact. energy: -1.380 local terms energy: -385.126290 where: bonds (distance) C4'-P energy: -106.459 bonds (distance) P-C4' energy: -103.418 flat angles C4'-P-C4' energy: -76.960 flat angles P-C4'-P energy: -51.785 tors. eta vs tors. theta energy: -46.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -584.131569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.131569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.131569 (E_RNA) where: Base-Base interactions energy: -304.754 where: short stacking energy: -200.485 Base-Backbone interact. energy: 2.193 local terms energy: -281.570775 where: bonds (distance) C4'-P energy: -79.690 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -60.384 flat angles P-C4'-P energy: -32.069 tors. eta vs tors. theta energy: -11.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1952.145353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.145353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.145353 (E_RNA) where: Base-Base interactions energy: -1317.871 where: short stacking energy: -575.544 Base-Backbone interact. energy: 1.015 local terms energy: -635.289341 where: bonds (distance) C4'-P energy: -114.208 bonds (distance) P-C4' energy: -122.791 flat angles C4'-P-C4' energy: -138.407 flat angles P-C4'-P energy: -89.555 tors. eta vs tors. theta energy: -170.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1867.980250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.980250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.980250 (E_RNA) where: Base-Base interactions energy: -1250.413 where: short stacking energy: -546.816 Base-Backbone interact. energy: -0.992 local terms energy: -616.575278 where: bonds (distance) C4'-P energy: -113.340 bonds (distance) P-C4' energy: -120.560 flat angles C4'-P-C4' energy: -132.836 flat angles P-C4'-P energy: -89.867 tors. eta vs tors. theta energy: -159.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1763.515686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.515686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.515686 (E_RNA) where: Base-Base interactions energy: -1208.416 where: short stacking energy: -494.903 Base-Backbone interact. energy: -3.860 local terms energy: -551.240349 where: bonds (distance) C4'-P energy: -90.084 bonds (distance) P-C4' energy: -121.381 flat angles C4'-P-C4' energy: -119.533 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -142.327 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: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1705.248776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.248776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.248776 (E_RNA) where: Base-Base interactions energy: -1135.416 where: short stacking energy: -502.760 Base-Backbone interact. energy: 0.642 local terms energy: -570.473881 where: bonds (distance) C4'-P energy: -109.926 bonds (distance) P-C4' energy: -94.742 flat angles C4'-P-C4' energy: -118.862 flat angles P-C4'-P energy: -91.826 tors. eta vs tors. theta energy: -155.118 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: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1503.267348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.267348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.267348 (E_RNA) where: Base-Base interactions energy: -998.902 where: short stacking energy: -427.092 Base-Backbone interact. energy: 0.034 local terms energy: -504.399361 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -114.187 flat angles C4'-P-C4' energy: -116.104 flat angles P-C4'-P energy: -63.198 tors. eta vs tors. theta energy: -115.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1415.428007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.428007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.428007 (E_RNA) where: Base-Base interactions energy: -915.031 where: short stacking energy: -410.921 Base-Backbone interact. energy: 1.225 local terms energy: -501.622594 where: bonds (distance) C4'-P energy: -93.635 bonds (distance) P-C4' energy: -109.471 flat angles C4'-P-C4' energy: -120.295 flat angles P-C4'-P energy: -72.060 tors. eta vs tors. theta energy: -106.162 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: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1274.545183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.545183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.545183 (E_RNA) where: Base-Base interactions energy: -820.261 where: short stacking energy: -364.516 Base-Backbone interact. energy: -0.749 local terms energy: -453.534604 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -115.068 flat angles C4'-P-C4' energy: -92.787 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: -77.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1130.696996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.696996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.696996 (E_RNA) where: Base-Base interactions energy: -690.873 where: short stacking energy: -331.452 Base-Backbone interact. energy: 1.180 local terms energy: -441.003462 where: bonds (distance) C4'-P energy: -101.148 bonds (distance) P-C4' energy: -108.098 flat angles C4'-P-C4' energy: -95.461 flat angles P-C4'-P energy: -65.451 tors. eta vs tors. theta energy: -70.846 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: 178 Temperature: 1.300000 Total energy: -829.939159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.939159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.939159 (E_RNA) where: Base-Base interactions energy: -480.413 where: short stacking energy: -229.878 Base-Backbone interact. energy: -0.791 local terms energy: -348.735859 where: bonds (distance) C4'-P energy: -84.595 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -101.029 flat angles P-C4'-P energy: -54.672 tors. eta vs tors. theta energy: -9.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -541.006148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.006148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.006148 (E_RNA) where: Base-Base interactions energy: -254.184 where: short stacking energy: -168.256 Base-Backbone interact. energy: 1.132 local terms energy: -287.954471 where: bonds (distance) C4'-P energy: -78.527 bonds (distance) P-C4' energy: -93.969 flat angles C4'-P-C4' energy: -84.897 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: 19.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1948.994115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.994115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.994115 (E_RNA) where: Base-Base interactions energy: -1309.315 where: short stacking energy: -589.243 Base-Backbone interact. energy: -2.151 local terms energy: -637.527463 where: bonds (distance) C4'-P energy: -116.266 bonds (distance) P-C4' energy: -120.125 flat angles C4'-P-C4' energy: -135.710 flat angles P-C4'-P energy: -94.151 tors. eta vs tors. theta energy: -171.275 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: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1851.672062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.672062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.672062 (E_RNA) where: Base-Base interactions energy: -1271.445 where: short stacking energy: -547.028 Base-Backbone interact. energy: -2.526 local terms energy: -577.701161 where: bonds (distance) C4'-P energy: -99.173 bonds (distance) P-C4' energy: -106.936 flat angles C4'-P-C4' energy: -124.993 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -149.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1739.737442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.737442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.737442 (E_RNA) where: Base-Base interactions energy: -1185.450 where: short stacking energy: -482.723 Base-Backbone interact. energy: -4.472 local terms energy: -549.814697 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -108.510 flat angles C4'-P-C4' energy: -120.250 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -142.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1775.060657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.060657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.060657 (E_RNA) where: Base-Base interactions energy: -1201.799 where: short stacking energy: -542.038 Base-Backbone interact. energy: 0.675 local terms energy: -573.935905 where: bonds (distance) C4'-P energy: -108.354 bonds (distance) P-C4' energy: -115.073 flat angles C4'-P-C4' energy: -123.382 flat angles P-C4'-P energy: -80.552 tors. eta vs tors. theta energy: -146.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1508.507418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.507418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.507418 (E_RNA) where: Base-Base interactions energy: -983.939 where: short stacking energy: -450.502 Base-Backbone interact. energy: -2.087 local terms energy: -522.482020 where: bonds (distance) C4'-P energy: -99.116 bonds (distance) P-C4' energy: -114.196 flat angles C4'-P-C4' energy: -116.955 flat angles P-C4'-P energy: -79.276 tors. eta vs tors. theta energy: -112.939 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: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1432.370718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.370718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.370718 (E_RNA) where: Base-Base interactions energy: -936.970 where: short stacking energy: -431.791 Base-Backbone interact. energy: -1.622 local terms energy: -493.779356 where: bonds (distance) C4'-P energy: -103.230 bonds (distance) P-C4' energy: -99.013 flat angles C4'-P-C4' energy: -118.821 flat angles P-C4'-P energy: -66.725 tors. eta vs tors. theta energy: -105.990 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: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1254.168985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.168985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.168985 (E_RNA) where: Base-Base interactions energy: -800.831 where: short stacking energy: -342.060 Base-Backbone interact. energy: -2.358 local terms energy: -450.979979 where: bonds (distance) C4'-P energy: -84.675 bonds (distance) P-C4' energy: -100.478 flat angles C4'-P-C4' energy: -115.085 flat angles P-C4'-P energy: -75.143 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: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1104.154299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.154299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.154299 (E_RNA) where: Base-Base interactions energy: -690.444 where: short stacking energy: -318.772 Base-Backbone interact. energy: -2.228 local terms energy: -411.482971 where: bonds (distance) C4'-P energy: -94.008 bonds (distance) P-C4' energy: -99.104 flat angles C4'-P-C4' energy: -111.377 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -64.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -860.955760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.955760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.955760 (E_RNA) where: Base-Base interactions energy: -474.727 where: short stacking energy: -221.327 Base-Backbone interact. energy: 1.228 local terms energy: -387.456662 where: bonds (distance) C4'-P energy: -83.704 bonds (distance) P-C4' energy: -94.546 flat angles C4'-P-C4' energy: -94.578 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -40.114 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: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -529.528013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.528013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.528013 (E_RNA) where: Base-Base interactions energy: -229.138 where: short stacking energy: -141.009 Base-Backbone interact. energy: 0.229 local terms energy: -300.619787 where: bonds (distance) C4'-P energy: -83.778 bonds (distance) P-C4' energy: -91.326 flat angles C4'-P-C4' energy: -93.099 flat angles P-C4'-P energy: -37.279 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: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1983.059842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.059842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.059842 (E_RNA) where: Base-Base interactions energy: -1332.743 where: short stacking energy: -588.083 Base-Backbone interact. energy: -4.841 local terms energy: -645.475379 where: bonds (distance) C4'-P energy: -119.625 bonds (distance) P-C4' energy: -110.825 flat angles C4'-P-C4' energy: -144.046 flat angles P-C4'-P energy: -97.372 tors. eta vs tors. theta energy: -173.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1859.917610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.917610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.917610 (E_RNA) where: Base-Base interactions energy: -1258.882 where: short stacking energy: -546.365 Base-Backbone interact. energy: -0.143 local terms energy: -600.893266 where: bonds (distance) C4'-P energy: -111.548 bonds (distance) P-C4' energy: -110.590 flat angles C4'-P-C4' energy: -130.454 flat angles P-C4'-P energy: -82.297 tors. eta vs tors. theta energy: -166.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1760.441628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.441628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.441628 (E_RNA) where: Base-Base interactions energy: -1192.717 where: short stacking energy: -521.192 Base-Backbone interact. energy: -1.766 local terms energy: -565.958091 where: bonds (distance) C4'-P energy: -108.365 bonds (distance) P-C4' energy: -102.546 flat angles C4'-P-C4' energy: -130.217 flat angles P-C4'-P energy: -77.904 tors. eta vs tors. theta energy: -146.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1747.774697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.774697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.774697 (E_RNA) where: Base-Base interactions energy: -1170.312 where: short stacking energy: -514.434 Base-Backbone interact. energy: -1.118 local terms energy: -576.344333 where: bonds (distance) C4'-P energy: -104.533 bonds (distance) P-C4' energy: -118.223 flat angles C4'-P-C4' energy: -122.729 flat angles P-C4'-P energy: -81.451 tors. eta vs tors. theta energy: -149.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1509.097623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.097623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.097623 (E_RNA) where: Base-Base interactions energy: -986.896 where: short stacking energy: -457.603 Base-Backbone interact. energy: -0.128 local terms energy: -522.073719 where: bonds (distance) C4'-P energy: -103.499 bonds (distance) P-C4' energy: -103.719 flat angles C4'-P-C4' energy: -130.565 flat angles P-C4'-P energy: -69.413 tors. eta vs tors. theta energy: -114.879 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: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1471.920619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.920619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.920619 (E_RNA) where: Base-Base interactions energy: -964.311 where: short stacking energy: -430.144 Base-Backbone interact. energy: 2.868 local terms energy: -510.477490 where: bonds (distance) C4'-P energy: -108.328 bonds (distance) P-C4' energy: -100.768 flat angles C4'-P-C4' energy: -107.684 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -136.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1198.496533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.496533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.496533 (E_RNA) where: Base-Base interactions energy: -784.086 where: short stacking energy: -321.578 Base-Backbone interact. energy: 4.824 local terms energy: -419.234660 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -102.862 flat angles C4'-P-C4' energy: -103.639 flat angles P-C4'-P energy: -55.274 tors. eta vs tors. theta energy: -61.438 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: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1128.201693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.201693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.201693 (E_RNA) where: Base-Base interactions energy: -727.032 where: short stacking energy: -325.939 Base-Backbone interact. energy: -1.529 local terms energy: -399.640404 where: bonds (distance) C4'-P energy: -97.377 bonds (distance) P-C4' energy: -99.809 flat angles C4'-P-C4' energy: -85.046 flat angles P-C4'-P energy: -58.218 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: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -841.856839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.856839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.856839 (E_RNA) where: Base-Base interactions energy: -468.169 where: short stacking energy: -217.480 Base-Backbone interact. energy: 2.562 local terms energy: -376.249570 where: bonds (distance) C4'-P energy: -97.542 bonds (distance) P-C4' energy: -95.950 flat angles C4'-P-C4' energy: -88.939 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -37.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -508.768991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.768991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.768991 (E_RNA) where: Base-Base interactions energy: -225.524 where: short stacking energy: -160.266 Base-Backbone interact. energy: -1.287 local terms energy: -281.957918 where: bonds (distance) C4'-P energy: -89.723 bonds (distance) P-C4' energy: -101.297 flat angles C4'-P-C4' energy: -66.405 flat angles P-C4'-P energy: -33.886 tors. eta vs tors. theta energy: 9.353 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1950.225563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.225563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.225563 (E_RNA) where: Base-Base interactions energy: -1341.819 where: short stacking energy: -578.693 Base-Backbone interact. energy: -1.388 local terms energy: -607.018148 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -104.849 flat angles C4'-P-C4' energy: -127.587 flat angles P-C4'-P energy: -94.336 tors. eta vs tors. theta energy: -170.212 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: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1818.264948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.264948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.264948 (E_RNA) where: Base-Base interactions energy: -1248.013 where: short stacking energy: -521.411 Base-Backbone interact. energy: -0.983 local terms energy: -569.268406 where: bonds (distance) C4'-P energy: -112.726 bonds (distance) P-C4' energy: -97.630 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -82.232 tors. eta vs tors. theta energy: -155.694 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: 181 Temperature: 1.000000 Total energy: -1725.504467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.504467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.504467 (E_RNA) where: Base-Base interactions energy: -1160.998 where: short stacking energy: -515.973 Base-Backbone interact. energy: -2.111 local terms energy: -562.394840 where: bonds (distance) C4'-P energy: -113.120 bonds (distance) P-C4' energy: -105.730 flat angles C4'-P-C4' energy: -123.649 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: -149.483 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: 181 Temperature: 1.050000 Total energy: -1765.272882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.272882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.272882 (E_RNA) where: Base-Base interactions energy: -1200.052 where: short stacking energy: -527.335 Base-Backbone interact. energy: -4.174 local terms energy: -561.047536 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -102.569 flat angles C4'-P-C4' energy: -129.609 flat angles P-C4'-P energy: -80.642 tors. eta vs tors. theta energy: -145.415 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: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1487.832157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.832157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.832157 (E_RNA) where: Base-Base interactions energy: -965.477 where: short stacking energy: -462.075 Base-Backbone interact. energy: 0.930 local terms energy: -523.284575 where: bonds (distance) C4'-P energy: -106.019 bonds (distance) P-C4' energy: -90.378 flat angles C4'-P-C4' energy: -123.201 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -143.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1476.676932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.676932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.676932 (E_RNA) where: Base-Base interactions energy: -972.873 where: short stacking energy: -442.863 Base-Backbone interact. energy: 0.666 local terms energy: -504.469924 where: bonds (distance) C4'-P energy: -113.404 bonds (distance) P-C4' energy: -94.940 flat angles C4'-P-C4' energy: -111.191 flat angles P-C4'-P energy: -77.643 tors. eta vs tors. theta energy: -107.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1226.100948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.100948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.100948 (E_RNA) where: Base-Base interactions energy: -783.952 where: short stacking energy: -341.813 Base-Backbone interact. energy: -1.232 local terms energy: -440.917318 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -92.311 flat angles C4'-P-C4' energy: -90.784 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -86.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1058.534613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.534613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.534613 (E_RNA) where: Base-Base interactions energy: -644.765 where: short stacking energy: -291.976 Base-Backbone interact. energy: 1.736 local terms energy: -415.505553 where: bonds (distance) C4'-P energy: -99.590 bonds (distance) P-C4' energy: -109.113 flat angles C4'-P-C4' energy: -81.455 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -76.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -854.035499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.035499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.035499 (E_RNA) where: Base-Base interactions energy: -506.955 where: short stacking energy: -248.763 Base-Backbone interact. energy: 10.790 local terms energy: -357.869742 where: bonds (distance) C4'-P energy: -81.637 bonds (distance) P-C4' energy: -97.719 flat angles C4'-P-C4' energy: -94.887 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -29.654 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: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -530.247845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.247845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.247845 (E_RNA) where: Base-Base interactions energy: -210.386 where: short stacking energy: -153.268 Base-Backbone interact. energy: -1.368 local terms energy: -318.494555 where: bonds (distance) C4'-P energy: -84.777 bonds (distance) P-C4' energy: -95.215 flat angles C4'-P-C4' energy: -65.037 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -6.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1961.639208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.639208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.639208 (E_RNA) where: Base-Base interactions energy: -1336.194 where: short stacking energy: -605.130 Base-Backbone interact. energy: -3.095 local terms energy: -622.350696 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -126.305 flat angles C4'-P-C4' energy: -135.267 flat angles P-C4'-P energy: -86.840 tors. eta vs tors. theta energy: -176.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1832.394362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.394362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.394362 (E_RNA) where: Base-Base interactions energy: -1282.700 where: short stacking energy: -531.044 Base-Backbone interact. energy: -0.883 local terms energy: -548.810982 where: bonds (distance) C4'-P energy: -103.324 bonds (distance) P-C4' energy: -115.131 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -77.946 tors. eta vs tors. theta energy: -142.426 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: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1803.729304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.729304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.729304 (E_RNA) where: Base-Base interactions energy: -1200.533 where: short stacking energy: -535.486 Base-Backbone interact. energy: -5.258 local terms energy: -597.938251 where: bonds (distance) C4'-P energy: -113.333 bonds (distance) P-C4' energy: -119.320 flat angles C4'-P-C4' energy: -127.725 flat angles P-C4'-P energy: -81.184 tors. eta vs tors. theta energy: -156.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1689.377102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.377102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.377102 (E_RNA) where: Base-Base interactions energy: -1142.997 where: short stacking energy: -487.470 Base-Backbone interact. energy: -0.284 local terms energy: -546.096915 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -110.672 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -87.700 tors. eta vs tors. theta energy: -129.331 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: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1520.031638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.031638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.031638 (E_RNA) where: Base-Base interactions energy: -991.345 where: short stacking energy: -472.931 Base-Backbone interact. energy: -1.780 local terms energy: -526.907238 where: bonds (distance) C4'-P energy: -108.676 bonds (distance) P-C4' energy: -111.930 flat angles C4'-P-C4' energy: -108.898 flat angles P-C4'-P energy: -69.052 tors. eta vs tors. theta energy: -128.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1477.716401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.716401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.716401 (E_RNA) where: Base-Base interactions energy: -978.520 where: short stacking energy: -443.531 Base-Backbone interact. energy: -1.485 local terms energy: -497.711223 where: bonds (distance) C4'-P energy: -98.044 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -108.887 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -111.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1241.027676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.027676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.027676 (E_RNA) where: Base-Base interactions energy: -800.743 where: short stacking energy: -358.991 Base-Backbone interact. energy: -0.420 local terms energy: -439.864815 where: bonds (distance) C4'-P energy: -94.760 bonds (distance) P-C4' energy: -102.523 flat angles C4'-P-C4' energy: -115.744 flat angles P-C4'-P energy: -57.447 tors. eta vs tors. theta energy: -69.391 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: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1034.059846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.059846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.059846 (E_RNA) where: Base-Base interactions energy: -629.784 where: short stacking energy: -306.856 Base-Backbone interact. energy: 0.165 local terms energy: -404.441271 where: bonds (distance) C4'-P energy: -91.782 bonds (distance) P-C4' energy: -95.577 flat angles C4'-P-C4' energy: -89.787 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -57.752 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: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -841.613223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.613223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.613223 (E_RNA) where: Base-Base interactions energy: -482.786 where: short stacking energy: -226.728 Base-Backbone interact. energy: -0.609 local terms energy: -358.218216 where: bonds (distance) C4'-P energy: -92.456 bonds (distance) P-C4' energy: -106.300 flat angles C4'-P-C4' energy: -88.303 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -18.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -509.732966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.732966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.732966 (E_RNA) where: Base-Base interactions energy: -205.910 where: short stacking energy: -131.969 Base-Backbone interact. energy: -2.501 local terms energy: -301.321222 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -98.388 flat angles C4'-P-C4' energy: -98.618 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: 21.657 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: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1936.120007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.120007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.120007 (E_RNA) where: Base-Base interactions energy: -1318.240 where: short stacking energy: -563.779 Base-Backbone interact. energy: -2.339 local terms energy: -615.541438 where: bonds (distance) C4'-P energy: -116.466 bonds (distance) P-C4' energy: -112.377 flat angles C4'-P-C4' energy: -137.561 flat angles P-C4'-P energy: -84.648 tors. eta vs tors. theta energy: -164.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1836.422932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.422932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.422932 (E_RNA) where: Base-Base interactions energy: -1259.121 where: short stacking energy: -532.844 Base-Backbone interact. energy: -0.053 local terms energy: -577.249122 where: bonds (distance) C4'-P energy: -100.948 bonds (distance) P-C4' energy: -117.125 flat angles C4'-P-C4' energy: -129.360 flat angles P-C4'-P energy: -77.193 tors. eta vs tors. theta energy: -152.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1776.854394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.854394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.854394 (E_RNA) where: Base-Base interactions energy: -1199.902 where: short stacking energy: -515.123 Base-Backbone interact. energy: 2.140 local terms energy: -579.092069 where: bonds (distance) C4'-P energy: -110.800 bonds (distance) P-C4' energy: -123.871 flat angles C4'-P-C4' energy: -114.831 flat angles P-C4'-P energy: -82.416 tors. eta vs tors. theta energy: -147.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1675.552805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.552805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.552805 (E_RNA) where: Base-Base interactions energy: -1131.594 where: short stacking energy: -466.988 Base-Backbone interact. energy: -0.065 local terms energy: -543.893566 where: bonds (distance) C4'-P energy: -106.895 bonds (distance) P-C4' energy: -119.256 flat angles C4'-P-C4' energy: -115.115 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -133.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1508.819274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.819274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.819274 (E_RNA) where: Base-Base interactions energy: -996.122 where: short stacking energy: -470.258 Base-Backbone interact. energy: 1.588 local terms energy: -514.284706 where: bonds (distance) C4'-P energy: -100.720 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -119.217 flat angles P-C4'-P energy: -75.072 tors. eta vs tors. theta energy: -126.390 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: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1471.069291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.069291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.069291 (E_RNA) where: Base-Base interactions energy: -962.541 where: short stacking energy: -422.107 Base-Backbone interact. energy: -3.467 local terms energy: -505.061082 where: bonds (distance) C4'-P energy: -97.466 bonds (distance) P-C4' energy: -110.232 flat angles C4'-P-C4' energy: -118.681 flat angles P-C4'-P energy: -71.239 tors. eta vs tors. theta energy: -107.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1193.114625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.114625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.114625 (E_RNA) where: Base-Base interactions energy: -771.835 where: short stacking energy: -354.876 Base-Backbone interact. energy: -0.739 local terms energy: -420.540092 where: bonds (distance) C4'-P energy: -98.921 bonds (distance) P-C4' energy: -103.217 flat angles C4'-P-C4' energy: -92.164 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -68.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1037.331620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.331620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.331620 (E_RNA) where: Base-Base interactions energy: -657.539 where: short stacking energy: -306.227 Base-Backbone interact. energy: 0.441 local terms energy: -380.233194 where: bonds (distance) C4'-P energy: -82.723 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -97.565 flat angles P-C4'-P energy: -53.051 tors. eta vs tors. theta energy: -50.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -874.938221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.938221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.938221 (E_RNA) where: Base-Base interactions energy: -505.921 where: short stacking energy: -242.843 Base-Backbone interact. energy: 1.355 local terms energy: -370.371810 where: bonds (distance) C4'-P energy: -90.297 bonds (distance) P-C4' energy: -105.094 flat angles C4'-P-C4' energy: -92.974 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -41.070 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: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -482.355423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.355423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.355423 (E_RNA) where: Base-Base interactions energy: -191.808 where: short stacking energy: -164.637 Base-Backbone interact. energy: -1.971 local terms energy: -288.575787 where: bonds (distance) C4'-P energy: -83.891 bonds (distance) P-C4' energy: -91.174 flat angles C4'-P-C4' energy: -77.598 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1954.859085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.859085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.859085 (E_RNA) where: Base-Base interactions energy: -1315.823 where: short stacking energy: -564.319 Base-Backbone interact. energy: 0.518 local terms energy: -639.554156 where: bonds (distance) C4'-P energy: -132.198 bonds (distance) P-C4' energy: -122.027 flat angles C4'-P-C4' energy: -127.791 flat angles P-C4'-P energy: -88.164 tors. eta vs tors. theta energy: -169.375 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: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1806.034724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.034724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.034724 (E_RNA) where: Base-Base interactions energy: -1208.098 where: short stacking energy: -515.631 Base-Backbone interact. energy: -2.628 local terms energy: -595.308889 where: bonds (distance) C4'-P energy: -115.486 bonds (distance) P-C4' energy: -118.387 flat angles C4'-P-C4' energy: -129.160 flat angles P-C4'-P energy: -89.848 tors. eta vs tors. theta energy: -142.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1780.566628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.566628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.566628 (E_RNA) where: Base-Base interactions energy: -1209.654 where: short stacking energy: -526.271 Base-Backbone interact. energy: 2.597 local terms energy: -573.509463 where: bonds (distance) C4'-P energy: -120.711 bonds (distance) P-C4' energy: -105.970 flat angles C4'-P-C4' energy: -125.394 flat angles P-C4'-P energy: -69.538 tors. eta vs tors. theta energy: -151.896 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: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1651.728291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.728291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.728291 (E_RNA) where: Base-Base interactions energy: -1144.217 where: short stacking energy: -494.725 Base-Backbone interact. energy: -2.721 local terms energy: -504.790555 where: bonds (distance) C4'-P energy: -98.259 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -122.193 flat angles P-C4'-P energy: -64.375 tors. eta vs tors. theta energy: -128.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1565.893282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.893282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.893282 (E_RNA) where: Base-Base interactions energy: -1013.010 where: short stacking energy: -483.713 Base-Backbone interact. energy: 0.458 local terms energy: -553.340883 where: bonds (distance) C4'-P energy: -112.530 bonds (distance) P-C4' energy: -124.156 flat angles C4'-P-C4' energy: -123.205 flat angles P-C4'-P energy: -66.023 tors. eta vs tors. theta energy: -127.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1467.501420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.501420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.501420 (E_RNA) where: Base-Base interactions energy: -966.501 where: short stacking energy: -415.927 Base-Backbone interact. energy: 3.706 local terms energy: -504.706245 where: bonds (distance) C4'-P energy: -96.113 bonds (distance) P-C4' energy: -108.690 flat angles C4'-P-C4' energy: -115.862 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -105.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1235.562775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.562775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.562775 (E_RNA) where: Base-Base interactions energy: -781.563 where: short stacking energy: -327.458 Base-Backbone interact. energy: -1.023 local terms energy: -452.977426 where: bonds (distance) C4'-P energy: -105.657 bonds (distance) P-C4' energy: -107.626 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -65.090 tors. eta vs tors. theta energy: -75.843 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: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1041.040726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.040726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.040726 (E_RNA) where: Base-Base interactions energy: -637.621 where: short stacking energy: -298.879 Base-Backbone interact. energy: -1.662 local terms energy: -401.757490 where: bonds (distance) C4'-P energy: -92.493 bonds (distance) P-C4' energy: -82.209 flat angles C4'-P-C4' energy: -97.651 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -59.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -894.356419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.356419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.356419 (E_RNA) where: Base-Base interactions energy: -527.654 where: short stacking energy: -262.829 Base-Backbone interact. energy: 10.445 local terms energy: -377.146840 where: bonds (distance) C4'-P energy: -96.437 bonds (distance) P-C4' energy: -100.719 flat angles C4'-P-C4' energy: -82.250 flat angles P-C4'-P energy: -53.806 tors. eta vs tors. theta energy: -43.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -451.395412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.395412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.395412 (E_RNA) where: Base-Base interactions energy: -167.610 where: short stacking energy: -141.487 Base-Backbone interact. energy: 6.324 local terms energy: -290.109422 where: bonds (distance) C4'-P energy: -92.457 bonds (distance) P-C4' energy: -92.888 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -38.440 tors. eta vs tors. theta energy: 4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1953.655803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.655803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.655803 (E_RNA) where: Base-Base interactions energy: -1340.570 where: short stacking energy: -578.926 Base-Backbone interact. energy: -3.248 local terms energy: -609.838102 where: bonds (distance) C4'-P energy: -117.811 bonds (distance) P-C4' energy: -113.066 flat angles C4'-P-C4' energy: -125.849 flat angles P-C4'-P energy: -84.044 tors. eta vs tors. theta energy: -169.068 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: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1822.611666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.611666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.611666 (E_RNA) where: Base-Base interactions energy: -1260.408 where: short stacking energy: -524.292 Base-Backbone interact. energy: -2.714 local terms energy: -559.489343 where: bonds (distance) C4'-P energy: -106.818 bonds (distance) P-C4' energy: -115.232 flat angles C4'-P-C4' energy: -114.466 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -147.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1767.772361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.772361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.772361 (E_RNA) where: Base-Base interactions energy: -1189.194 where: short stacking energy: -534.244 Base-Backbone interact. energy: -3.629 local terms energy: -574.949688 where: bonds (distance) C4'-P energy: -95.197 bonds (distance) P-C4' energy: -109.132 flat angles C4'-P-C4' energy: -121.022 flat angles P-C4'-P energy: -90.184 tors. eta vs tors. theta energy: -159.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1620.583423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.583423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.583423 (E_RNA) where: Base-Base interactions energy: -1097.453 where: short stacking energy: -468.189 Base-Backbone interact. energy: -0.554 local terms energy: -522.576190 where: bonds (distance) C4'-P energy: -108.299 bonds (distance) P-C4' energy: -109.323 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -58.112 tors. eta vs tors. theta energy: -122.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1576.053429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.053429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.053429 (E_RNA) where: Base-Base interactions energy: -1020.501 where: short stacking energy: -476.321 Base-Backbone interact. energy: -2.841 local terms energy: -552.711501 where: bonds (distance) C4'-P energy: -95.245 bonds (distance) P-C4' energy: -119.808 flat angles C4'-P-C4' energy: -116.448 flat angles P-C4'-P energy: -76.962 tors. eta vs tors. theta energy: -144.248 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: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1456.328931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.328931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.328931 (E_RNA) where: Base-Base interactions energy: -961.119 where: short stacking energy: -441.249 Base-Backbone interact. energy: 1.752 local terms energy: -496.962771 where: bonds (distance) C4'-P energy: -106.413 bonds (distance) P-C4' energy: -90.316 flat angles C4'-P-C4' energy: -119.420 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -110.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1218.688082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.688082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.688082 (E_RNA) where: Base-Base interactions energy: -761.156 where: short stacking energy: -345.021 Base-Backbone interact. energy: 0.349 local terms energy: -457.881180 where: bonds (distance) C4'-P energy: -88.594 bonds (distance) P-C4' energy: -102.375 flat angles C4'-P-C4' energy: -113.656 flat angles P-C4'-P energy: -64.757 tors. eta vs tors. theta energy: -88.499 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: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1066.075574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.075574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.075574 (E_RNA) where: Base-Base interactions energy: -665.120 where: short stacking energy: -305.988 Base-Backbone interact. energy: 1.702 local terms energy: -402.657898 where: bonds (distance) C4'-P energy: -94.162 bonds (distance) P-C4' energy: -105.137 flat angles C4'-P-C4' energy: -97.386 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: -52.861 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: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -868.141760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.141760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.141760 (E_RNA) where: Base-Base interactions energy: -514.549 where: short stacking energy: -245.796 Base-Backbone interact. energy: -1.253 local terms energy: -352.339873 where: bonds (distance) C4'-P energy: -104.712 bonds (distance) P-C4' energy: -98.355 flat angles C4'-P-C4' energy: -78.659 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -27.426 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: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -475.259382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.259382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.259382 (E_RNA) where: Base-Base interactions energy: -173.883 where: short stacking energy: -139.817 Base-Backbone interact. energy: 1.775 local terms energy: -303.151711 where: bonds (distance) C4'-P energy: -78.470 bonds (distance) P-C4' energy: -112.870 flat angles C4'-P-C4' energy: -76.985 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: 4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1941.672451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.672451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.672451 (E_RNA) where: Base-Base interactions energy: -1319.603 where: short stacking energy: -573.679 Base-Backbone interact. energy: -2.162 local terms energy: -619.907680 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -128.001 flat angles C4'-P-C4' energy: -124.801 flat angles P-C4'-P energy: -86.329 tors. eta vs tors. theta energy: -168.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1816.904596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.904596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.904596 (E_RNA) where: Base-Base interactions energy: -1253.726 where: short stacking energy: -504.559 Base-Backbone interact. energy: -3.150 local terms energy: -560.029437 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -99.337 flat angles C4'-P-C4' energy: -125.388 flat angles P-C4'-P energy: -77.325 tors. eta vs tors. theta energy: -143.613 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: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1776.024933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.024933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.024933 (E_RNA) where: Base-Base interactions energy: -1199.663 where: short stacking energy: -540.693 Base-Backbone interact. energy: -4.250 local terms energy: -572.112811 where: bonds (distance) C4'-P energy: -108.574 bonds (distance) P-C4' energy: -106.795 flat angles C4'-P-C4' energy: -115.349 flat angles P-C4'-P energy: -81.174 tors. eta vs tors. theta energy: -160.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1638.720432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.720432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.720432 (E_RNA) where: Base-Base interactions energy: -1104.974 where: short stacking energy: -482.960 Base-Backbone interact. energy: -3.200 local terms energy: -530.546145 where: bonds (distance) C4'-P energy: -113.117 bonds (distance) P-C4' energy: -107.477 flat angles C4'-P-C4' energy: -116.596 flat angles P-C4'-P energy: -69.649 tors. eta vs tors. theta energy: -123.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1544.303449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.303449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.303449 (E_RNA) where: Base-Base interactions energy: -1034.461 where: short stacking energy: -486.732 Base-Backbone interact. energy: 0.399 local terms energy: -510.241535 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -105.120 flat angles C4'-P-C4' energy: -124.325 flat angles P-C4'-P energy: -57.094 tors. eta vs tors. theta energy: -130.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1492.896891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.896891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.896891 (E_RNA) where: Base-Base interactions energy: -991.929 where: short stacking energy: -438.791 Base-Backbone interact. energy: -2.170 local terms energy: -498.797236 where: bonds (distance) C4'-P energy: -113.398 bonds (distance) P-C4' energy: -92.019 flat angles C4'-P-C4' energy: -113.308 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: -120.265 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: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1180.811928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.811928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.811928 (E_RNA) where: Base-Base interactions energy: -728.596 where: short stacking energy: -321.173 Base-Backbone interact. energy: 1.875 local terms energy: -454.090818 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -98.218 flat angles C4'-P-C4' energy: -106.878 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -73.454 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: 186 Temperature: 1.250000 Total energy: -1074.129931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.129931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.129931 (E_RNA) where: Base-Base interactions energy: -661.815 where: short stacking energy: -312.224 Base-Backbone interact. energy: -1.278 local terms energy: -411.036882 where: bonds (distance) C4'-P energy: -83.491 bonds (distance) P-C4' energy: -96.043 flat angles C4'-P-C4' energy: -98.663 flat angles P-C4'-P energy: -70.121 tors. eta vs tors. theta energy: -62.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -843.126588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.126588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.126588 (E_RNA) where: Base-Base interactions energy: -469.672 where: short stacking energy: -265.936 Base-Backbone interact. energy: 4.021 local terms energy: -377.476519 where: bonds (distance) C4'-P energy: -92.432 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -87.690 flat angles P-C4'-P energy: -64.592 tors. eta vs tors. theta energy: -39.827 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: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -463.071398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.071398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.071398 (E_RNA) where: Base-Base interactions energy: -156.423 where: short stacking energy: -142.289 Base-Backbone interact. energy: 0.662 local terms energy: -307.310722 where: bonds (distance) C4'-P energy: -105.603 bonds (distance) P-C4' energy: -91.593 flat angles C4'-P-C4' energy: -82.585 flat angles P-C4'-P energy: -35.958 tors. eta vs tors. theta energy: 8.428 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: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1968.958801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.958801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.958801 (E_RNA) where: Base-Base interactions energy: -1331.646 where: short stacking energy: -605.725 Base-Backbone interact. energy: -0.909 local terms energy: -636.403537 where: bonds (distance) C4'-P energy: -112.649 bonds (distance) P-C4' energy: -127.233 flat angles C4'-P-C4' energy: -118.929 flat angles P-C4'-P energy: -97.364 tors. eta vs tors. theta energy: -180.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1834.477308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.477308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.477308 (E_RNA) where: Base-Base interactions energy: -1264.373 where: short stacking energy: -543.080 Base-Backbone interact. energy: 1.637 local terms energy: -571.740648 where: bonds (distance) C4'-P energy: -106.463 bonds (distance) P-C4' energy: -126.131 flat angles C4'-P-C4' energy: -121.906 flat angles P-C4'-P energy: -70.392 tors. eta vs tors. theta energy: -146.848 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: 187 Temperature: 1.000000 Total energy: -1728.064105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.064105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.064105 (E_RNA) where: Base-Base interactions energy: -1162.176 where: short stacking energy: -511.409 Base-Backbone interact. energy: -1.837 local terms energy: -564.050427 where: bonds (distance) C4'-P energy: -107.563 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -123.896 flat angles P-C4'-P energy: -84.081 tors. eta vs tors. theta energy: -145.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1609.571089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.571089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.571089 (E_RNA) where: Base-Base interactions energy: -1062.415 where: short stacking energy: -447.666 Base-Backbone interact. energy: -1.170 local terms energy: -545.986236 where: bonds (distance) C4'-P energy: -101.026 bonds (distance) P-C4' energy: -113.207 flat angles C4'-P-C4' energy: -121.914 flat angles P-C4'-P energy: -80.720 tors. eta vs tors. theta energy: -129.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1515.590483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.590483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.590483 (E_RNA) where: Base-Base interactions energy: -989.537 where: short stacking energy: -467.184 Base-Backbone interact. energy: -1.594 local terms energy: -524.459476 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -109.853 flat angles C4'-P-C4' energy: -121.243 flat angles P-C4'-P energy: -71.413 tors. eta vs tors. theta energy: -139.253 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: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1542.047658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.047658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.047658 (E_RNA) where: Base-Base interactions energy: -1025.206 where: short stacking energy: -448.442 Base-Backbone interact. energy: -2.083 local terms energy: -514.758986 where: bonds (distance) C4'-P energy: -106.698 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -113.273 flat angles P-C4'-P energy: -66.197 tors. eta vs tors. theta energy: -121.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1198.530538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.530538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.530538 (E_RNA) where: Base-Base interactions energy: -755.651 where: short stacking energy: -375.475 Base-Backbone interact. energy: -0.857 local terms energy: -442.022640 where: bonds (distance) C4'-P energy: -97.167 bonds (distance) P-C4' energy: -95.298 flat angles C4'-P-C4' energy: -94.110 flat angles P-C4'-P energy: -76.498 tors. eta vs tors. theta energy: -78.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1040.927987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.927987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.927987 (E_RNA) where: Base-Base interactions energy: -653.163 where: short stacking energy: -301.147 Base-Backbone interact. energy: 2.266 local terms energy: -390.030735 where: bonds (distance) C4'-P energy: -85.585 bonds (distance) P-C4' energy: -98.512 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -47.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -841.807745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.807745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.807745 (E_RNA) where: Base-Base interactions energy: -462.298 where: short stacking energy: -249.432 Base-Backbone interact. energy: -0.276 local terms energy: -379.234333 where: bonds (distance) C4'-P energy: -91.071 bonds (distance) P-C4' energy: -98.152 flat angles C4'-P-C4' energy: -86.995 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -39.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -451.954529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.954529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.954529 (E_RNA) where: Base-Base interactions energy: -168.171 where: short stacking energy: -147.518 Base-Backbone interact. energy: 2.828 local terms energy: -286.611757 where: bonds (distance) C4'-P energy: -100.222 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -81.436 flat angles P-C4'-P energy: -32.352 tors. eta vs tors. theta energy: 25.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1971.935101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.935101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.935101 (E_RNA) where: Base-Base interactions energy: -1352.552 where: short stacking energy: -609.855 Base-Backbone interact. energy: -2.258 local terms energy: -617.125015 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -110.373 flat angles C4'-P-C4' energy: -136.102 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -185.195 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: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1811.116206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.116206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.116206 (E_RNA) where: Base-Base interactions energy: -1245.287 where: short stacking energy: -551.730 Base-Backbone interact. energy: -0.085 local terms energy: -565.743850 where: bonds (distance) C4'-P energy: -102.410 bonds (distance) P-C4' energy: -118.853 flat angles C4'-P-C4' energy: -128.137 flat angles P-C4'-P energy: -72.629 tors. eta vs tors. theta energy: -143.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1774.945802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.945802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.945802 (E_RNA) where: Base-Base interactions energy: -1186.869 where: short stacking energy: -511.872 Base-Backbone interact. energy: -0.941 local terms energy: -587.136518 where: bonds (distance) C4'-P energy: -124.859 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -130.233 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: -145.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1585.794519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.794519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.794519 (E_RNA) where: Base-Base interactions energy: -1069.312 where: short stacking energy: -451.171 Base-Backbone interact. energy: -0.163 local terms energy: -516.320073 where: bonds (distance) C4'-P energy: -76.642 bonds (distance) P-C4' energy: -112.776 flat angles C4'-P-C4' energy: -117.877 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -128.063 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: 188 Temperature: 1.100000 Total energy: -1563.999373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.999373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.999373 (E_RNA) where: Base-Base interactions energy: -1026.109 where: short stacking energy: -457.871 Base-Backbone interact. energy: -3.824 local terms energy: -534.066701 where: bonds (distance) C4'-P energy: -98.224 bonds (distance) P-C4' energy: -111.287 flat angles C4'-P-C4' energy: -123.321 flat angles P-C4'-P energy: -75.786 tors. eta vs tors. theta energy: -125.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1452.391739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.391739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.391739 (E_RNA) where: Base-Base interactions energy: -955.614 where: short stacking energy: -432.405 Base-Backbone interact. energy: -0.139 local terms energy: -496.639161 where: bonds (distance) C4'-P energy: -110.954 bonds (distance) P-C4' energy: -100.547 flat angles C4'-P-C4' energy: -109.454 flat angles P-C4'-P energy: -62.370 tors. eta vs tors. theta energy: -113.313 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: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1196.455126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.455126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.455126 (E_RNA) where: Base-Base interactions energy: -752.785 where: short stacking energy: -337.715 Base-Backbone interact. energy: 0.969 local terms energy: -444.639135 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -95.595 flat angles C4'-P-C4' energy: -108.044 flat angles P-C4'-P energy: -74.403 tors. eta vs tors. theta energy: -67.987 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: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1043.587244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.587244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.587244 (E_RNA) where: Base-Base interactions energy: -647.211 where: short stacking energy: -310.597 Base-Backbone interact. energy: 3.730 local terms energy: -400.105822 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -102.325 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -52.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -823.157191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.157191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.157191 (E_RNA) where: Base-Base interactions energy: -452.985 where: short stacking energy: -233.431 Base-Backbone interact. energy: -1.798 local terms energy: -368.374447 where: bonds (distance) C4'-P energy: -108.260 bonds (distance) P-C4' energy: -95.889 flat angles C4'-P-C4' energy: -96.656 flat angles P-C4'-P energy: -40.969 tors. eta vs tors. theta energy: -26.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -487.240426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.240426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.240426 (E_RNA) where: Base-Base interactions energy: -195.926 where: short stacking energy: -149.567 Base-Backbone interact. energy: 1.288 local terms energy: -292.602995 where: bonds (distance) C4'-P energy: -99.044 bonds (distance) P-C4' energy: -81.220 flat angles C4'-P-C4' energy: -79.709 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: 6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1985.078381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.078381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.078381 (E_RNA) where: Base-Base interactions energy: -1333.182 where: short stacking energy: -607.919 Base-Backbone interact. energy: -2.346 local terms energy: -649.549683 where: bonds (distance) C4'-P energy: -117.533 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -134.924 flat angles P-C4'-P energy: -100.896 tors. eta vs tors. theta energy: -175.219 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: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1821.212791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.212791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.212791 (E_RNA) where: Base-Base interactions energy: -1232.574 where: short stacking energy: -556.401 Base-Backbone interact. energy: -4.447 local terms energy: -584.191616 where: bonds (distance) C4'-P energy: -101.385 bonds (distance) P-C4' energy: -107.674 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -86.465 tors. eta vs tors. theta energy: -154.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1741.221120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.221120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.221120 (E_RNA) where: Base-Base interactions energy: -1201.294 where: short stacking energy: -499.152 Base-Backbone interact. energy: -5.838 local terms energy: -534.089946 where: bonds (distance) C4'-P energy: -98.243 bonds (distance) P-C4' energy: -112.847 flat angles C4'-P-C4' energy: -123.398 flat angles P-C4'-P energy: -67.808 tors. eta vs tors. theta energy: -131.794 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: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1620.300749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.300749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.300749 (E_RNA) where: Base-Base interactions energy: -1097.086 where: short stacking energy: -454.492 Base-Backbone interact. energy: -2.288 local terms energy: -520.926565 where: bonds (distance) C4'-P energy: -109.677 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -107.599 flat angles P-C4'-P energy: -71.452 tors. eta vs tors. theta energy: -118.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1550.467521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.467521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.467521 (E_RNA) where: Base-Base interactions energy: -1044.356 where: short stacking energy: -481.259 Base-Backbone interact. energy: -2.260 local terms energy: -503.851655 where: bonds (distance) C4'-P energy: -90.859 bonds (distance) P-C4' energy: -93.829 flat angles C4'-P-C4' energy: -120.379 flat angles P-C4'-P energy: -64.345 tors. eta vs tors. theta energy: -134.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1463.830572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.830572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.830572 (E_RNA) where: Base-Base interactions energy: -974.036 where: short stacking energy: -449.343 Base-Backbone interact. energy: -0.146 local terms energy: -489.648039 where: bonds (distance) C4'-P energy: -105.730 bonds (distance) P-C4' energy: -115.544 flat angles C4'-P-C4' energy: -92.398 flat angles P-C4'-P energy: -66.169 tors. eta vs tors. theta energy: -109.807 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: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1182.640987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.640987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.640987 (E_RNA) where: Base-Base interactions energy: -756.254 where: short stacking energy: -358.159 Base-Backbone interact. energy: 0.906 local terms energy: -427.292982 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -108.645 flat angles C4'-P-C4' energy: -107.719 flat angles P-C4'-P energy: -56.697 tors. eta vs tors. theta energy: -64.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1076.804796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.804796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.804796 (E_RNA) where: Base-Base interactions energy: -664.526 where: short stacking energy: -306.675 Base-Backbone interact. energy: -2.296 local terms energy: -409.983052 where: bonds (distance) C4'-P energy: -93.264 bonds (distance) P-C4' energy: -95.316 flat angles C4'-P-C4' energy: -103.473 flat angles P-C4'-P energy: -52.773 tors. eta vs tors. theta energy: -65.157 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: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -852.436153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.436153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.436153 (E_RNA) where: Base-Base interactions energy: -524.687 where: short stacking energy: -247.890 Base-Backbone interact. energy: 1.944 local terms energy: -329.692267 where: bonds (distance) C4'-P energy: -81.457 bonds (distance) P-C4' energy: -93.956 flat angles C4'-P-C4' energy: -85.006 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -22.036 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: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -494.328722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.328722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.328722 (E_RNA) where: Base-Base interactions energy: -198.907 where: short stacking energy: -137.455 Base-Backbone interact. energy: -2.174 local terms energy: -293.247537 where: bonds (distance) C4'-P energy: -97.641 bonds (distance) P-C4' energy: -91.012 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -47.249 tors. eta vs tors. theta energy: 20.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1963.974878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.974878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.974878 (E_RNA) where: Base-Base interactions energy: -1335.555 where: short stacking energy: -606.453 Base-Backbone interact. energy: 0.094 local terms energy: -628.513836 where: bonds (distance) C4'-P energy: -112.284 bonds (distance) P-C4' energy: -123.331 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -78.853 tors. eta vs tors. theta energy: -180.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1849.174427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.174427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.174427 (E_RNA) where: Base-Base interactions energy: -1255.506 where: short stacking energy: -584.746 Base-Backbone interact. energy: -2.352 local terms energy: -591.317170 where: bonds (distance) C4'-P energy: -102.407 bonds (distance) P-C4' energy: -104.677 flat angles C4'-P-C4' energy: -133.029 flat angles P-C4'-P energy: -82.951 tors. eta vs tors. theta energy: -168.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1757.221683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.221683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.221683 (E_RNA) where: Base-Base interactions energy: -1186.011 where: short stacking energy: -501.591 Base-Backbone interact. energy: -1.183 local terms energy: -570.027641 where: bonds (distance) C4'-P energy: -108.634 bonds (distance) P-C4' energy: -100.502 flat angles C4'-P-C4' energy: -129.588 flat angles P-C4'-P energy: -80.689 tors. eta vs tors. theta energy: -150.615 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: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1658.061319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.061319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.061319 (E_RNA) where: Base-Base interactions energy: -1114.030 where: short stacking energy: -470.569 Base-Backbone interact. energy: 0.449 local terms energy: -544.480313 where: bonds (distance) C4'-P energy: -117.399 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -112.970 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: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1559.139976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.139976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.139976 (E_RNA) where: Base-Base interactions energy: -1046.490 where: short stacking energy: -469.663 Base-Backbone interact. energy: -0.074 local terms energy: -512.575934 where: bonds (distance) C4'-P energy: -107.517 bonds (distance) P-C4' energy: -104.052 flat angles C4'-P-C4' energy: -119.112 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -111.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1421.249729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.249729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.249729 (E_RNA) where: Base-Base interactions energy: -938.567 where: short stacking energy: -456.184 Base-Backbone interact. energy: 0.489 local terms energy: -483.171506 where: bonds (distance) C4'-P energy: -84.748 bonds (distance) P-C4' energy: -111.261 flat angles C4'-P-C4' energy: -111.331 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -110.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1185.906789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.906789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.906789 (E_RNA) where: Base-Base interactions energy: -741.402 where: short stacking energy: -340.501 Base-Backbone interact. energy: -2.311 local terms energy: -442.192909 where: bonds (distance) C4'-P energy: -112.494 bonds (distance) P-C4' energy: -93.693 flat angles C4'-P-C4' energy: -106.380 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -76.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1109.743832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.743832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.743832 (E_RNA) where: Base-Base interactions energy: -698.915 where: short stacking energy: -329.119 Base-Backbone interact. energy: 1.151 local terms energy: -411.979100 where: bonds (distance) C4'-P energy: -95.268 bonds (distance) P-C4' energy: -97.208 flat angles C4'-P-C4' energy: -78.307 flat angles P-C4'-P energy: -64.442 tors. eta vs tors. theta energy: -76.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -858.964544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.964544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.964544 (E_RNA) where: Base-Base interactions energy: -504.100 where: short stacking energy: -272.707 Base-Backbone interact. energy: -0.252 local terms energy: -354.613235 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -93.417 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -40.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -497.269412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.269412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.269412 (E_RNA) where: Base-Base interactions energy: -187.202 where: short stacking energy: -125.787 Base-Backbone interact. energy: 1.505 local terms energy: -311.572879 where: bonds (distance) C4'-P energy: -98.120 bonds (distance) P-C4' energy: -114.149 flat angles C4'-P-C4' energy: -77.812 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: 14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1953.670542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.670542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.670542 (E_RNA) where: Base-Base interactions energy: -1331.206 where: short stacking energy: -576.237 Base-Backbone interact. energy: -1.669 local terms energy: -620.795413 where: bonds (distance) C4'-P energy: -113.356 bonds (distance) P-C4' energy: -124.216 flat angles C4'-P-C4' energy: -127.665 flat angles P-C4'-P energy: -79.895 tors. eta vs tors. theta energy: -175.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1848.009961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.009961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.009961 (E_RNA) where: Base-Base interactions energy: -1251.239 where: short stacking energy: -562.716 Base-Backbone interact. energy: -4.413 local terms energy: -592.357947 where: bonds (distance) C4'-P energy: -108.238 bonds (distance) P-C4' energy: -114.524 flat angles C4'-P-C4' energy: -130.966 flat angles P-C4'-P energy: -83.392 tors. eta vs tors. theta energy: -155.238 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: 191 Temperature: 1.000000 Total energy: -1715.191021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.191021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.191021 (E_RNA) where: Base-Base interactions energy: -1145.530 where: short stacking energy: -491.118 Base-Backbone interact. energy: 2.154 local terms energy: -571.815816 where: bonds (distance) C4'-P energy: -106.664 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -111.919 flat angles P-C4'-P energy: -91.935 tors. eta vs tors. theta energy: -137.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1551.358238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.358238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.358238 (E_RNA) where: Base-Base interactions energy: -1059.903 where: short stacking energy: -463.255 Base-Backbone interact. energy: -5.854 local terms energy: -485.600732 where: bonds (distance) C4'-P energy: -105.043 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -109.650 flat angles P-C4'-P energy: -64.909 tors. eta vs tors. theta energy: -115.805 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: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1579.260570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.260570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.260570 (E_RNA) where: Base-Base interactions energy: -1063.165 where: short stacking energy: -501.315 Base-Backbone interact. energy: -1.130 local terms energy: -514.966174 where: bonds (distance) C4'-P energy: -98.569 bonds (distance) P-C4' energy: -93.202 flat angles C4'-P-C4' energy: -107.779 flat angles P-C4'-P energy: -78.694 tors. eta vs tors. theta energy: -136.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1459.118001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.118001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.118001 (E_RNA) where: Base-Base interactions energy: -949.131 where: short stacking energy: -438.256 Base-Backbone interact. energy: -0.317 local terms energy: -509.669866 where: bonds (distance) C4'-P energy: -108.427 bonds (distance) P-C4' energy: -105.774 flat angles C4'-P-C4' energy: -105.922 flat angles P-C4'-P energy: -74.987 tors. eta vs tors. theta energy: -114.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1225.830133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.830133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.830133 (E_RNA) where: Base-Base interactions energy: -770.072 where: short stacking energy: -347.121 Base-Backbone interact. energy: 0.264 local terms energy: -456.022878 where: bonds (distance) C4'-P energy: -98.840 bonds (distance) P-C4' energy: -96.946 flat angles C4'-P-C4' energy: -108.828 flat angles P-C4'-P energy: -73.129 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: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1112.983334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.983334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.983334 (E_RNA) where: Base-Base interactions energy: -687.958 where: short stacking energy: -312.478 Base-Backbone interact. energy: 2.052 local terms energy: -427.077439 where: bonds (distance) C4'-P energy: -99.416 bonds (distance) P-C4' energy: -107.938 flat angles C4'-P-C4' energy: -100.080 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -60.028 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: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -871.259581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.259581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.259581 (E_RNA) where: Base-Base interactions energy: -508.393 where: short stacking energy: -273.710 Base-Backbone interact. energy: -0.979 local terms energy: -361.887034 where: bonds (distance) C4'-P energy: -94.111 bonds (distance) P-C4' energy: -86.239 flat angles C4'-P-C4' energy: -94.579 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -41.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -497.199399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.199399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.199399 (E_RNA) where: Base-Base interactions energy: -200.242 where: short stacking energy: -133.596 Base-Backbone interact. energy: -2.536 local terms energy: -294.422289 where: bonds (distance) C4'-P energy: -85.433 bonds (distance) P-C4' energy: -103.283 flat angles C4'-P-C4' energy: -68.688 flat angles P-C4'-P energy: -59.978 tors. eta vs tors. theta energy: 22.960 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: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1968.478661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.478661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.478661 (E_RNA) where: Base-Base interactions energy: -1336.395 where: short stacking energy: -577.422 Base-Backbone interact. energy: -2.868 local terms energy: -629.215026 where: bonds (distance) C4'-P energy: -114.484 bonds (distance) P-C4' energy: -110.810 flat angles C4'-P-C4' energy: -147.132 flat angles P-C4'-P energy: -84.762 tors. eta vs tors. theta energy: -172.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1862.395299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.395299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.395299 (E_RNA) where: Base-Base interactions energy: -1262.222 where: short stacking energy: -556.122 Base-Backbone interact. energy: -4.423 local terms energy: -595.750656 where: bonds (distance) C4'-P energy: -103.392 bonds (distance) P-C4' energy: -123.657 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -89.777 tors. eta vs tors. theta energy: -163.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1717.014074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.014074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.014074 (E_RNA) where: Base-Base interactions energy: -1145.282 where: short stacking energy: -472.202 Base-Backbone interact. energy: -0.827 local terms energy: -570.905023 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -117.533 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -130.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1556.895526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.895526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.895526 (E_RNA) where: Base-Base interactions energy: -1068.158 where: short stacking energy: -441.712 Base-Backbone interact. energy: 0.040 local terms energy: -488.777127 where: bonds (distance) C4'-P energy: -94.548 bonds (distance) P-C4' energy: -107.360 flat angles C4'-P-C4' energy: -110.999 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: -108.745 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: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1552.229722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.229722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.229722 (E_RNA) where: Base-Base interactions energy: -1064.801 where: short stacking energy: -464.162 Base-Backbone interact. energy: -1.165 local terms energy: -486.263858 where: bonds (distance) C4'-P energy: -85.493 bonds (distance) P-C4' energy: -105.035 flat angles C4'-P-C4' energy: -115.058 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -116.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1440.927410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.927410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.927410 (E_RNA) where: Base-Base interactions energy: -953.161 where: short stacking energy: -440.205 Base-Backbone interact. energy: -0.913 local terms energy: -486.852813 where: bonds (distance) C4'-P energy: -92.497 bonds (distance) P-C4' energy: -111.185 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -69.631 tors. eta vs tors. theta energy: -110.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1217.034790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.034790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.034790 (E_RNA) where: Base-Base interactions energy: -739.823 where: short stacking energy: -348.706 Base-Backbone interact. energy: -1.599 local terms energy: -475.613358 where: bonds (distance) C4'-P energy: -101.978 bonds (distance) P-C4' energy: -110.342 flat angles C4'-P-C4' energy: -116.534 flat angles P-C4'-P energy: -56.340 tors. eta vs tors. theta energy: -90.419 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: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1123.096745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.096745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.096745 (E_RNA) where: Base-Base interactions energy: -712.207 where: short stacking energy: -328.992 Base-Backbone interact. energy: -0.977 local terms energy: -409.912253 where: bonds (distance) C4'-P energy: -86.008 bonds (distance) P-C4' energy: -111.177 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -55.166 tors. eta vs tors. theta energy: -71.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -919.805061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.805061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.805061 (E_RNA) where: Base-Base interactions energy: -557.571 where: short stacking energy: -284.238 Base-Backbone interact. energy: 1.874 local terms energy: -364.107929 where: bonds (distance) C4'-P energy: -88.575 bonds (distance) P-C4' energy: -94.998 flat angles C4'-P-C4' energy: -78.425 flat angles P-C4'-P energy: -63.644 tors. eta vs tors. theta energy: -38.465 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: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -436.637829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.637829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.637829 (E_RNA) where: Base-Base interactions energy: -165.553 where: short stacking energy: -132.789 Base-Backbone interact. energy: -1.663 local terms energy: -269.422476 where: bonds (distance) C4'-P energy: -72.239 bonds (distance) P-C4' energy: -91.371 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -57.109 tors. eta vs tors. theta energy: 21.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1980.078813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.078813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.078813 (E_RNA) where: Base-Base interactions energy: -1338.847 where: short stacking energy: -570.799 Base-Backbone interact. energy: -2.867 local terms energy: -638.365252 where: bonds (distance) C4'-P energy: -113.208 bonds (distance) P-C4' energy: -127.227 flat angles C4'-P-C4' energy: -128.419 flat angles P-C4'-P energy: -92.536 tors. eta vs tors. theta energy: -176.976 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: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1756.674491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.674491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.674491 (E_RNA) where: Base-Base interactions energy: -1191.135 where: short stacking energy: -522.560 Base-Backbone interact. energy: -1.086 local terms energy: -564.453066 where: bonds (distance) C4'-P energy: -102.536 bonds (distance) P-C4' energy: -94.464 flat angles C4'-P-C4' energy: -135.328 flat angles P-C4'-P energy: -82.305 tors. eta vs tors. theta energy: -149.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1790.512379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.512379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.512379 (E_RNA) where: Base-Base interactions energy: -1220.082 where: short stacking energy: -564.716 Base-Backbone interact. energy: -1.881 local terms energy: -568.548925 where: bonds (distance) C4'-P energy: -105.178 bonds (distance) P-C4' energy: -107.259 flat angles C4'-P-C4' energy: -124.130 flat angles P-C4'-P energy: -77.855 tors. eta vs tors. theta energy: -154.126 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: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1584.975452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.975452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.975452 (E_RNA) where: Base-Base interactions energy: -1052.033 where: short stacking energy: -472.831 Base-Backbone interact. energy: -2.244 local terms energy: -530.697814 where: bonds (distance) C4'-P energy: -104.782 bonds (distance) P-C4' energy: -106.445 flat angles C4'-P-C4' energy: -119.194 flat angles P-C4'-P energy: -69.536 tors. eta vs tors. theta energy: -130.742 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: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1590.754609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.754609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.754609 (E_RNA) where: Base-Base interactions energy: -1061.998 where: short stacking energy: -482.762 Base-Backbone interact. energy: -1.412 local terms energy: -527.344860 where: bonds (distance) C4'-P energy: -108.717 bonds (distance) P-C4' energy: -104.996 flat angles C4'-P-C4' energy: -129.813 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -118.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1421.255257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.255257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.255257 (E_RNA) where: Base-Base interactions energy: -961.947 where: short stacking energy: -432.346 Base-Backbone interact. energy: -2.654 local terms energy: -456.654211 where: bonds (distance) C4'-P energy: -98.723 bonds (distance) P-C4' energy: -90.631 flat angles C4'-P-C4' energy: -92.487 flat angles P-C4'-P energy: -54.273 tors. eta vs tors. theta energy: -120.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1170.195732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.195732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.195732 (E_RNA) where: Base-Base interactions energy: -736.852 where: short stacking energy: -355.103 Base-Backbone interact. energy: -1.313 local terms energy: -432.030509 where: bonds (distance) C4'-P energy: -97.904 bonds (distance) P-C4' energy: -89.428 flat angles C4'-P-C4' energy: -108.340 flat angles P-C4'-P energy: -68.066 tors. eta vs tors. theta energy: -68.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1094.567356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.567356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.567356 (E_RNA) where: Base-Base interactions energy: -671.521 where: short stacking energy: -320.433 Base-Backbone interact. energy: -1.169 local terms energy: -421.877098 where: bonds (distance) C4'-P energy: -94.678 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -97.991 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: -69.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -900.949464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.949464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.949464 (E_RNA) where: Base-Base interactions energy: -564.347 where: short stacking energy: -261.432 Base-Backbone interact. energy: 1.759 local terms energy: -338.361246 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -102.509 flat angles C4'-P-C4' energy: -73.402 flat angles P-C4'-P energy: -32.203 tors. eta vs tors. theta energy: -29.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -453.676413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.676413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.676413 (E_RNA) where: Base-Base interactions energy: -143.305 where: short stacking energy: -132.313 Base-Backbone interact. energy: 3.244 local terms energy: -313.615688 where: bonds (distance) C4'-P energy: -100.314 bonds (distance) P-C4' energy: -98.844 flat angles C4'-P-C4' energy: -78.055 flat angles P-C4'-P energy: -41.857 tors. eta vs tors. theta energy: 5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1984.739583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.739583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.739583 (E_RNA) where: Base-Base interactions energy: -1356.395 where: short stacking energy: -586.549 Base-Backbone interact. energy: -2.695 local terms energy: -625.649228 where: bonds (distance) C4'-P energy: -122.647 bonds (distance) P-C4' energy: -118.183 flat angles C4'-P-C4' energy: -127.973 flat angles P-C4'-P energy: -82.175 tors. eta vs tors. theta energy: -174.670 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: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1773.346847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.346847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.346847 (E_RNA) where: Base-Base interactions energy: -1211.570 where: short stacking energy: -493.576 Base-Backbone interact. energy: -2.336 local terms energy: -559.440187 where: bonds (distance) C4'-P energy: -113.216 bonds (distance) P-C4' energy: -101.002 flat angles C4'-P-C4' energy: -124.046 flat angles P-C4'-P energy: -84.227 tors. eta vs tors. theta energy: -136.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1765.963310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.963310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.963310 (E_RNA) where: Base-Base interactions energy: -1210.553 where: short stacking energy: -528.410 Base-Backbone interact. energy: 1.664 local terms energy: -557.074601 where: bonds (distance) C4'-P energy: -100.416 bonds (distance) P-C4' energy: -110.542 flat angles C4'-P-C4' energy: -109.387 flat angles P-C4'-P energy: -83.428 tors. eta vs tors. theta energy: -153.302 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: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1628.352862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.352862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.352862 (E_RNA) where: Base-Base interactions energy: -1099.733 where: short stacking energy: -459.273 Base-Backbone interact. energy: -4.612 local terms energy: -524.007822 where: bonds (distance) C4'-P energy: -102.770 bonds (distance) P-C4' energy: -114.408 flat angles C4'-P-C4' energy: -106.439 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -127.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1581.730509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.730509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.730509 (E_RNA) where: Base-Base interactions energy: -1058.247 where: short stacking energy: -473.692 Base-Backbone interact. energy: -4.036 local terms energy: -519.447230 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -100.586 flat angles C4'-P-C4' energy: -124.704 flat angles P-C4'-P energy: -59.866 tors. eta vs tors. theta energy: -133.627 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: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1428.277469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.277469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.277469 (E_RNA) where: Base-Base interactions energy: -934.408 where: short stacking energy: -435.227 Base-Backbone interact. energy: -1.048 local terms energy: -492.821431 where: bonds (distance) C4'-P energy: -104.969 bonds (distance) P-C4' energy: -90.983 flat angles C4'-P-C4' energy: -112.816 flat angles P-C4'-P energy: -73.894 tors. eta vs tors. theta energy: -110.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1149.569911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.569911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.569911 (E_RNA) where: Base-Base interactions energy: -719.881 where: short stacking energy: -332.372 Base-Backbone interact. energy: -4.397 local terms energy: -425.292050 where: bonds (distance) C4'-P energy: -91.392 bonds (distance) P-C4' energy: -102.430 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -55.264 tors. eta vs tors. theta energy: -83.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1052.003641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.003641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.003641 (E_RNA) where: Base-Base interactions energy: -619.653 where: short stacking energy: -285.850 Base-Backbone interact. energy: -4.657 local terms energy: -427.693584 where: bonds (distance) C4'-P energy: -86.505 bonds (distance) P-C4' energy: -115.831 flat angles C4'-P-C4' energy: -100.032 flat angles P-C4'-P energy: -75.471 tors. eta vs tors. theta energy: -49.855 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: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -910.126778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.126778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.126778 (E_RNA) where: Base-Base interactions energy: -525.066 where: short stacking energy: -249.867 Base-Backbone interact. energy: 3.507 local terms energy: -388.568005 where: bonds (distance) C4'-P energy: -100.230 bonds (distance) P-C4' energy: -96.958 flat angles C4'-P-C4' energy: -101.220 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -39.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -471.628437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.628437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.628437 (E_RNA) where: Base-Base interactions energy: -195.697 where: short stacking energy: -154.328 Base-Backbone interact. energy: -0.499 local terms energy: -275.432878 where: bonds (distance) C4'-P energy: -95.718 bonds (distance) P-C4' energy: -84.518 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: 14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1977.304746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.304746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.304746 (E_RNA) where: Base-Base interactions energy: -1346.405 where: short stacking energy: -599.973 Base-Backbone interact. energy: -1.223 local terms energy: -629.676646 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -111.535 flat angles C4'-P-C4' energy: -135.172 flat angles P-C4'-P energy: -89.918 tors. eta vs tors. theta energy: -178.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1791.585556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.585556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.585556 (E_RNA) where: Base-Base interactions energy: -1200.416 where: short stacking energy: -515.417 Base-Backbone interact. energy: -1.889 local terms energy: -589.280102 where: bonds (distance) C4'-P energy: -108.516 bonds (distance) P-C4' energy: -124.111 flat angles C4'-P-C4' energy: -114.490 flat angles P-C4'-P energy: -80.754 tors. eta vs tors. theta energy: -161.410 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: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1771.647367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.647367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.647367 (E_RNA) where: Base-Base interactions energy: -1213.610 where: short stacking energy: -510.153 Base-Backbone interact. energy: 1.811 local terms energy: -559.847790 where: bonds (distance) C4'-P energy: -111.944 bonds (distance) P-C4' energy: -95.651 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -136.492 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: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1644.796735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.796735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.796735 (E_RNA) where: Base-Base interactions energy: -1102.666 where: short stacking energy: -483.937 Base-Backbone interact. energy: -1.555 local terms energy: -540.575522 where: bonds (distance) C4'-P energy: -106.805 bonds (distance) P-C4' energy: -99.474 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -72.675 tors. eta vs tors. theta energy: -135.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1513.128540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.128540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.128540 (E_RNA) where: Base-Base interactions energy: -1021.453 where: short stacking energy: -449.144 Base-Backbone interact. energy: -1.285 local terms energy: -490.390648 where: bonds (distance) C4'-P energy: -95.704 bonds (distance) P-C4' energy: -107.156 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -119.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1444.460205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.460205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.460205 (E_RNA) where: Base-Base interactions energy: -955.126 where: short stacking energy: -413.092 Base-Backbone interact. energy: 3.879 local terms energy: -493.212867 where: bonds (distance) C4'-P energy: -106.696 bonds (distance) P-C4' energy: -95.592 flat angles C4'-P-C4' energy: -110.938 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -109.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1151.238749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.238749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.238749 (E_RNA) where: Base-Base interactions energy: -726.142 where: short stacking energy: -342.077 Base-Backbone interact. energy: 5.274 local terms energy: -430.370981 where: bonds (distance) C4'-P energy: -83.544 bonds (distance) P-C4' energy: -97.629 flat angles C4'-P-C4' energy: -91.573 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -86.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1041.508423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.508423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.508423 (E_RNA) where: Base-Base interactions energy: -626.498 where: short stacking energy: -293.028 Base-Backbone interact. energy: -1.724 local terms energy: -413.287031 where: bonds (distance) C4'-P energy: -98.438 bonds (distance) P-C4' energy: -96.968 flat angles C4'-P-C4' energy: -103.073 flat angles P-C4'-P energy: -55.579 tors. eta vs tors. theta energy: -59.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -912.517186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.517186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.517186 (E_RNA) where: Base-Base interactions energy: -551.963 where: short stacking energy: -294.650 Base-Backbone interact. energy: -1.187 local terms energy: -359.367088 where: bonds (distance) C4'-P energy: -84.722 bonds (distance) P-C4' energy: -88.704 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: -56.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -454.325068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.325068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.325068 (E_RNA) where: Base-Base interactions energy: -167.409 where: short stacking energy: -134.263 Base-Backbone interact. energy: -1.992 local terms energy: -284.924243 where: bonds (distance) C4'-P energy: -93.510 bonds (distance) P-C4' energy: -99.090 flat angles C4'-P-C4' energy: -88.920 flat angles P-C4'-P energy: -38.699 tors. eta vs tors. theta energy: 35.295 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: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1988.434658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.434658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.434658 (E_RNA) where: Base-Base interactions energy: -1359.540 where: short stacking energy: -582.482 Base-Backbone interact. energy: -4.105 local terms energy: -624.789179 where: bonds (distance) C4'-P energy: -112.631 bonds (distance) P-C4' energy: -109.590 flat angles C4'-P-C4' energy: -136.516 flat angles P-C4'-P energy: -88.636 tors. eta vs tors. theta energy: -177.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1844.301107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.301107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.301107 (E_RNA) where: Base-Base interactions energy: -1260.605 where: short stacking energy: -539.678 Base-Backbone interact. energy: -2.681 local terms energy: -581.014771 where: bonds (distance) C4'-P energy: -101.697 bonds (distance) P-C4' energy: -113.813 flat angles C4'-P-C4' energy: -137.501 flat angles P-C4'-P energy: -74.615 tors. eta vs tors. theta energy: -153.389 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: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1751.216801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.216801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.216801 (E_RNA) where: Base-Base interactions energy: -1185.831 where: short stacking energy: -515.301 Base-Backbone interact. energy: -2.961 local terms energy: -562.425479 where: bonds (distance) C4'-P energy: -95.445 bonds (distance) P-C4' energy: -115.352 flat angles C4'-P-C4' energy: -120.982 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -151.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1642.229470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.229470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.229470 (E_RNA) where: Base-Base interactions energy: -1093.191 where: short stacking energy: -482.355 Base-Backbone interact. energy: -1.743 local terms energy: -547.295295 where: bonds (distance) C4'-P energy: -101.198 bonds (distance) P-C4' energy: -107.198 flat angles C4'-P-C4' energy: -109.664 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -145.811 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: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1543.072917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.072917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.072917 (E_RNA) where: Base-Base interactions energy: -1016.188 where: short stacking energy: -445.539 Base-Backbone interact. energy: -1.295 local terms energy: -525.589750 where: bonds (distance) C4'-P energy: -85.869 bonds (distance) P-C4' energy: -112.158 flat angles C4'-P-C4' energy: -129.390 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -119.002 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: 196 Temperature: 1.150000 Total energy: -1420.546349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.546349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.546349 (E_RNA) where: Base-Base interactions energy: -920.854 where: short stacking energy: -426.215 Base-Backbone interact. energy: -1.376 local terms energy: -498.315892 where: bonds (distance) C4'-P energy: -100.694 bonds (distance) P-C4' energy: -109.927 flat angles C4'-P-C4' energy: -101.934 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -112.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1151.501351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.501351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.501351 (E_RNA) where: Base-Base interactions energy: -720.453 where: short stacking energy: -327.796 Base-Backbone interact. energy: 1.379 local terms energy: -432.427864 where: bonds (distance) C4'-P energy: -98.198 bonds (distance) P-C4' energy: -106.439 flat angles C4'-P-C4' energy: -86.647 flat angles P-C4'-P energy: -74.340 tors. eta vs tors. theta energy: -66.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1048.782623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.782623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.782623 (E_RNA) where: Base-Base interactions energy: -667.968 where: short stacking energy: -321.657 Base-Backbone interact. energy: 1.648 local terms energy: -382.463120 where: bonds (distance) C4'-P energy: -85.545 bonds (distance) P-C4' energy: -109.420 flat angles C4'-P-C4' energy: -81.617 flat angles P-C4'-P energy: -63.094 tors. eta vs tors. theta energy: -42.787 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: 7 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -913.467771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.467771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.467771 (E_RNA) where: Base-Base interactions energy: -539.804 where: short stacking energy: -258.235 Base-Backbone interact. energy: 4.637 local terms energy: -378.301486 where: bonds (distance) C4'-P energy: -91.158 bonds (distance) P-C4' energy: -104.347 flat angles C4'-P-C4' energy: -90.773 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -42.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -482.875546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.875546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.875546 (E_RNA) where: Base-Base interactions energy: -196.518 where: short stacking energy: -135.253 Base-Backbone interact. energy: -2.884 local terms energy: -283.473708 where: bonds (distance) C4'-P energy: -82.916 bonds (distance) P-C4' energy: -101.378 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -40.715 tors. eta vs tors. theta energy: 14.615 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: 1, replica: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2002.527295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.527295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.527295 (E_RNA) where: Base-Base interactions energy: -1356.840 where: short stacking energy: -616.728 Base-Backbone interact. energy: -0.965 local terms energy: -644.722701 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -115.285 flat angles C4'-P-C4' energy: -132.347 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -183.582 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: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1830.108481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.108481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.108481 (E_RNA) where: Base-Base interactions energy: -1258.423 where: short stacking energy: -539.359 Base-Backbone interact. energy: -1.748 local terms energy: -569.938275 where: bonds (distance) C4'-P energy: -108.309 bonds (distance) P-C4' energy: -118.643 flat angles C4'-P-C4' energy: -121.603 flat angles P-C4'-P energy: -67.924 tors. eta vs tors. theta energy: -153.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1756.968521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.968521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.968521 (E_RNA) where: Base-Base interactions energy: -1189.808 where: short stacking energy: -533.569 Base-Backbone interact. energy: -1.373 local terms energy: -565.787301 where: bonds (distance) C4'-P energy: -100.279 bonds (distance) P-C4' energy: -108.583 flat angles C4'-P-C4' energy: -131.236 flat angles P-C4'-P energy: -76.156 tors. eta vs tors. theta energy: -149.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1669.331037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.331037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.331037 (E_RNA) where: Base-Base interactions energy: -1096.816 where: short stacking energy: -516.016 Base-Backbone interact. energy: -1.214 local terms energy: -571.300699 where: bonds (distance) C4'-P energy: -110.532 bonds (distance) P-C4' energy: -114.728 flat angles C4'-P-C4' energy: -123.153 flat angles P-C4'-P energy: -79.709 tors. eta vs tors. theta energy: -143.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1471.207941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.207941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.207941 (E_RNA) where: Base-Base interactions energy: -994.104 where: short stacking energy: -437.453 Base-Backbone interact. energy: 0.082 local terms energy: -477.186051 where: bonds (distance) C4'-P energy: -91.292 bonds (distance) P-C4' energy: -97.304 flat angles C4'-P-C4' energy: -116.247 flat angles P-C4'-P energy: -56.660 tors. eta vs tors. theta energy: -115.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1426.180105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.180105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.180105 (E_RNA) where: Base-Base interactions energy: -959.131 where: short stacking energy: -450.187 Base-Backbone interact. energy: -1.154 local terms energy: -465.895529 where: bonds (distance) C4'-P energy: -75.024 bonds (distance) P-C4' energy: -102.489 flat angles C4'-P-C4' energy: -111.752 flat angles P-C4'-P energy: -66.949 tors. eta vs tors. theta energy: -109.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1192.887809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.887809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.887809 (E_RNA) where: Base-Base interactions energy: -760.945 where: short stacking energy: -339.312 Base-Backbone interact. energy: -2.261 local terms energy: -429.682229 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -86.805 flat angles C4'-P-C4' energy: -105.322 flat angles P-C4'-P energy: -71.261 tors. eta vs tors. theta energy: -70.807 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: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1045.234053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.234053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.234053 (E_RNA) where: Base-Base interactions energy: -669.405 where: short stacking energy: -313.505 Base-Backbone interact. energy: 0.088 local terms energy: -375.917312 where: bonds (distance) C4'-P energy: -83.758 bonds (distance) P-C4' energy: -93.001 flat angles C4'-P-C4' energy: -83.274 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: -60.489 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -860.816373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.816373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.816373 (E_RNA) where: Base-Base interactions energy: -493.369 where: short stacking energy: -251.909 Base-Backbone interact. energy: 4.699 local terms energy: -372.146914 where: bonds (distance) C4'-P energy: -102.017 bonds (distance) P-C4' energy: -98.666 flat angles C4'-P-C4' energy: -88.640 flat angles P-C4'-P energy: -54.092 tors. eta vs tors. theta energy: -28.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -449.501759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.501759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.501759 (E_RNA) where: Base-Base interactions energy: -152.614 where: short stacking energy: -133.355 Base-Backbone interact. energy: -0.041 local terms energy: -296.846937 where: bonds (distance) C4'-P energy: -98.747 bonds (distance) P-C4' energy: -100.793 flat angles C4'-P-C4' energy: -63.586 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: 12.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1992.971095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.971095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.971095 (E_RNA) where: Base-Base interactions energy: -1363.186 where: short stacking energy: -592.557 Base-Backbone interact. energy: -4.931 local terms energy: -624.854156 where: bonds (distance) C4'-P energy: -113.728 bonds (distance) P-C4' energy: -111.469 flat angles C4'-P-C4' energy: -129.803 flat angles P-C4'-P energy: -85.705 tors. eta vs tors. theta energy: -184.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1850.517709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.517709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.517709 (E_RNA) where: Base-Base interactions energy: -1255.010 where: short stacking energy: -538.707 Base-Backbone interact. energy: -1.428 local terms energy: -594.080383 where: bonds (distance) C4'-P energy: -102.380 bonds (distance) P-C4' energy: -122.385 flat angles C4'-P-C4' energy: -134.360 flat angles P-C4'-P energy: -81.531 tors. eta vs tors. theta energy: -153.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1775.823572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.823572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.823572 (E_RNA) where: Base-Base interactions energy: -1197.674 where: short stacking energy: -523.521 Base-Backbone interact. energy: -3.356 local terms energy: -574.793360 where: bonds (distance) C4'-P energy: -106.854 bonds (distance) P-C4' energy: -110.589 flat angles C4'-P-C4' energy: -129.266 flat angles P-C4'-P energy: -77.162 tors. eta vs tors. theta energy: -150.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1700.389228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.389228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.389228 (E_RNA) where: Base-Base interactions energy: -1132.869 where: short stacking energy: -516.991 Base-Backbone interact. energy: -2.192 local terms energy: -565.327687 where: bonds (distance) C4'-P energy: -107.807 bonds (distance) P-C4' energy: -110.111 flat angles C4'-P-C4' energy: -125.014 flat angles P-C4'-P energy: -74.839 tors. eta vs tors. theta energy: -147.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1519.919194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.919194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.919194 (E_RNA) where: Base-Base interactions energy: -987.987 where: short stacking energy: -474.170 Base-Backbone interact. energy: -0.570 local terms energy: -531.362525 where: bonds (distance) C4'-P energy: -106.308 bonds (distance) P-C4' energy: -106.411 flat angles C4'-P-C4' energy: -117.385 flat angles P-C4'-P energy: -82.273 tors. eta vs tors. theta energy: -118.985 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: 198 Temperature: 1.150000 Total energy: -1429.656470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.656470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.656470 (E_RNA) where: Base-Base interactions energy: -945.236 where: short stacking energy: -426.719 Base-Backbone interact. energy: -1.328 local terms energy: -483.092335 where: bonds (distance) C4'-P energy: -89.295 bonds (distance) P-C4' energy: -102.335 flat angles C4'-P-C4' energy: -113.473 flat angles P-C4'-P energy: -68.285 tors. eta vs tors. theta energy: -109.705 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: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1197.032075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.032075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.032075 (E_RNA) where: Base-Base interactions energy: -794.039 where: short stacking energy: -354.251 Base-Backbone interact. energy: 1.559 local terms energy: -404.552176 where: bonds (distance) C4'-P energy: -84.446 bonds (distance) P-C4' energy: -97.342 flat angles C4'-P-C4' energy: -100.930 flat angles P-C4'-P energy: -49.896 tors. eta vs tors. theta energy: -71.939 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: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1052.849350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.849350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.849350 (E_RNA) where: Base-Base interactions energy: -639.216 where: short stacking energy: -293.454 Base-Backbone interact. energy: -2.183 local terms energy: -411.450818 where: bonds (distance) C4'-P energy: -102.205 bonds (distance) P-C4' energy: -99.906 flat angles C4'-P-C4' energy: -79.497 flat angles P-C4'-P energy: -54.932 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: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -927.729752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.729752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.729752 (E_RNA) where: Base-Base interactions energy: -527.030 where: short stacking energy: -235.332 Base-Backbone interact. energy: 0.321 local terms energy: -401.021161 where: bonds (distance) C4'-P energy: -104.482 bonds (distance) P-C4' energy: -101.644 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -51.487 tors. eta vs tors. theta energy: -40.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -452.549531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.549531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.549531 (E_RNA) where: Base-Base interactions energy: -166.745 where: short stacking energy: -141.821 Base-Backbone interact. energy: 0.804 local terms energy: -286.608495 where: bonds (distance) C4'-P energy: -90.323 bonds (distance) P-C4' energy: -89.966 flat angles C4'-P-C4' energy: -67.921 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: 8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1975.405237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.405237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.405237 (E_RNA) where: Base-Base interactions energy: -1364.101 where: short stacking energy: -582.303 Base-Backbone interact. energy: -3.392 local terms energy: -607.912066 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -115.474 flat angles C4'-P-C4' energy: -132.446 flat angles P-C4'-P energy: -81.139 tors. eta vs tors. theta energy: -178.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1844.148463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.148463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.148463 (E_RNA) where: Base-Base interactions energy: -1260.323 where: short stacking energy: -532.236 Base-Backbone interact. energy: -1.345 local terms energy: -582.480349 where: bonds (distance) C4'-P energy: -111.347 bonds (distance) P-C4' energy: -122.530 flat angles C4'-P-C4' energy: -130.450 flat angles P-C4'-P energy: -79.677 tors. eta vs tors. theta energy: -138.476 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: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1769.721785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.721785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.721785 (E_RNA) where: Base-Base interactions energy: -1189.278 where: short stacking energy: -528.117 Base-Backbone interact. energy: -1.410 local terms energy: -579.033047 where: bonds (distance) C4'-P energy: -105.438 bonds (distance) P-C4' energy: -129.595 flat angles C4'-P-C4' energy: -124.054 flat angles P-C4'-P energy: -67.329 tors. eta vs tors. theta energy: -152.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1653.291938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.291938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.291938 (E_RNA) where: Base-Base interactions energy: -1109.386 where: short stacking energy: -489.553 Base-Backbone interact. energy: -0.742 local terms energy: -543.163283 where: bonds (distance) C4'-P energy: -106.440 bonds (distance) P-C4' energy: -106.253 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -84.001 tors. eta vs tors. theta energy: -127.850 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: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1482.723158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.723158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.723158 (E_RNA) where: Base-Base interactions energy: -998.587 where: short stacking energy: -457.571 Base-Backbone interact. energy: 0.430 local terms energy: -484.566122 where: bonds (distance) C4'-P energy: -106.367 bonds (distance) P-C4' energy: -86.689 flat angles C4'-P-C4' energy: -114.413 flat angles P-C4'-P energy: -70.766 tors. eta vs tors. theta energy: -106.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1374.773785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.773785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.773785 (E_RNA) where: Base-Base interactions energy: -901.436 where: short stacking energy: -374.613 Base-Backbone interact. energy: 0.073 local terms energy: -473.411364 where: bonds (distance) C4'-P energy: -92.456 bonds (distance) P-C4' energy: -112.181 flat angles C4'-P-C4' energy: -110.040 flat angles P-C4'-P energy: -74.101 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1153.883287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.883287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.883287 (E_RNA) where: Base-Base interactions energy: -744.789 where: short stacking energy: -346.807 Base-Backbone interact. energy: -2.043 local terms energy: -407.051714 where: bonds (distance) C4'-P energy: -92.294 bonds (distance) P-C4' energy: -96.936 flat angles C4'-P-C4' energy: -105.057 flat angles P-C4'-P energy: -48.679 tors. eta vs tors. theta energy: -64.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1081.727535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.727535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.727535 (E_RNA) where: Base-Base interactions energy: -650.934 where: short stacking energy: -299.050 Base-Backbone interact. energy: 1.496 local terms energy: -432.288933 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -100.448 flat angles C4'-P-C4' energy: -101.196 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -64.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -904.301893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.301893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.301893 (E_RNA) where: Base-Base interactions energy: -538.218 where: short stacking energy: -253.622 Base-Backbone interact. energy: -0.326 local terms energy: -365.757356 where: bonds (distance) C4'-P energy: -96.031 bonds (distance) P-C4' energy: -95.465 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -38.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -449.900913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.900913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.900913 (E_RNA) where: Base-Base interactions energy: -172.178 where: short stacking energy: -143.116 Base-Backbone interact. energy: 2.697 local terms energy: -280.419740 where: bonds (distance) C4'-P energy: -106.949 bonds (distance) P-C4' energy: -82.947 flat angles C4'-P-C4' energy: -71.860 flat angles P-C4'-P energy: -39.836 tors. eta vs tors. theta energy: 21.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1939.937361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.937361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.937361 (E_RNA) where: Base-Base interactions energy: -1304.769 where: short stacking energy: -576.276 Base-Backbone interact. energy: -3.343 local terms energy: -631.824941 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -108.852 flat angles C4'-P-C4' energy: -134.100 flat angles P-C4'-P energy: -93.343 tors. eta vs tors. theta energy: -186.375 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: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1791.956797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.956797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.956797 (E_RNA) where: Base-Base interactions energy: -1236.425 where: short stacking energy: -525.008 Base-Backbone interact. energy: 1.605 local terms energy: -557.137625 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -128.269 flat angles P-C4'-P energy: -72.479 tors. eta vs tors. theta energy: -145.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1813.898174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.898174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.898174 (E_RNA) where: Base-Base interactions energy: -1228.633 where: short stacking energy: -550.205 Base-Backbone interact. energy: -2.049 local terms energy: -583.216047 where: bonds (distance) C4'-P energy: -100.527 bonds (distance) P-C4' energy: -106.011 flat angles C4'-P-C4' energy: -132.972 flat angles P-C4'-P energy: -81.072 tors. eta vs tors. theta energy: -162.634 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: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1677.378802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.378802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.378802 (E_RNA) where: Base-Base interactions energy: -1115.444 where: short stacking energy: -503.083 Base-Backbone interact. energy: -0.928 local terms energy: -561.007210 where: bonds (distance) C4'-P energy: -105.366 bonds (distance) P-C4' energy: -106.546 flat angles C4'-P-C4' energy: -119.589 flat angles P-C4'-P energy: -91.119 tors. eta vs tors. theta energy: -138.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1461.351303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.351303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.351303 (E_RNA) where: Base-Base interactions energy: -953.784 where: short stacking energy: -420.692 Base-Backbone interact. energy: 0.212 local terms energy: -507.779465 where: bonds (distance) C4'-P energy: -116.215 bonds (distance) P-C4' energy: -101.504 flat angles C4'-P-C4' energy: -114.984 flat angles P-C4'-P energy: -81.647 tors. eta vs tors. theta energy: -93.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1401.955654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.955654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.955654 (E_RNA) where: Base-Base interactions energy: -926.507 where: short stacking energy: -359.247 Base-Backbone interact. energy: 0.114 local terms energy: -475.562301 where: bonds (distance) C4'-P energy: -101.769 bonds (distance) P-C4' energy: -106.214 flat angles C4'-P-C4' energy: -108.050 flat angles P-C4'-P energy: -73.418 tors. eta vs tors. theta energy: -86.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1176.815502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.815502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.815502 (E_RNA) where: Base-Base interactions energy: -732.153 where: short stacking energy: -368.199 Base-Backbone interact. energy: 2.009 local terms energy: -446.671892 where: bonds (distance) C4'-P energy: -94.753 bonds (distance) P-C4' energy: -113.006 flat angles C4'-P-C4' energy: -91.821 flat angles P-C4'-P energy: -64.725 tors. eta vs tors. theta energy: -82.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1113.419974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.419974 (E_RNA) where: Base-Base interactions energy: -724.173 where: short stacking energy: -308.305 Base-Backbone interact. energy: 0.929 local terms energy: -390.175191 where: bonds (distance) C4'-P energy: -85.371 bonds (distance) P-C4' energy: -98.163 flat angles C4'-P-C4' energy: -98.797 flat angles P-C4'-P energy: -47.188 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: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -889.086696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.086696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.086696 (E_RNA) where: Base-Base interactions energy: -531.289 where: short stacking energy: -243.992 Base-Backbone interact. energy: -0.970 local terms energy: -356.827567 where: bonds (distance) C4'-P energy: -96.369 bonds (distance) P-C4' energy: -96.800 flat angles C4'-P-C4' energy: -83.127 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -33.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -435.862443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.862443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.862443 (E_RNA) where: Base-Base interactions energy: -173.071 where: short stacking energy: -139.221 Base-Backbone interact. energy: -2.013 local terms energy: -260.778517 where: bonds (distance) C4'-P energy: -91.406 bonds (distance) P-C4' energy: -91.178 flat angles C4'-P-C4' energy: -62.742 flat angles P-C4'-P energy: -35.478 tors. eta vs tors. theta energy: 20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1974.583282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.583282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.583282 (E_RNA) where: Base-Base interactions energy: -1329.476 where: short stacking energy: -610.377 Base-Backbone interact. energy: -3.630 local terms energy: -641.477457 where: bonds (distance) C4'-P energy: -101.971 bonds (distance) P-C4' energy: -128.021 flat angles C4'-P-C4' energy: -127.964 flat angles P-C4'-P energy: -97.651 tors. eta vs tors. theta energy: -185.871 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: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1880.119441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.119441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.119441 (E_RNA) where: Base-Base interactions energy: -1297.422 where: short stacking energy: -558.967 Base-Backbone interact. energy: -3.055 local terms energy: -579.641609 where: bonds (distance) C4'-P energy: -116.084 bonds (distance) P-C4' energy: -101.729 flat angles C4'-P-C4' energy: -120.415 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -165.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1764.491847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.491847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.491847 (E_RNA) where: Base-Base interactions energy: -1193.507 where: short stacking energy: -508.390 Base-Backbone interact. energy: -4.619 local terms energy: -566.365355 where: bonds (distance) C4'-P energy: -106.956 bonds (distance) P-C4' energy: -114.700 flat angles C4'-P-C4' energy: -131.013 flat angles P-C4'-P energy: -82.432 tors. eta vs tors. theta energy: -131.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1673.876620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.876620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.876620 (E_RNA) where: Base-Base interactions energy: -1114.936 where: short stacking energy: -501.862 Base-Backbone interact. energy: -0.044 local terms energy: -558.896433 where: bonds (distance) C4'-P energy: -108.793 bonds (distance) P-C4' energy: -113.068 flat angles C4'-P-C4' energy: -114.675 flat angles P-C4'-P energy: -78.238 tors. eta vs tors. theta energy: -144.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1527.543915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.543915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.543915 (E_RNA) where: Base-Base interactions energy: -994.826 where: short stacking energy: -448.342 Base-Backbone interact. energy: -1.983 local terms energy: -530.735426 where: bonds (distance) C4'-P energy: -96.095 bonds (distance) P-C4' energy: -105.020 flat angles C4'-P-C4' energy: -123.037 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -129.984 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: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1351.289541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.289541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.289541 (E_RNA) where: Base-Base interactions energy: -891.676 where: short stacking energy: -383.524 Base-Backbone interact. energy: -2.262 local terms energy: -457.351246 where: bonds (distance) C4'-P energy: -96.585 bonds (distance) P-C4' energy: -101.619 flat angles C4'-P-C4' energy: -103.867 flat angles P-C4'-P energy: -63.748 tors. eta vs tors. theta energy: -91.532 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: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1174.797092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.797092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.797092 (E_RNA) where: Base-Base interactions energy: -729.958 where: short stacking energy: -358.916 Base-Backbone interact. energy: 3.854 local terms energy: -448.692922 where: bonds (distance) C4'-P energy: -87.190 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -107.971 flat angles P-C4'-P energy: -62.828 tors. eta vs tors. theta energy: -85.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1060.768941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.768941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.768941 (E_RNA) where: Base-Base interactions energy: -668.527 where: short stacking energy: -313.603 Base-Backbone interact. energy: 1.584 local terms energy: -393.825139 where: bonds (distance) C4'-P energy: -95.261 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -105.122 flat angles P-C4'-P energy: -48.066 tors. eta vs tors. theta energy: -52.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -956.550471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.550471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.550471 (E_RNA) where: Base-Base interactions energy: -589.400 where: short stacking energy: -271.300 Base-Backbone interact. energy: -1.169 local terms energy: -365.981584 where: bonds (distance) C4'-P energy: -89.635 bonds (distance) P-C4' energy: -86.788 flat angles C4'-P-C4' energy: -88.949 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -43.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -451.908604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.908604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.908604 (E_RNA) where: Base-Base interactions energy: -159.967 where: short stacking energy: -132.062 Base-Backbone interact. energy: -2.018 local terms energy: -289.923666 where: bonds (distance) C4'-P energy: -93.698 bonds (distance) P-C4' energy: -101.215 flat angles C4'-P-C4' energy: -60.802 flat angles P-C4'-P energy: -57.457 tors. eta vs tors. theta energy: 23.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1977.514229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.514229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.514229 (E_RNA) where: Base-Base interactions energy: -1343.355 where: short stacking energy: -588.550 Base-Backbone interact. energy: -3.547 local terms energy: -630.612737 where: bonds (distance) C4'-P energy: -119.262 bonds (distance) P-C4' energy: -115.376 flat angles C4'-P-C4' energy: -133.050 flat angles P-C4'-P energy: -86.113 tors. eta vs tors. theta energy: -176.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1885.104768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.104768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.104768 (E_RNA) where: Base-Base interactions energy: -1270.997 where: short stacking energy: -545.353 Base-Backbone interact. energy: -1.447 local terms energy: -612.661562 where: bonds (distance) C4'-P energy: -111.971 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -133.689 flat angles P-C4'-P energy: -84.753 tors. eta vs tors. theta energy: -162.813 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: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1754.707529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.707529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.707529 (E_RNA) where: Base-Base interactions energy: -1186.281 where: short stacking energy: -489.372 Base-Backbone interact. energy: 0.439 local terms energy: -568.865896 where: bonds (distance) C4'-P energy: -104.775 bonds (distance) P-C4' energy: -114.758 flat angles C4'-P-C4' energy: -130.654 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -145.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1707.449717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.449717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.449717 (E_RNA) where: Base-Base interactions energy: -1136.542 where: short stacking energy: -511.975 Base-Backbone interact. energy: -2.285 local terms energy: -568.623064 where: bonds (distance) C4'-P energy: -110.950 bonds (distance) P-C4' energy: -111.352 flat angles C4'-P-C4' energy: -115.535 flat angles P-C4'-P energy: -86.403 tors. eta vs tors. theta energy: -144.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1573.748597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.748597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.748597 (E_RNA) where: Base-Base interactions energy: -1040.371 where: short stacking energy: -470.168 Base-Backbone interact. energy: -2.189 local terms energy: -531.188193 where: bonds (distance) C4'-P energy: -109.622 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -115.150 flat angles P-C4'-P energy: -78.897 tors. eta vs tors. theta energy: -112.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1397.326592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.326592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.326592 (E_RNA) where: Base-Base interactions energy: -938.520 where: short stacking energy: -402.038 Base-Backbone interact. energy: 1.182 local terms energy: -459.988530 where: bonds (distance) C4'-P energy: -86.826 bonds (distance) P-C4' energy: -98.998 flat angles C4'-P-C4' energy: -122.355 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -90.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1113.770790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.770790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.770790 (E_RNA) where: Base-Base interactions energy: -673.215 where: short stacking energy: -302.351 Base-Backbone interact. energy: -0.287 local terms energy: -440.268404 where: bonds (distance) C4'-P energy: -101.792 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -104.614 flat angles P-C4'-P energy: -69.579 tors. eta vs tors. theta energy: -69.190 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: 8, replica: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1162.955919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.955919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.955919 (E_RNA) where: Base-Base interactions energy: -732.868 where: short stacking energy: -334.655 Base-Backbone interact. energy: -2.757 local terms energy: -427.331130 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -93.968 flat angles C4'-P-C4' energy: -92.115 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: -74.974 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: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -963.418013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.418013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.418013 (E_RNA) where: Base-Base interactions energy: -602.384 where: short stacking energy: -263.577 Base-Backbone interact. energy: 1.850 local terms energy: -362.884334 where: bonds (distance) C4'-P energy: -79.482 bonds (distance) P-C4' energy: -93.687 flat angles C4'-P-C4' energy: -88.057 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -37.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -471.154497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.154497 (E_RNA) where: Base-Base interactions energy: -171.896 where: short stacking energy: -143.453 Base-Backbone interact. energy: -0.924 local terms energy: -298.335028 where: bonds (distance) C4'-P energy: -77.045 bonds (distance) P-C4' energy: -92.623 flat angles C4'-P-C4' energy: -86.708 flat angles P-C4'-P energy: -52.084 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: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1968.135847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.135847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.135847 (E_RNA) where: Base-Base interactions energy: -1336.088 where: short stacking energy: -618.200 Base-Backbone interact. energy: -1.535 local terms energy: -630.512666 where: bonds (distance) C4'-P energy: -105.169 bonds (distance) P-C4' energy: -110.852 flat angles C4'-P-C4' energy: -129.211 flat angles P-C4'-P energy: -94.702 tors. eta vs tors. theta energy: -190.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1856.590467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.590467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.590467 (E_RNA) where: Base-Base interactions energy: -1267.433 where: short stacking energy: -547.688 Base-Backbone interact. energy: -4.272 local terms energy: -584.885587 where: bonds (distance) C4'-P energy: -101.916 bonds (distance) P-C4' energy: -100.861 flat angles C4'-P-C4' energy: -129.892 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -172.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1772.436199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.436199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.436199 (E_RNA) where: Base-Base interactions energy: -1212.998 where: short stacking energy: -508.799 Base-Backbone interact. energy: 2.462 local terms energy: -561.900779 where: bonds (distance) C4'-P energy: -106.376 bonds (distance) P-C4' energy: -117.323 flat angles C4'-P-C4' energy: -130.225 flat angles P-C4'-P energy: -74.182 tors. eta vs tors. theta energy: -133.795 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: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1649.291420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.291420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.291420 (E_RNA) where: Base-Base interactions energy: -1074.026 where: short stacking energy: -495.425 Base-Backbone interact. energy: -0.732 local terms energy: -574.533093 where: bonds (distance) C4'-P energy: -107.693 bonds (distance) P-C4' energy: -112.424 flat angles C4'-P-C4' energy: -110.848 flat angles P-C4'-P energy: -88.202 tors. eta vs tors. theta energy: -155.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1589.717065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.717065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.717065 (E_RNA) where: Base-Base interactions energy: -1064.418 where: short stacking energy: -462.396 Base-Backbone interact. energy: -1.093 local terms energy: -524.206038 where: bonds (distance) C4'-P energy: -98.645 bonds (distance) P-C4' energy: -108.043 flat angles C4'-P-C4' energy: -118.970 flat angles P-C4'-P energy: -77.502 tors. eta vs tors. theta energy: -121.047 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: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1316.361095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.361095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.361095 (E_RNA) where: Base-Base interactions energy: -867.480 where: short stacking energy: -384.781 Base-Backbone interact. energy: -4.087 local terms energy: -444.793681 where: bonds (distance) C4'-P energy: -95.536 bonds (distance) P-C4' energy: -105.204 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -61.812 tors. eta vs tors. theta energy: -74.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1124.497356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.497356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.497356 (E_RNA) where: Base-Base interactions energy: -697.798 where: short stacking energy: -332.487 Base-Backbone interact. energy: -1.911 local terms energy: -424.788956 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -105.068 flat angles C4'-P-C4' energy: -99.961 flat angles P-C4'-P energy: -74.610 tors. eta vs tors. theta energy: -54.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1133.929419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.929419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.929419 (E_RNA) where: Base-Base interactions energy: -743.962 where: short stacking energy: -349.617 Base-Backbone interact. energy: 1.334 local terms energy: -391.301109 where: bonds (distance) C4'-P energy: -79.473 bonds (distance) P-C4' energy: -86.146 flat angles C4'-P-C4' energy: -89.634 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -74.867 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: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -979.244989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.244989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.244989 (E_RNA) where: Base-Base interactions energy: -612.284 where: short stacking energy: -283.486 Base-Backbone interact. energy: 3.524 local terms energy: -370.484766 where: bonds (distance) C4'-P energy: -89.267 bonds (distance) P-C4' energy: -102.518 flat angles C4'-P-C4' energy: -77.585 flat angles P-C4'-P energy: -56.755 tors. eta vs tors. theta energy: -44.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -455.743716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.743716 (E_RNA) where: Base-Base interactions energy: -147.956 where: short stacking energy: -133.392 Base-Backbone interact. energy: 0.454 local terms energy: -308.240976 where: bonds (distance) C4'-P energy: -96.243 bonds (distance) P-C4' energy: -103.401 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: 8.446 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: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1948.278168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.278168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.278168 (E_RNA) where: Base-Base interactions energy: -1352.972 where: short stacking energy: -605.624 Base-Backbone interact. energy: -3.770 local terms energy: -591.536864 where: bonds (distance) C4'-P energy: -108.291 bonds (distance) P-C4' energy: -92.371 flat angles C4'-P-C4' energy: -126.029 flat angles P-C4'-P energy: -87.604 tors. eta vs tors. theta energy: -177.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1871.012086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.012086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.012086 (E_RNA) where: Base-Base interactions energy: -1254.702 where: short stacking energy: -550.420 Base-Backbone interact. energy: -3.278 local terms energy: -613.031940 where: bonds (distance) C4'-P energy: -109.675 bonds (distance) P-C4' energy: -127.894 flat angles C4'-P-C4' energy: -129.410 flat angles P-C4'-P energy: -73.332 tors. eta vs tors. theta energy: -172.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1784.389412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.389412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.389412 (E_RNA) where: Base-Base interactions energy: -1229.397 where: short stacking energy: -478.815 Base-Backbone interact. energy: 2.732 local terms energy: -557.724593 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -106.908 flat angles C4'-P-C4' energy: -131.201 flat angles P-C4'-P energy: -86.505 tors. eta vs tors. theta energy: -135.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1685.362879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.362879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.362879 (E_RNA) where: Base-Base interactions energy: -1135.878 where: short stacking energy: -506.345 Base-Backbone interact. energy: -0.792 local terms energy: -548.692855 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -105.556 flat angles C4'-P-C4' energy: -123.157 flat angles P-C4'-P energy: -70.002 tors. eta vs tors. theta energy: -139.283 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: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1604.655738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.655738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.655738 (E_RNA) where: Base-Base interactions energy: -1076.916 where: short stacking energy: -470.239 Base-Backbone interact. energy: 1.286 local terms energy: -529.026367 where: bonds (distance) C4'-P energy: -105.405 bonds (distance) P-C4' energy: -113.258 flat angles C4'-P-C4' energy: -118.725 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -124.828 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: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1355.572378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.572378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.572378 (E_RNA) where: Base-Base interactions energy: -877.738 where: short stacking energy: -372.376 Base-Backbone interact. energy: -3.082 local terms energy: -474.752153 where: bonds (distance) C4'-P energy: -99.727 bonds (distance) P-C4' energy: -110.782 flat angles C4'-P-C4' energy: -107.927 flat angles P-C4'-P energy: -69.410 tors. eta vs tors. theta energy: -86.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1118.728523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.728523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.728523 (E_RNA) where: Base-Base interactions energy: -661.304 where: short stacking energy: -306.244 Base-Backbone interact. energy: -0.693 local terms energy: -456.731332 where: bonds (distance) C4'-P energy: -102.630 bonds (distance) P-C4' energy: -119.490 flat angles C4'-P-C4' energy: -110.750 flat angles P-C4'-P energy: -77.538 tors. eta vs tors. theta energy: -46.323 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: 204 Temperature: 1.250000 Total energy: -1119.348834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.348834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.348834 (E_RNA) where: Base-Base interactions energy: -695.761 where: short stacking energy: -318.480 Base-Backbone interact. energy: -2.374 local terms energy: -421.213258 where: bonds (distance) C4'-P energy: -88.688 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -109.781 flat angles P-C4'-P energy: -76.224 tors. eta vs tors. theta energy: -65.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -946.203407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.203407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.203407 (E_RNA) where: Base-Base interactions energy: -560.498 where: short stacking energy: -229.053 Base-Backbone interact. energy: -0.702 local terms energy: -385.003768 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -94.921 flat angles P-C4'-P energy: -54.740 tors. eta vs tors. theta energy: -31.746 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: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -501.934979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.934979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.934979 (E_RNA) where: Base-Base interactions energy: -203.010 where: short stacking energy: -150.744 Base-Backbone interact. energy: 0.036 local terms energy: -298.961028 where: bonds (distance) C4'-P energy: -91.084 bonds (distance) P-C4' energy: -98.353 flat angles C4'-P-C4' energy: -75.539 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: 11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1952.567253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.567253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.567253 (E_RNA) where: Base-Base interactions energy: -1339.421 where: short stacking energy: -579.969 Base-Backbone interact. energy: -2.476 local terms energy: -610.670371 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -108.634 flat angles C4'-P-C4' energy: -134.424 flat angles P-C4'-P energy: -80.745 tors. eta vs tors. theta energy: -167.720 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: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1844.683084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.683084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.683084 (E_RNA) where: Base-Base interactions energy: -1239.535 where: short stacking energy: -546.599 Base-Backbone interact. energy: -1.022 local terms energy: -604.126226 where: bonds (distance) C4'-P energy: -97.976 bonds (distance) P-C4' energy: -124.035 flat angles C4'-P-C4' energy: -127.695 flat angles P-C4'-P energy: -98.322 tors. eta vs tors. theta energy: -156.097 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: 205 Temperature: 1.000000 Total energy: -1749.027386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.027386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.027386 (E_RNA) where: Base-Base interactions energy: -1204.949 where: short stacking energy: -492.286 Base-Backbone interact. energy: -0.067 local terms energy: -544.011778 where: bonds (distance) C4'-P energy: -110.362 bonds (distance) P-C4' energy: -101.975 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -75.124 tors. eta vs tors. theta energy: -137.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1671.378509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.378509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.378509 (E_RNA) where: Base-Base interactions energy: -1113.507 where: short stacking energy: -495.639 Base-Backbone interact. energy: -1.482 local terms energy: -556.389338 where: bonds (distance) C4'-P energy: -115.032 bonds (distance) P-C4' energy: -113.371 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -78.050 tors. eta vs tors. theta energy: -131.450 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: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1671.136772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.136772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.136772 (E_RNA) where: Base-Base interactions energy: -1145.067 where: short stacking energy: -498.879 Base-Backbone interact. energy: -1.329 local terms energy: -524.740697 where: bonds (distance) C4'-P energy: -93.091 bonds (distance) P-C4' energy: -108.426 flat angles C4'-P-C4' energy: -123.827 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: -126.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1293.427876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.427876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.427876 (E_RNA) where: Base-Base interactions energy: -841.256 where: short stacking energy: -366.257 Base-Backbone interact. energy: 0.382 local terms energy: -452.553553 where: bonds (distance) C4'-P energy: -98.511 bonds (distance) P-C4' energy: -108.843 flat angles C4'-P-C4' energy: -99.075 flat angles P-C4'-P energy: -70.106 tors. eta vs tors. theta energy: -76.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1180.091652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.091652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.091652 (E_RNA) where: Base-Base interactions energy: -745.320 where: short stacking energy: -352.568 Base-Backbone interact. energy: 0.123 local terms energy: -434.895084 where: bonds (distance) C4'-P energy: -92.197 bonds (distance) P-C4' energy: -98.327 flat angles C4'-P-C4' energy: -94.074 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -82.137 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: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1096.728071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.728071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.728071 (E_RNA) where: Base-Base interactions energy: -690.875 where: short stacking energy: -313.431 Base-Backbone interact. energy: -1.390 local terms energy: -404.463363 where: bonds (distance) C4'-P energy: -94.848 bonds (distance) P-C4' energy: -98.940 flat angles C4'-P-C4' energy: -98.794 flat angles P-C4'-P energy: -52.477 tors. eta vs tors. theta energy: -59.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -952.708141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.708141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.708141 (E_RNA) where: Base-Base interactions energy: -580.702 where: short stacking energy: -289.698 Base-Backbone interact. energy: 0.182 local terms energy: -372.188135 where: bonds (distance) C4'-P energy: -74.660 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -93.958 flat angles P-C4'-P energy: -58.536 tors. eta vs tors. theta energy: -51.783 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: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -467.627461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.627461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.627461 (E_RNA) where: Base-Base interactions energy: -145.275 where: short stacking energy: -110.676 Base-Backbone interact. energy: 2.877 local terms energy: -325.229886 where: bonds (distance) C4'-P energy: -91.214 bonds (distance) P-C4' energy: -93.637 flat angles C4'-P-C4' energy: -93.710 flat angles P-C4'-P energy: -62.253 tors. eta vs tors. theta energy: 15.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1955.484378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.484378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.484378 (E_RNA) where: Base-Base interactions energy: -1325.457 where: short stacking energy: -603.415 Base-Backbone interact. energy: -2.093 local terms energy: -627.933756 where: bonds (distance) C4'-P energy: -116.047 bonds (distance) P-C4' energy: -121.919 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -180.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1867.144113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.144113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.144113 (E_RNA) where: Base-Base interactions energy: -1264.322 where: short stacking energy: -557.020 Base-Backbone interact. energy: -2.055 local terms energy: -600.767516 where: bonds (distance) C4'-P energy: -113.099 bonds (distance) P-C4' energy: -106.854 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -91.581 tors. eta vs tors. theta energy: -159.111 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: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1749.923331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.923331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.923331 (E_RNA) where: Base-Base interactions energy: -1183.837 where: short stacking energy: -500.032 Base-Backbone interact. energy: 4.154 local terms energy: -570.240274 where: bonds (distance) C4'-P energy: -113.660 bonds (distance) P-C4' energy: -115.094 flat angles C4'-P-C4' energy: -129.978 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: -138.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1679.133718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.133718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.133718 (E_RNA) where: Base-Base interactions energy: -1148.461 where: short stacking energy: -523.077 Base-Backbone interact. energy: -1.274 local terms energy: -529.399384 where: bonds (distance) C4'-P energy: -96.146 bonds (distance) P-C4' energy: -106.595 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -67.084 tors. eta vs tors. theta energy: -134.518 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1661.871696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.871696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.871696 (E_RNA) where: Base-Base interactions energy: -1101.220 where: short stacking energy: -480.189 Base-Backbone interact. energy: -2.708 local terms energy: -557.944007 where: bonds (distance) C4'-P energy: -103.662 bonds (distance) P-C4' energy: -117.490 flat angles C4'-P-C4' energy: -121.188 flat angles P-C4'-P energy: -76.336 tors. eta vs tors. theta energy: -139.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1340.896305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.896305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.896305 (E_RNA) where: Base-Base interactions energy: -877.495 where: short stacking energy: -380.440 Base-Backbone interact. energy: 0.728 local terms energy: -464.128624 where: bonds (distance) C4'-P energy: -102.941 bonds (distance) P-C4' energy: -114.239 flat angles C4'-P-C4' energy: -107.418 flat angles P-C4'-P energy: -60.333 tors. eta vs tors. theta energy: -79.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1132.746281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.746281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.746281 (E_RNA) where: Base-Base interactions energy: -709.720 where: short stacking energy: -342.640 Base-Backbone interact. energy: -2.603 local terms energy: -420.422910 where: bonds (distance) C4'-P energy: -81.767 bonds (distance) P-C4' energy: -98.933 flat angles C4'-P-C4' energy: -103.630 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -74.137 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: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1165.316876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.316876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.316876 (E_RNA) where: Base-Base interactions energy: -718.303 where: short stacking energy: -339.961 Base-Backbone interact. energy: -5.349 local terms energy: -441.664241 where: bonds (distance) C4'-P energy: -93.345 bonds (distance) P-C4' energy: -101.374 flat angles C4'-P-C4' energy: -108.168 flat angles P-C4'-P energy: -59.141 tors. eta vs tors. theta energy: -79.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -885.194141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.194141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.194141 (E_RNA) where: Base-Base interactions energy: -543.534 where: short stacking energy: -262.095 Base-Backbone interact. energy: 2.275 local terms energy: -343.935209 where: bonds (distance) C4'-P energy: -65.077 bonds (distance) P-C4' energy: -101.437 flat angles C4'-P-C4' energy: -80.527 flat angles P-C4'-P energy: -64.947 tors. eta vs tors. theta energy: -31.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -435.414918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.414918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.414918 (E_RNA) where: Base-Base interactions energy: -148.230 where: short stacking energy: -102.542 Base-Backbone interact. energy: -2.710 local terms energy: -284.474212 where: bonds (distance) C4'-P energy: -86.808 bonds (distance) P-C4' energy: -108.533 flat angles C4'-P-C4' energy: -86.626 flat angles P-C4'-P energy: -34.581 tors. eta vs tors. theta energy: 32.075 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: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1929.819052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.819052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.819052 (E_RNA) where: Base-Base interactions energy: -1305.415 where: short stacking energy: -591.806 Base-Backbone interact. energy: -1.688 local terms energy: -622.716088 where: bonds (distance) C4'-P energy: -108.059 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -129.823 flat angles P-C4'-P energy: -91.588 tors. eta vs tors. theta energy: -176.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1901.771881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.771881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.771881 (E_RNA) where: Base-Base interactions energy: -1322.908 where: short stacking energy: -586.924 Base-Backbone interact. energy: 2.441 local terms energy: -581.304955 where: bonds (distance) C4'-P energy: -111.793 bonds (distance) P-C4' energy: -101.527 flat angles C4'-P-C4' energy: -124.918 flat angles P-C4'-P energy: -79.870 tors. eta vs tors. theta energy: -163.197 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: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1738.965354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.965354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.965354 (E_RNA) where: Base-Base interactions energy: -1187.864 where: short stacking energy: -483.140 Base-Backbone interact. energy: -1.607 local terms energy: -549.495213 where: bonds (distance) C4'-P energy: -117.116 bonds (distance) P-C4' energy: -104.925 flat angles C4'-P-C4' energy: -124.410 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -126.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1699.166210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.166210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.166210 (E_RNA) where: Base-Base interactions energy: -1173.493 where: short stacking energy: -524.574 Base-Backbone interact. energy: 0.331 local terms energy: -526.004719 where: bonds (distance) C4'-P energy: -100.167 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -108.674 flat angles P-C4'-P energy: -89.609 tors. eta vs tors. theta energy: -136.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1587.330320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.330320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.330320 (E_RNA) where: Base-Base interactions energy: -1084.267 where: short stacking energy: -473.533 Base-Backbone interact. energy: -2.711 local terms energy: -500.352272 where: bonds (distance) C4'-P energy: -92.271 bonds (distance) P-C4' energy: -107.635 flat angles C4'-P-C4' energy: -103.921 flat angles P-C4'-P energy: -77.448 tors. eta vs tors. theta energy: -119.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1371.654087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.654087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.654087 (E_RNA) where: Base-Base interactions energy: -900.266 where: short stacking energy: -409.192 Base-Backbone interact. energy: 0.160 local terms energy: -471.547713 where: bonds (distance) C4'-P energy: -99.072 bonds (distance) P-C4' energy: -106.446 flat angles C4'-P-C4' energy: -104.879 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -89.033 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: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1173.834215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.834215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.834215 (E_RNA) where: Base-Base interactions energy: -752.412 where: short stacking energy: -340.904 Base-Backbone interact. energy: -0.328 local terms energy: -421.093826 where: bonds (distance) C4'-P energy: -90.990 bonds (distance) P-C4' energy: -106.917 flat angles C4'-P-C4' energy: -90.125 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -61.548 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: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1172.130418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.130418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.130418 (E_RNA) where: Base-Base interactions energy: -774.645 where: short stacking energy: -362.534 Base-Backbone interact. energy: -1.590 local terms energy: -395.895102 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -78.915 flat angles C4'-P-C4' energy: -90.694 flat angles P-C4'-P energy: -64.635 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: 9, replica: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -895.966440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.966440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.966440 (E_RNA) where: Base-Base interactions energy: -530.283 where: short stacking energy: -252.231 Base-Backbone interact. energy: 1.973 local terms energy: -367.656453 where: bonds (distance) C4'-P energy: -73.963 bonds (distance) P-C4' energy: -104.499 flat angles C4'-P-C4' energy: -90.504 flat angles P-C4'-P energy: -65.859 tors. eta vs tors. theta energy: -32.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -474.208491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.208491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.208491 (E_RNA) where: Base-Base interactions energy: -188.175 where: short stacking energy: -95.773 Base-Backbone interact. energy: 3.343 local terms energy: -289.376578 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -111.987 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -38.017 tors. eta vs tors. theta energy: 40.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1945.646808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.646808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.646808 (E_RNA) where: Base-Base interactions energy: -1312.839 where: short stacking energy: -576.711 Base-Backbone interact. energy: -3.833 local terms energy: -628.975384 where: bonds (distance) C4'-P energy: -120.182 bonds (distance) P-C4' energy: -126.069 flat angles C4'-P-C4' energy: -129.556 flat angles P-C4'-P energy: -86.825 tors. eta vs tors. theta energy: -166.344 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: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1923.662619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.662619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.662619 (E_RNA) where: Base-Base interactions energy: -1316.257 where: short stacking energy: -569.657 Base-Backbone interact. energy: -2.420 local terms energy: -604.985657 where: bonds (distance) C4'-P energy: -114.763 bonds (distance) P-C4' energy: -105.935 flat angles C4'-P-C4' energy: -126.608 flat angles P-C4'-P energy: -86.127 tors. eta vs tors. theta energy: -171.553 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: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1761.576676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.576676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.576676 (E_RNA) where: Base-Base interactions energy: -1183.746 where: short stacking energy: -523.286 Base-Backbone interact. energy: -0.540 local terms energy: -577.291254 where: bonds (distance) C4'-P energy: -118.551 bonds (distance) P-C4' energy: -109.022 flat angles C4'-P-C4' energy: -123.912 flat angles P-C4'-P energy: -76.355 tors. eta vs tors. theta energy: -149.451 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: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1680.750814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.750814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.750814 (E_RNA) where: Base-Base interactions energy: -1134.773 where: short stacking energy: -480.633 Base-Backbone interact. energy: -2.386 local terms energy: -543.591523 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -116.454 flat angles C4'-P-C4' energy: -118.327 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -122.501 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: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1621.829337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.829337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.829337 (E_RNA) where: Base-Base interactions energy: -1104.602 where: short stacking energy: -483.490 Base-Backbone interact. energy: -2.533 local terms energy: -514.694478 where: bonds (distance) C4'-P energy: -109.918 bonds (distance) P-C4' energy: -97.883 flat angles C4'-P-C4' energy: -107.623 flat angles P-C4'-P energy: -68.280 tors. eta vs tors. theta energy: -130.989 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: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1383.556055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.556055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.556055 (E_RNA) where: Base-Base interactions energy: -938.216 where: short stacking energy: -402.950 Base-Backbone interact. energy: -1.417 local terms energy: -443.923219 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -111.526 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -89.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1178.263250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.263250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.263250 (E_RNA) where: Base-Base interactions energy: -766.148 where: short stacking energy: -358.966 Base-Backbone interact. energy: -0.431 local terms energy: -411.683534 where: bonds (distance) C4'-P energy: -92.362 bonds (distance) P-C4' energy: -84.342 flat angles C4'-P-C4' energy: -88.908 flat angles P-C4'-P energy: -73.301 tors. eta vs tors. theta energy: -72.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1167.982502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.982502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.982502 (E_RNA) where: Base-Base interactions energy: -721.892 where: short stacking energy: -313.222 Base-Backbone interact. energy: -0.985 local terms energy: -445.104936 where: bonds (distance) C4'-P energy: -101.324 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -72.405 tors. eta vs tors. theta energy: -77.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -847.382791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.382791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.382791 (E_RNA) where: Base-Base interactions energy: -472.524 where: short stacking energy: -222.228 Base-Backbone interact. energy: 0.542 local terms energy: -375.401173 where: bonds (distance) C4'-P energy: -92.720 bonds (distance) P-C4' energy: -92.254 flat angles C4'-P-C4' energy: -102.827 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: -21.993 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: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -529.060805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.060805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.060805 (E_RNA) where: Base-Base interactions energy: -203.074 where: short stacking energy: -128.568 Base-Backbone interact. energy: -0.115 local terms energy: -325.872239 where: bonds (distance) C4'-P energy: -92.490 bonds (distance) P-C4' energy: -104.435 flat angles C4'-P-C4' energy: -88.601 flat angles P-C4'-P energy: -43.549 tors. eta vs tors. theta energy: 3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1951.057255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.057255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.057255 (E_RNA) where: Base-Base interactions energy: -1357.390 where: short stacking energy: -569.068 Base-Backbone interact. energy: -5.310 local terms energy: -588.358150 where: bonds (distance) C4'-P energy: -102.103 bonds (distance) P-C4' energy: -118.268 flat angles C4'-P-C4' energy: -130.557 flat angles P-C4'-P energy: -75.306 tors. eta vs tors. theta energy: -162.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1888.457833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.457833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.457833 (E_RNA) where: Base-Base interactions energy: -1260.460 where: short stacking energy: -555.192 Base-Backbone interact. energy: -0.995 local terms energy: -627.002725 where: bonds (distance) C4'-P energy: -119.749 bonds (distance) P-C4' energy: -114.547 flat angles C4'-P-C4' energy: -123.225 flat angles P-C4'-P energy: -102.403 tors. eta vs tors. theta energy: -167.079 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: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1769.573507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.573507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.573507 (E_RNA) where: Base-Base interactions energy: -1176.284 where: short stacking energy: -534.997 Base-Backbone interact. energy: -1.523 local terms energy: -591.767383 where: bonds (distance) C4'-P energy: -111.511 bonds (distance) P-C4' energy: -114.052 flat angles C4'-P-C4' energy: -133.077 flat angles P-C4'-P energy: -88.639 tors. eta vs tors. theta energy: -144.489 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: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1677.098887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.098887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.098887 (E_RNA) where: Base-Base interactions energy: -1122.178 where: short stacking energy: -484.659 Base-Backbone interact. energy: -4.550 local terms energy: -550.370073 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -98.804 flat angles C4'-P-C4' energy: -116.678 flat angles P-C4'-P energy: -77.384 tors. eta vs tors. theta energy: -144.770 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: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1624.092758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.092758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.092758 (E_RNA) where: Base-Base interactions energy: -1083.435 where: short stacking energy: -463.542 Base-Backbone interact. energy: -3.190 local terms energy: -537.467755 where: bonds (distance) C4'-P energy: -101.903 bonds (distance) P-C4' energy: -114.418 flat angles C4'-P-C4' energy: -112.473 flat angles P-C4'-P energy: -73.129 tors. eta vs tors. theta energy: -135.545 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: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1314.046248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.046248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.046248 (E_RNA) where: Base-Base interactions energy: -879.397 where: short stacking energy: -374.064 Base-Backbone interact. energy: 0.871 local terms energy: -435.520611 where: bonds (distance) C4'-P energy: -89.617 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -110.588 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -75.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1207.709976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.709976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.709976 (E_RNA) where: Base-Base interactions energy: -784.770 where: short stacking energy: -374.225 Base-Backbone interact. energy: -1.327 local terms energy: -421.612806 where: bonds (distance) C4'-P energy: -83.750 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -108.876 flat angles P-C4'-P energy: -58.910 tors. eta vs tors. theta energy: -70.976 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: 209 Temperature: 1.250000 Total energy: -1132.112838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.112838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.112838 (E_RNA) where: Base-Base interactions energy: -709.973 where: short stacking energy: -346.786 Base-Backbone interact. energy: -0.379 local terms energy: -421.761827 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -89.368 flat angles C4'-P-C4' energy: -100.286 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -79.716 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: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -825.010056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.010056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.010056 (E_RNA) where: Base-Base interactions energy: -443.556 where: short stacking energy: -237.157 Base-Backbone interact. energy: -0.536 local terms energy: -380.917613 where: bonds (distance) C4'-P energy: -90.543 bonds (distance) P-C4' energy: -96.403 flat angles C4'-P-C4' energy: -89.079 flat angles P-C4'-P energy: -64.174 tors. eta vs tors. theta energy: -40.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -545.280571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.280571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.280571 (E_RNA) where: Base-Base interactions energy: -232.276 where: short stacking energy: -161.782 Base-Backbone interact. energy: 4.796 local terms energy: -317.801016 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -103.323 flat angles C4'-P-C4' energy: -81.460 flat angles P-C4'-P energy: -58.572 tors. eta vs tors. theta energy: 17.996 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: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1956.981097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.981097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.981097 (E_RNA) where: Base-Base interactions energy: -1323.823 where: short stacking energy: -569.064 Base-Backbone interact. energy: -4.766 local terms energy: -628.392001 where: bonds (distance) C4'-P energy: -115.837 bonds (distance) P-C4' energy: -132.428 flat angles C4'-P-C4' energy: -126.840 flat angles P-C4'-P energy: -90.478 tors. eta vs tors. theta energy: -162.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1865.266240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.266240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.266240 (E_RNA) where: Base-Base interactions energy: -1253.364 where: short stacking energy: -549.697 Base-Backbone interact. energy: -1.194 local terms energy: -610.708667 where: bonds (distance) C4'-P energy: -119.314 bonds (distance) P-C4' energy: -116.922 flat angles C4'-P-C4' energy: -130.111 flat angles P-C4'-P energy: -84.035 tors. eta vs tors. theta energy: -160.328 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: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1765.389644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.389644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.389644 (E_RNA) where: Base-Base interactions energy: -1216.014 where: short stacking energy: -534.018 Base-Backbone interact. energy: -1.063 local terms energy: -548.312451 where: bonds (distance) C4'-P energy: -99.090 bonds (distance) P-C4' energy: -106.606 flat angles C4'-P-C4' energy: -113.776 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: -155.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1690.717873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.717873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.717873 (E_RNA) where: Base-Base interactions energy: -1128.865 where: short stacking energy: -470.241 Base-Backbone interact. energy: -1.599 local terms energy: -560.253165 where: bonds (distance) C4'-P energy: -116.070 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -116.584 flat angles P-C4'-P energy: -85.298 tors. eta vs tors. theta energy: -127.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1641.252670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.252670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.252670 (E_RNA) where: Base-Base interactions energy: -1103.766 where: short stacking energy: -481.241 Base-Backbone interact. energy: -0.452 local terms energy: -537.034219 where: bonds (distance) C4'-P energy: -109.234 bonds (distance) P-C4' energy: -102.587 flat angles C4'-P-C4' energy: -119.040 flat angles P-C4'-P energy: -73.129 tors. eta vs tors. theta energy: -133.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1276.574140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.574140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.574140 (E_RNA) where: Base-Base interactions energy: -852.928 where: short stacking energy: -360.313 Base-Backbone interact. energy: -1.324 local terms energy: -422.322629 where: bonds (distance) C4'-P energy: -85.728 bonds (distance) P-C4' energy: -95.475 flat angles C4'-P-C4' energy: -101.187 flat angles P-C4'-P energy: -59.140 tors. eta vs tors. theta energy: -80.793 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: 210 Temperature: 1.200000 Total energy: -1175.718447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.718447 (E_RNA) where: Base-Base interactions energy: -737.218 where: short stacking energy: -355.826 Base-Backbone interact. energy: -3.557 local terms energy: -434.943635 where: bonds (distance) C4'-P energy: -104.062 bonds (distance) P-C4' energy: -105.610 flat angles C4'-P-C4' energy: -99.972 flat angles P-C4'-P energy: -56.477 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: 8, replica: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1161.006318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.006318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.006318 (E_RNA) where: Base-Base interactions energy: -745.270 where: short stacking energy: -373.412 Base-Backbone interact. energy: -1.662 local terms energy: -414.074764 where: bonds (distance) C4'-P energy: -87.244 bonds (distance) P-C4' energy: -96.971 flat angles C4'-P-C4' energy: -81.821 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -77.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -896.521161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.521161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.521161 (E_RNA) where: Base-Base interactions energy: -523.639 where: short stacking energy: -243.579 Base-Backbone interact. energy: -0.621 local terms energy: -372.260653 where: bonds (distance) C4'-P energy: -82.057 bonds (distance) P-C4' energy: -94.905 flat angles C4'-P-C4' energy: -93.090 flat angles P-C4'-P energy: -72.262 tors. eta vs tors. theta energy: -29.946 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: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -563.638739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.638739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.638739 (E_RNA) where: Base-Base interactions energy: -251.266 where: short stacking energy: -146.844 Base-Backbone interact. energy: 3.061 local terms energy: -315.433330 where: bonds (distance) C4'-P energy: -98.617 bonds (distance) P-C4' energy: -74.857 flat angles C4'-P-C4' energy: -85.814 flat angles P-C4'-P energy: -52.859 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1942.707177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.707177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.707177 (E_RNA) where: Base-Base interactions energy: -1314.446 where: short stacking energy: -559.443 Base-Backbone interact. energy: -5.003 local terms energy: -623.258009 where: bonds (distance) C4'-P energy: -122.615 bonds (distance) P-C4' energy: -116.379 flat angles C4'-P-C4' energy: -135.533 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -167.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1864.219769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.219769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.219769 (E_RNA) where: Base-Base interactions energy: -1294.945 where: short stacking energy: -552.796 Base-Backbone interact. energy: -1.537 local terms energy: -567.738397 where: bonds (distance) C4'-P energy: -110.242 bonds (distance) P-C4' energy: -93.926 flat angles C4'-P-C4' energy: -125.388 flat angles P-C4'-P energy: -79.349 tors. eta vs tors. theta energy: -158.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1763.682570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.682570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.682570 (E_RNA) where: Base-Base interactions energy: -1203.268 where: short stacking energy: -528.734 Base-Backbone interact. energy: -0.891 local terms energy: -559.523741 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -122.124 flat angles P-C4'-P energy: -83.286 tors. eta vs tors. theta energy: -139.670 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: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1691.327301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.327301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.327301 (E_RNA) where: Base-Base interactions energy: -1130.430 where: short stacking energy: -513.619 Base-Backbone interact. energy: -0.165 local terms energy: -560.732160 where: bonds (distance) C4'-P energy: -109.767 bonds (distance) P-C4' energy: -111.043 flat angles C4'-P-C4' energy: -116.370 flat angles P-C4'-P energy: -78.205 tors. eta vs tors. theta energy: -145.348 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: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1646.749727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.749727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.749727 (E_RNA) where: Base-Base interactions energy: -1117.422 where: short stacking energy: -470.645 Base-Backbone interact. energy: -2.220 local terms energy: -527.107735 where: bonds (distance) C4'-P energy: -96.254 bonds (distance) P-C4' energy: -97.653 flat angles C4'-P-C4' energy: -115.170 flat angles P-C4'-P energy: -80.487 tors. eta vs tors. theta energy: -137.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1229.004518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.004518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.004518 (E_RNA) where: Base-Base interactions energy: -774.069 where: short stacking energy: -360.283 Base-Backbone interact. energy: -1.994 local terms energy: -452.941023 where: bonds (distance) C4'-P energy: -86.950 bonds (distance) P-C4' energy: -110.931 flat angles C4'-P-C4' energy: -94.109 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -87.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1224.377167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.377167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.377167 (E_RNA) where: Base-Base interactions energy: -795.263 where: short stacking energy: -354.832 Base-Backbone interact. energy: -4.395 local terms energy: -424.718775 where: bonds (distance) C4'-P energy: -96.440 bonds (distance) P-C4' energy: -81.607 flat angles C4'-P-C4' energy: -97.129 flat angles P-C4'-P energy: -72.977 tors. eta vs tors. theta energy: -76.566 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: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1213.870767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.870767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.870767 (E_RNA) where: Base-Base interactions energy: -764.177 where: short stacking energy: -351.723 Base-Backbone interact. energy: 2.208 local terms energy: -451.901584 where: bonds (distance) C4'-P energy: -81.446 bonds (distance) P-C4' energy: -108.574 flat angles C4'-P-C4' energy: -103.432 flat angles P-C4'-P energy: -61.300 tors. eta vs tors. theta energy: -97.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -866.437179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.437179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.437179 (E_RNA) where: Base-Base interactions energy: -488.700 where: short stacking energy: -231.399 Base-Backbone interact. energy: -0.241 local terms energy: -377.496548 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -97.083 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -54.476 tors. eta vs tors. theta energy: -36.411 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: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -551.196508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.196508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.196508 (E_RNA) where: Base-Base interactions energy: -244.526 where: short stacking energy: -146.292 Base-Backbone interact. energy: 5.636 local terms energy: -312.306380 where: bonds (distance) C4'-P energy: -83.539 bonds (distance) P-C4' energy: -116.700 flat angles C4'-P-C4' energy: -77.429 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: 4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1917.246864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.246864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.246864 (E_RNA) where: Base-Base interactions energy: -1311.762 where: short stacking energy: -569.663 Base-Backbone interact. energy: -2.107 local terms energy: -603.378057 where: bonds (distance) C4'-P energy: -106.464 bonds (distance) P-C4' energy: -119.163 flat angles C4'-P-C4' energy: -126.276 flat angles P-C4'-P energy: -90.952 tors. eta vs tors. theta energy: -160.523 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: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1905.818260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.818260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.818260 (E_RNA) where: Base-Base interactions energy: -1281.199 where: short stacking energy: -576.446 Base-Backbone interact. energy: -0.041 local terms energy: -624.578501 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -116.886 flat angles C4'-P-C4' energy: -128.654 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: -170.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1800.888610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.888610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.888610 (E_RNA) where: Base-Base interactions energy: -1216.762 where: short stacking energy: -532.405 Base-Backbone interact. energy: -2.880 local terms energy: -581.246317 where: bonds (distance) C4'-P energy: -114.028 bonds (distance) P-C4' energy: -103.067 flat angles C4'-P-C4' energy: -124.802 flat angles P-C4'-P energy: -86.029 tors. eta vs tors. theta energy: -153.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1674.921036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.921036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.921036 (E_RNA) where: Base-Base interactions energy: -1112.884 where: short stacking energy: -514.829 Base-Backbone interact. energy: -2.466 local terms energy: -559.571360 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -105.771 flat angles C4'-P-C4' energy: -129.509 flat angles P-C4'-P energy: -86.442 tors. eta vs tors. theta energy: -143.057 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: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1562.305453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.305453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.305453 (E_RNA) where: Base-Base interactions energy: -1035.836 where: short stacking energy: -456.470 Base-Backbone interact. energy: -1.740 local terms energy: -524.728769 where: bonds (distance) C4'-P energy: -111.590 bonds (distance) P-C4' energy: -109.347 flat angles C4'-P-C4' energy: -106.159 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -127.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1245.487749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.487749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.487749 (E_RNA) where: Base-Base interactions energy: -811.018 where: short stacking energy: -371.154 Base-Backbone interact. energy: 0.580 local terms energy: -435.050155 where: bonds (distance) C4'-P energy: -98.953 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -90.176 flat angles P-C4'-P energy: -51.459 tors. eta vs tors. theta energy: -83.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1167.548084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.548084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.548084 (E_RNA) where: Base-Base interactions energy: -734.817 where: short stacking energy: -349.838 Base-Backbone interact. energy: -0.781 local terms energy: -431.949281 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -100.162 flat angles C4'-P-C4' energy: -91.324 flat angles P-C4'-P energy: -62.925 tors. eta vs tors. theta energy: -89.498 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: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1001.811885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.811885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.811885 (E_RNA) where: Base-Base interactions energy: -616.702 where: short stacking energy: -287.877 Base-Backbone interact. energy: -0.574 local terms energy: -384.536374 where: bonds (distance) C4'-P energy: -80.829 bonds (distance) P-C4' energy: -97.597 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -50.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -848.513218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.513218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.513218 (E_RNA) where: Base-Base interactions energy: -455.281 where: short stacking energy: -226.532 Base-Backbone interact. energy: -2.893 local terms energy: -390.339225 where: bonds (distance) C4'-P energy: -86.318 bonds (distance) P-C4' energy: -112.174 flat angles C4'-P-C4' energy: -102.589 flat angles P-C4'-P energy: -63.944 tors. eta vs tors. theta energy: -25.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -575.087786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.087786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.087786 (E_RNA) where: Base-Base interactions energy: -236.894 where: short stacking energy: -153.491 Base-Backbone interact. energy: -1.504 local terms energy: -336.690338 where: bonds (distance) C4'-P energy: -96.639 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -88.524 flat angles P-C4'-P energy: -58.229 tors. eta vs tors. theta energy: 2.900 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: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1924.531153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.531153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.531153 (E_RNA) where: Base-Base interactions energy: -1311.508 where: short stacking energy: -573.535 Base-Backbone interact. energy: -4.202 local terms energy: -608.821405 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -130.309 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -170.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1901.709926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.709926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.709926 (E_RNA) where: Base-Base interactions energy: -1270.336 where: short stacking energy: -574.274 Base-Backbone interact. energy: -3.000 local terms energy: -628.374043 where: bonds (distance) C4'-P energy: -127.986 bonds (distance) P-C4' energy: -121.655 flat angles C4'-P-C4' energy: -134.507 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: -165.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1775.982655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.982655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.982655 (E_RNA) where: Base-Base interactions energy: -1190.293 where: short stacking energy: -528.529 Base-Backbone interact. energy: -1.870 local terms energy: -583.819255 where: bonds (distance) C4'-P energy: -108.344 bonds (distance) P-C4' energy: -105.837 flat angles C4'-P-C4' energy: -120.747 flat angles P-C4'-P energy: -91.704 tors. eta vs tors. theta energy: -157.187 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: 213 Temperature: 1.050000 Total energy: -1670.988828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.988828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.988828 (E_RNA) where: Base-Base interactions energy: -1133.672 where: short stacking energy: -530.354 Base-Backbone interact. energy: -2.049 local terms energy: -535.267651 where: bonds (distance) C4'-P energy: -90.346 bonds (distance) P-C4' energy: -108.682 flat angles C4'-P-C4' energy: -123.048 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -139.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1535.344390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.344390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.344390 (E_RNA) where: Base-Base interactions energy: -1004.793 where: short stacking energy: -425.851 Base-Backbone interact. energy: -0.450 local terms energy: -530.100668 where: bonds (distance) C4'-P energy: -110.218 bonds (distance) P-C4' energy: -113.376 flat angles C4'-P-C4' energy: -121.335 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: -120.323 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: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1233.946112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.946112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.946112 (E_RNA) where: Base-Base interactions energy: -761.665 where: short stacking energy: -352.233 Base-Backbone interact. energy: 0.354 local terms energy: -472.635308 where: bonds (distance) C4'-P energy: -108.401 bonds (distance) P-C4' energy: -96.904 flat angles C4'-P-C4' energy: -100.518 flat angles P-C4'-P energy: -81.088 tors. eta vs tors. theta energy: -85.723 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: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1115.710082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.710082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.710082 (E_RNA) where: Base-Base interactions energy: -682.972 where: short stacking energy: -322.774 Base-Backbone interact. energy: -0.865 local terms energy: -431.873115 where: bonds (distance) C4'-P energy: -104.325 bonds (distance) P-C4' energy: -98.475 flat angles C4'-P-C4' energy: -114.115 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -63.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1170.835348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.835348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.835348 (E_RNA) where: Base-Base interactions energy: -731.872 where: short stacking energy: -349.640 Base-Backbone interact. energy: -2.261 local terms energy: -436.702665 where: bonds (distance) C4'-P energy: -96.694 bonds (distance) P-C4' energy: -87.037 flat angles C4'-P-C4' energy: -106.957 flat angles P-C4'-P energy: -73.373 tors. eta vs tors. theta energy: -72.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -938.838603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.838603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.838603 (E_RNA) where: Base-Base interactions energy: -587.710 where: short stacking energy: -279.080 Base-Backbone interact. energy: 7.669 local terms energy: -358.798064 where: bonds (distance) C4'-P energy: -83.002 bonds (distance) P-C4' energy: -109.010 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -33.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -555.222426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.222426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.222426 (E_RNA) where: Base-Base interactions energy: -252.750 where: short stacking energy: -165.926 Base-Backbone interact. energy: -1.501 local terms energy: -300.971586 where: bonds (distance) C4'-P energy: -104.625 bonds (distance) P-C4' energy: -78.045 flat angles C4'-P-C4' energy: -70.340 flat angles P-C4'-P energy: -44.718 tors. eta vs tors. theta energy: -3.244 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: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1900.890524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.890524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.890524 (E_RNA) where: Base-Base interactions energy: -1289.155 where: short stacking energy: -562.585 Base-Backbone interact. energy: -2.513 local terms energy: -609.222782 where: bonds (distance) C4'-P energy: -116.574 bonds (distance) P-C4' energy: -116.721 flat angles C4'-P-C4' energy: -133.175 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -156.096 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: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1934.096919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.096919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.096919 (E_RNA) where: Base-Base interactions energy: -1310.562 where: short stacking energy: -575.558 Base-Backbone interact. energy: -1.278 local terms energy: -622.256927 where: bonds (distance) C4'-P energy: -121.003 bonds (distance) P-C4' energy: -116.441 flat angles C4'-P-C4' energy: -135.611 flat angles P-C4'-P energy: -78.071 tors. eta vs tors. theta energy: -171.131 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: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1768.897103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.897103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.897103 (E_RNA) where: Base-Base interactions energy: -1175.786 where: short stacking energy: -550.948 Base-Backbone interact. energy: -1.067 local terms energy: -592.044109 where: bonds (distance) C4'-P energy: -120.669 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -127.306 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -153.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1654.878310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.878310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.878310 (E_RNA) where: Base-Base interactions energy: -1126.663 where: short stacking energy: -486.802 Base-Backbone interact. energy: 0.339 local terms energy: -528.554812 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -109.021 flat angles C4'-P-C4' energy: -128.903 flat angles P-C4'-P energy: -72.284 tors. eta vs tors. theta energy: -129.220 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: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1506.675841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.675841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.675841 (E_RNA) where: Base-Base interactions energy: -1028.653 where: short stacking energy: -440.407 Base-Backbone interact. energy: -0.521 local terms energy: -477.501277 where: bonds (distance) C4'-P energy: -87.670 bonds (distance) P-C4' energy: -98.801 flat angles C4'-P-C4' energy: -114.663 flat angles P-C4'-P energy: -71.313 tors. eta vs tors. theta energy: -105.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1235.174174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.174174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.174174 (E_RNA) where: Base-Base interactions energy: -751.254 where: short stacking energy: -359.989 Base-Backbone interact. energy: 0.802 local terms energy: -484.721654 where: bonds (distance) C4'-P energy: -95.609 bonds (distance) P-C4' energy: -106.740 flat angles C4'-P-C4' energy: -107.426 flat angles P-C4'-P energy: -85.595 tors. eta vs tors. theta energy: -89.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1172.281410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.281410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.281410 (E_RNA) where: Base-Base interactions energy: -753.047 where: short stacking energy: -330.244 Base-Backbone interact. energy: -0.080 local terms energy: -419.154647 where: bonds (distance) C4'-P energy: -96.686 bonds (distance) P-C4' energy: -79.401 flat angles C4'-P-C4' energy: -117.054 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -62.240 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: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1151.608590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.608590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.608590 (E_RNA) where: Base-Base interactions energy: -752.679 where: short stacking energy: -312.653 Base-Backbone interact. energy: 1.849 local terms energy: -400.778080 where: bonds (distance) C4'-P energy: -88.495 bonds (distance) P-C4' energy: -103.978 flat angles C4'-P-C4' energy: -83.617 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -72.562 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: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -908.249401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.249401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.249401 (E_RNA) where: Base-Base interactions energy: -535.918 where: short stacking energy: -250.485 Base-Backbone interact. energy: -2.151 local terms energy: -370.179812 where: bonds (distance) C4'-P energy: -76.752 bonds (distance) P-C4' energy: -91.084 flat angles C4'-P-C4' energy: -104.336 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -41.158 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: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -588.391017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.391017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.391017 (E_RNA) where: Base-Base interactions energy: -267.096 where: short stacking energy: -179.997 Base-Backbone interact. energy: 0.796 local terms energy: -322.090701 where: bonds (distance) C4'-P energy: -87.273 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -77.112 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1919.157485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.157485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.157485 (E_RNA) where: Base-Base interactions energy: -1288.121 where: short stacking energy: -561.654 Base-Backbone interact. energy: -5.723 local terms energy: -625.313300 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -127.153 flat angles C4'-P-C4' energy: -131.112 flat angles P-C4'-P energy: -93.485 tors. eta vs tors. theta energy: -160.302 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: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1917.162218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.162218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.162218 (E_RNA) where: Base-Base interactions energy: -1309.136 where: short stacking energy: -582.716 Base-Backbone interact. energy: -1.327 local terms energy: -606.700115 where: bonds (distance) C4'-P energy: -105.734 bonds (distance) P-C4' energy: -106.180 flat angles C4'-P-C4' energy: -128.211 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -168.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1784.860259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.860259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.860259 (E_RNA) where: Base-Base interactions energy: -1208.810 where: short stacking energy: -532.765 Base-Backbone interact. energy: -3.630 local terms energy: -572.419698 where: bonds (distance) C4'-P energy: -103.902 bonds (distance) P-C4' energy: -101.658 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -77.027 tors. eta vs tors. theta energy: -153.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1692.111578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.111578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.111578 (E_RNA) where: Base-Base interactions energy: -1135.047 where: short stacking energy: -502.670 Base-Backbone interact. energy: -3.576 local terms energy: -553.488334 where: bonds (distance) C4'-P energy: -101.275 bonds (distance) P-C4' energy: -110.168 flat angles C4'-P-C4' energy: -131.433 flat angles P-C4'-P energy: -66.900 tors. eta vs tors. theta energy: -143.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1505.515631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.515631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.515631 (E_RNA) where: Base-Base interactions energy: -1010.652 where: short stacking energy: -427.364 Base-Backbone interact. energy: -2.832 local terms energy: -492.031500 where: bonds (distance) C4'-P energy: -109.583 bonds (distance) P-C4' energy: -111.633 flat angles C4'-P-C4' energy: -120.927 flat angles P-C4'-P energy: -52.732 tors. eta vs tors. theta energy: -97.157 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: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1215.951182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.951182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.951182 (E_RNA) where: Base-Base interactions energy: -766.415 where: short stacking energy: -337.862 Base-Backbone interact. energy: 1.375 local terms energy: -450.910762 where: bonds (distance) C4'-P energy: -91.260 bonds (distance) P-C4' energy: -97.352 flat angles C4'-P-C4' energy: -106.461 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -85.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1152.001517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.001517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.001517 (E_RNA) where: Base-Base interactions energy: -740.621 where: short stacking energy: -355.534 Base-Backbone interact. energy: -3.675 local terms energy: -407.705728 where: bonds (distance) C4'-P energy: -98.882 bonds (distance) P-C4' energy: -75.673 flat angles C4'-P-C4' energy: -90.931 flat angles P-C4'-P energy: -66.041 tors. eta vs tors. theta energy: -76.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1131.609939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.609939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.609939 (E_RNA) where: Base-Base interactions energy: -714.634 where: short stacking energy: -334.392 Base-Backbone interact. energy: -0.998 local terms energy: -415.978196 where: bonds (distance) C4'-P energy: -81.767 bonds (distance) P-C4' energy: -104.674 flat angles C4'-P-C4' energy: -109.782 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: -49.185 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: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -964.846804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.846804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.846804 (E_RNA) where: Base-Base interactions energy: -559.066 where: short stacking energy: -255.514 Base-Backbone interact. energy: -3.958 local terms energy: -401.822803 where: bonds (distance) C4'-P energy: -104.007 bonds (distance) P-C4' energy: -116.578 flat angles C4'-P-C4' energy: -85.732 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -36.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -540.831112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.831112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.831112 (E_RNA) where: Base-Base interactions energy: -235.743 where: short stacking energy: -125.278 Base-Backbone interact. energy: 0.427 local terms energy: -305.514762 where: bonds (distance) C4'-P energy: -82.939 bonds (distance) P-C4' energy: -92.490 flat angles C4'-P-C4' energy: -90.945 flat angles P-C4'-P energy: -53.017 tors. eta vs tors. theta energy: 13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1935.898349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.898349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.898349 (E_RNA) where: Base-Base interactions energy: -1319.578 where: short stacking energy: -575.948 Base-Backbone interact. energy: -1.157 local terms energy: -615.164272 where: bonds (distance) C4'-P energy: -115.023 bonds (distance) P-C4' energy: -107.090 flat angles C4'-P-C4' energy: -135.986 flat angles P-C4'-P energy: -79.835 tors. eta vs tors. theta energy: -177.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1907.305415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.305415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.305415 (E_RNA) where: Base-Base interactions energy: -1299.222 where: short stacking energy: -588.926 Base-Backbone interact. energy: -3.940 local terms energy: -604.144043 where: bonds (distance) C4'-P energy: -105.394 bonds (distance) P-C4' energy: -110.296 flat angles C4'-P-C4' energy: -134.206 flat angles P-C4'-P energy: -78.733 tors. eta vs tors. theta energy: -175.515 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: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1839.572047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.572047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.572047 (E_RNA) where: Base-Base interactions energy: -1243.719 where: short stacking energy: -563.426 Base-Backbone interact. energy: -3.300 local terms energy: -592.552951 where: bonds (distance) C4'-P energy: -105.424 bonds (distance) P-C4' energy: -115.956 flat angles C4'-P-C4' energy: -131.031 flat angles P-C4'-P energy: -78.144 tors. eta vs tors. theta energy: -161.997 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: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1643.851146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.851146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.851146 (E_RNA) where: Base-Base interactions energy: -1121.679 where: short stacking energy: -493.035 Base-Backbone interact. energy: -0.169 local terms energy: -522.003120 where: bonds (distance) C4'-P energy: -98.324 bonds (distance) P-C4' energy: -98.062 flat angles C4'-P-C4' energy: -112.148 flat angles P-C4'-P energy: -81.645 tors. eta vs tors. theta energy: -131.824 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: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1437.754343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.754343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.754343 (E_RNA) where: Base-Base interactions energy: -960.755 where: short stacking energy: -423.881 Base-Backbone interact. energy: -0.819 local terms energy: -476.180169 where: bonds (distance) C4'-P energy: -82.644 bonds (distance) P-C4' energy: -103.461 flat angles C4'-P-C4' energy: -108.509 flat angles P-C4'-P energy: -78.627 tors. eta vs tors. theta energy: -102.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1207.309754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.309754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.309754 (E_RNA) where: Base-Base interactions energy: -752.082 where: short stacking energy: -338.071 Base-Backbone interact. energy: -3.019 local terms energy: -452.209025 where: bonds (distance) C4'-P energy: -91.296 bonds (distance) P-C4' energy: -103.256 flat angles C4'-P-C4' energy: -106.257 flat angles P-C4'-P energy: -76.985 tors. eta vs tors. theta energy: -74.415 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: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1216.727661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.727661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.727661 (E_RNA) where: Base-Base interactions energy: -793.770 where: short stacking energy: -346.637 Base-Backbone interact. energy: -2.224 local terms energy: -420.733421 where: bonds (distance) C4'-P energy: -93.388 bonds (distance) P-C4' energy: -101.689 flat angles C4'-P-C4' energy: -87.301 flat angles P-C4'-P energy: -49.703 tors. eta vs tors. theta energy: -88.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1100.175095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.175095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.175095 (E_RNA) where: Base-Base interactions energy: -694.787 where: short stacking energy: -312.242 Base-Backbone interact. energy: 2.921 local terms energy: -408.308600 where: bonds (distance) C4'-P energy: -85.009 bonds (distance) P-C4' energy: -113.848 flat angles C4'-P-C4' energy: -96.941 flat angles P-C4'-P energy: -56.321 tors. eta vs tors. theta energy: -56.190 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: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -891.892457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.892457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.892457 (E_RNA) where: Base-Base interactions energy: -541.747 where: short stacking energy: -262.970 Base-Backbone interact. energy: 1.695 local terms energy: -351.840154 where: bonds (distance) C4'-P energy: -78.227 bonds (distance) P-C4' energy: -96.763 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -26.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -518.426305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.426305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.426305 (E_RNA) where: Base-Base interactions energy: -228.360 where: short stacking energy: -162.710 Base-Backbone interact. energy: 1.114 local terms energy: -291.180079 where: bonds (distance) C4'-P energy: -89.484 bonds (distance) P-C4' energy: -92.691 flat angles C4'-P-C4' energy: -77.962 flat angles P-C4'-P energy: -50.151 tors. eta vs tors. theta energy: 19.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1926.623031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.623031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.623031 (E_RNA) where: Base-Base interactions energy: -1335.892 where: short stacking energy: -593.379 Base-Backbone interact. energy: -3.481 local terms energy: -587.249551 where: bonds (distance) C4'-P energy: -117.531 bonds (distance) P-C4' energy: -99.698 flat angles C4'-P-C4' energy: -132.561 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -159.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1877.749194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.749194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.749194 (E_RNA) where: Base-Base interactions energy: -1269.680 where: short stacking energy: -581.060 Base-Backbone interact. energy: -1.005 local terms energy: -607.063714 where: bonds (distance) C4'-P energy: -117.511 bonds (distance) P-C4' energy: -118.868 flat angles C4'-P-C4' energy: -121.790 flat angles P-C4'-P energy: -78.799 tors. eta vs tors. theta energy: -170.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1864.366343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.366343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.366343 (E_RNA) where: Base-Base interactions energy: -1269.710 where: short stacking energy: -567.433 Base-Backbone interact. energy: -2.331 local terms energy: -592.324911 where: bonds (distance) C4'-P energy: -101.163 bonds (distance) P-C4' energy: -107.842 flat angles C4'-P-C4' energy: -132.672 flat angles P-C4'-P energy: -78.916 tors. eta vs tors. theta energy: -171.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1646.796705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.796705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.796705 (E_RNA) where: Base-Base interactions energy: -1109.996 where: short stacking energy: -517.206 Base-Backbone interact. energy: -2.077 local terms energy: -534.723144 where: bonds (distance) C4'-P energy: -97.683 bonds (distance) P-C4' energy: -108.876 flat angles C4'-P-C4' energy: -109.428 flat angles P-C4'-P energy: -73.735 tors. eta vs tors. theta energy: -145.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1468.014684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.014684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.014684 (E_RNA) where: Base-Base interactions energy: -959.665 where: short stacking energy: -412.477 Base-Backbone interact. energy: -2.916 local terms energy: -505.433819 where: bonds (distance) C4'-P energy: -97.719 bonds (distance) P-C4' energy: -112.296 flat angles C4'-P-C4' energy: -115.410 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: -104.414 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: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1302.047730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.047730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.047730 (E_RNA) where: Base-Base interactions energy: -846.958 where: short stacking energy: -376.123 Base-Backbone interact. energy: -0.880 local terms energy: -454.210031 where: bonds (distance) C4'-P energy: -94.184 bonds (distance) P-C4' energy: -100.294 flat angles C4'-P-C4' energy: -98.270 flat angles P-C4'-P energy: -71.313 tors. eta vs tors. theta energy: -90.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1173.190908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.190908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.190908 (E_RNA) where: Base-Base interactions energy: -759.963 where: short stacking energy: -373.242 Base-Backbone interact. energy: -2.344 local terms energy: -410.884370 where: bonds (distance) C4'-P energy: -78.922 bonds (distance) P-C4' energy: -91.393 flat angles C4'-P-C4' energy: -99.513 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: -76.474 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: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1150.717178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.717178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.717178 (E_RNA) where: Base-Base interactions energy: -720.451 where: short stacking energy: -353.603 Base-Backbone interact. energy: 0.838 local terms energy: -431.103384 where: bonds (distance) C4'-P energy: -92.837 bonds (distance) P-C4' energy: -103.040 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -57.303 tors. eta vs tors. theta energy: -70.478 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: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -879.338569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.338569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.338569 (E_RNA) where: Base-Base interactions energy: -519.218 where: short stacking energy: -270.349 Base-Backbone interact. energy: -0.516 local terms energy: -359.604530 where: bonds (distance) C4'-P energy: -75.333 bonds (distance) P-C4' energy: -96.015 flat angles C4'-P-C4' energy: -87.875 flat angles P-C4'-P energy: -52.631 tors. eta vs tors. theta energy: -47.751 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: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -598.427380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.427380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.427380 (E_RNA) where: Base-Base interactions energy: -284.473 where: short stacking energy: -163.691 Base-Backbone interact. energy: -1.935 local terms energy: -312.018810 where: bonds (distance) C4'-P energy: -93.326 bonds (distance) P-C4' energy: -87.836 flat angles C4'-P-C4' energy: -82.989 flat angles P-C4'-P energy: -64.084 tors. eta vs tors. theta energy: 16.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1934.549083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.549083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.549083 (E_RNA) where: Base-Base interactions energy: -1298.073 where: short stacking energy: -573.231 Base-Backbone interact. energy: -5.137 local terms energy: -631.338744 where: bonds (distance) C4'-P energy: -123.741 bonds (distance) P-C4' energy: -116.824 flat angles C4'-P-C4' energy: -135.301 flat angles P-C4'-P energy: -88.295 tors. eta vs tors. theta energy: -167.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1867.105814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.105814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.105814 (E_RNA) where: Base-Base interactions energy: -1266.508 where: short stacking energy: -554.449 Base-Backbone interact. energy: -2.958 local terms energy: -597.639704 where: bonds (distance) C4'-P energy: -108.824 bonds (distance) P-C4' energy: -110.866 flat angles C4'-P-C4' energy: -135.460 flat angles P-C4'-P energy: -88.040 tors. eta vs tors. theta energy: -154.450 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: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1853.364610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.364610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.364610 (E_RNA) where: Base-Base interactions energy: -1272.177 where: short stacking energy: -561.659 Base-Backbone interact. energy: 1.228 local terms energy: -582.416187 where: bonds (distance) C4'-P energy: -109.564 bonds (distance) P-C4' energy: -122.416 flat angles C4'-P-C4' energy: -108.972 flat angles P-C4'-P energy: -76.916 tors. eta vs tors. theta energy: -164.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1671.069490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.069490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.069490 (E_RNA) where: Base-Base interactions energy: -1135.291 where: short stacking energy: -492.290 Base-Backbone interact. energy: -2.907 local terms energy: -532.871466 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -110.175 flat angles C4'-P-C4' energy: -118.234 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -143.906 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: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1484.723524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.723524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.723524 (E_RNA) where: Base-Base interactions energy: -987.223 where: short stacking energy: -418.952 Base-Backbone interact. energy: 2.188 local terms energy: -499.689086 where: bonds (distance) C4'-P energy: -94.732 bonds (distance) P-C4' energy: -112.976 flat angles C4'-P-C4' energy: -111.549 flat angles P-C4'-P energy: -78.587 tors. eta vs tors. theta energy: -101.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1255.734863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.734863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.734863 (E_RNA) where: Base-Base interactions energy: -806.087 where: short stacking energy: -376.532 Base-Backbone interact. energy: 0.634 local terms energy: -450.282346 where: bonds (distance) C4'-P energy: -84.529 bonds (distance) P-C4' energy: -106.936 flat angles C4'-P-C4' energy: -107.863 flat angles P-C4'-P energy: -60.809 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: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1176.330156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.330156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.330156 (E_RNA) where: Base-Base interactions energy: -730.222 where: short stacking energy: -346.206 Base-Backbone interact. energy: 2.841 local terms energy: -448.949252 where: bonds (distance) C4'-P energy: -100.440 bonds (distance) P-C4' energy: -86.697 flat angles C4'-P-C4' energy: -101.321 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: -88.068 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: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1157.493021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.493021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.493021 (E_RNA) where: Base-Base interactions energy: -744.107 where: short stacking energy: -336.106 Base-Backbone interact. energy: -2.785 local terms energy: -410.600730 where: bonds (distance) C4'-P energy: -84.292 bonds (distance) P-C4' energy: -87.193 flat angles C4'-P-C4' energy: -112.882 flat angles P-C4'-P energy: -50.141 tors. eta vs tors. theta energy: -76.092 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: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -857.657808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.657808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.657808 (E_RNA) where: Base-Base interactions energy: -511.015 where: short stacking energy: -244.832 Base-Backbone interact. energy: 0.416 local terms energy: -347.058642 where: bonds (distance) C4'-P energy: -97.875 bonds (distance) P-C4' energy: -92.748 flat angles C4'-P-C4' energy: -78.376 flat angles P-C4'-P energy: -46.968 tors. eta vs tors. theta energy: -31.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -613.876678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.876678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.876678 (E_RNA) where: Base-Base interactions energy: -272.536 where: short stacking energy: -166.225 Base-Backbone interact. energy: -3.942 local terms energy: -337.398455 where: bonds (distance) C4'-P energy: -100.679 bonds (distance) P-C4' energy: -98.064 flat angles C4'-P-C4' energy: -86.023 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1953.621832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.621832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.621832 (E_RNA) where: Base-Base interactions energy: -1325.440 where: short stacking energy: -591.826 Base-Backbone interact. energy: 0.698 local terms energy: -628.879277 where: bonds (distance) C4'-P energy: -118.727 bonds (distance) P-C4' energy: -126.850 flat angles C4'-P-C4' energy: -123.351 flat angles P-C4'-P energy: -85.497 tors. eta vs tors. theta energy: -174.454 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: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1869.384149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.384149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.384149 (E_RNA) where: Base-Base interactions energy: -1254.738 where: short stacking energy: -537.714 Base-Backbone interact. energy: 0.237 local terms energy: -614.883478 where: bonds (distance) C4'-P energy: -117.739 bonds (distance) P-C4' energy: -121.273 flat angles C4'-P-C4' energy: -125.824 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -158.225 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: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1864.590063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.590063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.590063 (E_RNA) where: Base-Base interactions energy: -1266.196 where: short stacking energy: -569.468 Base-Backbone interact. energy: -1.756 local terms energy: -596.638137 where: bonds (distance) C4'-P energy: -114.431 bonds (distance) P-C4' energy: -119.172 flat angles C4'-P-C4' energy: -122.482 flat angles P-C4'-P energy: -81.726 tors. eta vs tors. theta energy: -158.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1706.021854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.021854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.021854 (E_RNA) where: Base-Base interactions energy: -1148.863 where: short stacking energy: -512.495 Base-Backbone interact. energy: -2.796 local terms energy: -554.363318 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -98.996 flat angles C4'-P-C4' energy: -124.122 flat angles P-C4'-P energy: -82.058 tors. eta vs tors. theta energy: -146.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1451.997866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.997866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.997866 (E_RNA) where: Base-Base interactions energy: -949.396 where: short stacking energy: -405.729 Base-Backbone interact. energy: 3.574 local terms energy: -506.175439 where: bonds (distance) C4'-P energy: -115.249 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -113.270 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -103.074 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: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1347.133078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.133078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.133078 (E_RNA) where: Base-Base interactions energy: -855.804 where: short stacking energy: -380.532 Base-Backbone interact. energy: 4.368 local terms energy: -495.696882 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -106.230 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -102.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1197.696087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.696087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.696087 (E_RNA) where: Base-Base interactions energy: -765.464 where: short stacking energy: -357.941 Base-Backbone interact. energy: -0.799 local terms energy: -431.432658 where: bonds (distance) C4'-P energy: -97.362 bonds (distance) P-C4' energy: -99.865 flat angles C4'-P-C4' energy: -97.451 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -72.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1119.906174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.906174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.906174 (E_RNA) where: Base-Base interactions energy: -724.095 where: short stacking energy: -302.318 Base-Backbone interact. energy: -0.794 local terms energy: -395.017344 where: bonds (distance) C4'-P energy: -93.585 bonds (distance) P-C4' energy: -104.493 flat angles C4'-P-C4' energy: -89.687 flat angles P-C4'-P energy: -48.308 tors. eta vs tors. theta energy: -58.944 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: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -823.927970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.927970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.927970 (E_RNA) where: Base-Base interactions energy: -462.620 where: short stacking energy: -234.621 Base-Backbone interact. energy: 2.509 local terms energy: -363.817590 where: bonds (distance) C4'-P energy: -73.937 bonds (distance) P-C4' energy: -86.846 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -73.736 tors. eta vs tors. theta energy: -40.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -627.256497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.256497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.256497 (E_RNA) where: Base-Base interactions energy: -322.940 where: short stacking energy: -172.956 Base-Backbone interact. energy: -0.398 local terms energy: -303.919381 where: bonds (distance) C4'-P energy: -102.805 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -90.133 flat angles P-C4'-P energy: -37.347 tors. eta vs tors. theta energy: 15.522 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: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1948.483629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.483629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.483629 (E_RNA) where: Base-Base interactions energy: -1322.204 where: short stacking energy: -581.456 Base-Backbone interact. energy: 2.945 local terms energy: -629.224548 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -112.928 flat angles C4'-P-C4' energy: -131.601 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -182.418 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: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1890.699185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.699185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.699185 (E_RNA) where: Base-Base interactions energy: -1278.054 where: short stacking energy: -566.657 Base-Backbone interact. energy: -1.421 local terms energy: -611.223518 where: bonds (distance) C4'-P energy: -107.278 bonds (distance) P-C4' energy: -122.866 flat angles C4'-P-C4' energy: -129.837 flat angles P-C4'-P energy: -83.506 tors. eta vs tors. theta energy: -167.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1853.821531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.821531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.821531 (E_RNA) where: Base-Base interactions energy: -1259.976 where: short stacking energy: -550.531 Base-Backbone interact. energy: 4.170 local terms energy: -598.015662 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -118.445 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -80.808 tors. eta vs tors. theta energy: -163.413 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: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1677.542535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.542535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.542535 (E_RNA) where: Base-Base interactions energy: -1139.542 where: short stacking energy: -506.777 Base-Backbone interact. energy: 0.663 local terms energy: -538.663292 where: bonds (distance) C4'-P energy: -87.499 bonds (distance) P-C4' energy: -118.136 flat angles C4'-P-C4' energy: -115.029 flat angles P-C4'-P energy: -78.395 tors. eta vs tors. theta energy: -139.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1494.792724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.792724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.792724 (E_RNA) where: Base-Base interactions energy: -1003.428 where: short stacking energy: -439.669 Base-Backbone interact. energy: 0.526 local terms energy: -491.891003 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -95.025 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -69.344 tors. eta vs tors. theta energy: -100.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1372.389619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.389619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.389619 (E_RNA) where: Base-Base interactions energy: -900.539 where: short stacking energy: -392.290 Base-Backbone interact. energy: -0.833 local terms energy: -471.017385 where: bonds (distance) C4'-P energy: -99.381 bonds (distance) P-C4' energy: -106.138 flat angles C4'-P-C4' energy: -109.208 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: -92.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1206.886143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.886143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.886143 (E_RNA) where: Base-Base interactions energy: -775.038 where: short stacking energy: -342.209 Base-Backbone interact. energy: 0.945 local terms energy: -432.793439 where: bonds (distance) C4'-P energy: -82.171 bonds (distance) P-C4' energy: -104.214 flat angles C4'-P-C4' energy: -106.337 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -70.810 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: 220 Temperature: 1.250000 Total energy: -1101.913221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.913221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.913221 (E_RNA) where: Base-Base interactions energy: -681.710 where: short stacking energy: -319.336 Base-Backbone interact. energy: -1.432 local terms energy: -418.771367 where: bonds (distance) C4'-P energy: -98.250 bonds (distance) P-C4' energy: -112.410 flat angles C4'-P-C4' energy: -93.853 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -73.540 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: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -851.477304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.477304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.477304 (E_RNA) where: Base-Base interactions energy: -508.793 where: short stacking energy: -217.809 Base-Backbone interact. energy: -2.433 local terms energy: -340.251468 where: bonds (distance) C4'-P energy: -90.551 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -94.148 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -13.771 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: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -600.418317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.418317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.418317 (E_RNA) where: Base-Base interactions energy: -295.084 where: short stacking energy: -164.433 Base-Backbone interact. energy: -0.131 local terms energy: -305.202611 where: bonds (distance) C4'-P energy: -85.080 bonds (distance) P-C4' energy: -95.932 flat angles C4'-P-C4' energy: -81.588 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: 1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1959.680643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.680643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.680643 (E_RNA) where: Base-Base interactions energy: -1339.691 where: short stacking energy: -579.486 Base-Backbone interact. energy: -6.514 local terms energy: -613.475556 where: bonds (distance) C4'-P energy: -108.304 bonds (distance) P-C4' energy: -118.817 flat angles C4'-P-C4' energy: -132.044 flat angles P-C4'-P energy: -79.037 tors. eta vs tors. theta energy: -175.273 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: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1887.676925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.676925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.676925 (E_RNA) where: Base-Base interactions energy: -1305.556 where: short stacking energy: -576.371 Base-Backbone interact. energy: 0.025 local terms energy: -582.145595 where: bonds (distance) C4'-P energy: -102.350 bonds (distance) P-C4' energy: -119.808 flat angles C4'-P-C4' energy: -117.714 flat angles P-C4'-P energy: -75.780 tors. eta vs tors. theta energy: -166.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1829.919307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.919307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.919307 (E_RNA) where: Base-Base interactions energy: -1227.372 where: short stacking energy: -549.573 Base-Backbone interact. energy: -0.652 local terms energy: -601.895257 where: bonds (distance) C4'-P energy: -101.119 bonds (distance) P-C4' energy: -114.501 flat angles C4'-P-C4' energy: -124.224 flat angles P-C4'-P energy: -95.034 tors. eta vs tors. theta energy: -167.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1676.667309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.667309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.667309 (E_RNA) where: Base-Base interactions energy: -1119.308 where: short stacking energy: -518.328 Base-Backbone interact. energy: 0.610 local terms energy: -557.968476 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -107.854 flat angles C4'-P-C4' energy: -119.137 flat angles P-C4'-P energy: -73.087 tors. eta vs tors. theta energy: -149.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1534.199303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.199303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.199303 (E_RNA) where: Base-Base interactions energy: -1020.702 where: short stacking energy: -434.661 Base-Backbone interact. energy: -2.118 local terms energy: -511.379016 where: bonds (distance) C4'-P energy: -100.766 bonds (distance) P-C4' energy: -105.591 flat angles C4'-P-C4' energy: -119.630 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: -112.367 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: 221 Temperature: 1.150000 Total energy: -1259.081876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.081876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.081876 (E_RNA) where: Base-Base interactions energy: -828.896 where: short stacking energy: -379.283 Base-Backbone interact. energy: -0.587 local terms energy: -429.599011 where: bonds (distance) C4'-P energy: -97.557 bonds (distance) P-C4' energy: -105.939 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -78.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1288.637650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.637650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.637650 (E_RNA) where: Base-Base interactions energy: -836.272 where: short stacking energy: -369.015 Base-Backbone interact. energy: -0.176 local terms energy: -452.189817 where: bonds (distance) C4'-P energy: -97.165 bonds (distance) P-C4' energy: -89.610 flat angles C4'-P-C4' energy: -112.249 flat angles P-C4'-P energy: -62.153 tors. eta vs tors. theta energy: -91.013 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: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1042.554942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.554942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.554942 (E_RNA) where: Base-Base interactions energy: -643.564 where: short stacking energy: -284.523 Base-Backbone interact. energy: -0.971 local terms energy: -398.020064 where: bonds (distance) C4'-P energy: -88.846 bonds (distance) P-C4' energy: -103.851 flat angles C4'-P-C4' energy: -93.821 flat angles P-C4'-P energy: -61.810 tors. eta vs tors. theta energy: -49.692 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: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -844.969179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.969179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.969179 (E_RNA) where: Base-Base interactions energy: -486.657 where: short stacking energy: -254.770 Base-Backbone interact. energy: 0.916 local terms energy: -359.228370 where: bonds (distance) C4'-P energy: -83.631 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -88.348 flat angles P-C4'-P energy: -60.857 tors. eta vs tors. theta energy: -28.590 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: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -556.068065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.068065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.068065 (E_RNA) where: Base-Base interactions energy: -255.713 where: short stacking energy: -169.321 Base-Backbone interact. energy: 0.612 local terms energy: -300.967164 where: bonds (distance) C4'-P energy: -89.922 bonds (distance) P-C4' energy: -84.470 flat angles C4'-P-C4' energy: -67.281 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: 7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1954.854789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.854789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.854789 (E_RNA) where: Base-Base interactions energy: -1320.726 where: short stacking energy: -582.673 Base-Backbone interact. energy: -2.514 local terms energy: -631.614522 where: bonds (distance) C4'-P energy: -116.055 bonds (distance) P-C4' energy: -122.833 flat angles C4'-P-C4' energy: -136.534 flat angles P-C4'-P energy: -89.126 tors. eta vs tors. theta energy: -167.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1909.408887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.408887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.408887 (E_RNA) where: Base-Base interactions energy: -1321.483 where: short stacking energy: -600.702 Base-Backbone interact. energy: -1.823 local terms energy: -586.103169 where: bonds (distance) C4'-P energy: -111.865 bonds (distance) P-C4' energy: -97.328 flat angles C4'-P-C4' energy: -131.188 flat angles P-C4'-P energy: -78.660 tors. eta vs tors. theta energy: -167.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1786.649847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.649847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.649847 (E_RNA) where: Base-Base interactions energy: -1208.264 where: short stacking energy: -546.015 Base-Backbone interact. energy: 0.363 local terms energy: -578.748340 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -111.873 flat angles C4'-P-C4' energy: -121.783 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -155.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1679.650131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.650131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.650131 (E_RNA) where: Base-Base interactions energy: -1121.649 where: short stacking energy: -531.897 Base-Backbone interact. energy: -0.973 local terms energy: -557.028399 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -100.273 flat angles C4'-P-C4' energy: -112.959 flat angles P-C4'-P energy: -90.573 tors. eta vs tors. theta energy: -145.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1554.969605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.969605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.969605 (E_RNA) where: Base-Base interactions energy: -1051.681 where: short stacking energy: -445.542 Base-Backbone interact. energy: -0.308 local terms energy: -502.980532 where: bonds (distance) C4'-P energy: -101.309 bonds (distance) P-C4' energy: -107.085 flat angles C4'-P-C4' energy: -110.755 flat angles P-C4'-P energy: -67.992 tors. eta vs tors. theta energy: -115.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1246.641268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.641268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.641268 (E_RNA) where: Base-Base interactions energy: -790.580 where: short stacking energy: -365.932 Base-Backbone interact. energy: -3.020 local terms energy: -453.041342 where: bonds (distance) C4'-P energy: -96.394 bonds (distance) P-C4' energy: -113.708 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -84.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1265.044244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.044244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.044244 (E_RNA) where: Base-Base interactions energy: -834.408 where: short stacking energy: -359.596 Base-Backbone interact. energy: 0.425 local terms energy: -431.061701 where: bonds (distance) C4'-P energy: -84.874 bonds (distance) P-C4' energy: -109.168 flat angles C4'-P-C4' energy: -98.334 flat angles P-C4'-P energy: -54.354 tors. eta vs tors. theta energy: -84.332 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: 222 Temperature: 1.250000 Total energy: -1077.349102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.349102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.349102 (E_RNA) where: Base-Base interactions energy: -644.941 where: short stacking energy: -287.798 Base-Backbone interact. energy: -1.041 local terms energy: -431.367398 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -108.944 flat angles C4'-P-C4' energy: -116.422 flat angles P-C4'-P energy: -62.175 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: 9, replica: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -820.761450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.761450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.761450 (E_RNA) where: Base-Base interactions energy: -488.929 where: short stacking energy: -227.224 Base-Backbone interact. energy: 3.668 local terms energy: -335.499874 where: bonds (distance) C4'-P energy: -94.484 bonds (distance) P-C4' energy: -103.148 flat angles C4'-P-C4' energy: -77.036 flat angles P-C4'-P energy: -56.732 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -572.557852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.557852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.557852 (E_RNA) where: Base-Base interactions energy: -261.142 where: short stacking energy: -154.738 Base-Backbone interact. energy: -2.219 local terms energy: -309.197154 where: bonds (distance) C4'-P energy: -92.990 bonds (distance) P-C4' energy: -87.822 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: 3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1945.450541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.450541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.450541 (E_RNA) where: Base-Base interactions energy: -1311.337 where: short stacking energy: -568.414 Base-Backbone interact. energy: -3.423 local terms energy: -630.690191 where: bonds (distance) C4'-P energy: -116.591 bonds (distance) P-C4' energy: -124.170 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -93.070 tors. eta vs tors. theta energy: -170.094 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: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1924.960092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.960092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.960092 (E_RNA) where: Base-Base interactions energy: -1336.174 where: short stacking energy: -578.564 Base-Backbone interact. energy: -3.444 local terms energy: -585.342350 where: bonds (distance) C4'-P energy: -100.691 bonds (distance) P-C4' energy: -116.403 flat angles C4'-P-C4' energy: -127.706 flat angles P-C4'-P energy: -74.959 tors. eta vs tors. theta energy: -165.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1798.008582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.008582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.008582 (E_RNA) where: Base-Base interactions energy: -1208.419 where: short stacking energy: -521.712 Base-Backbone interact. energy: -3.341 local terms energy: -586.249289 where: bonds (distance) C4'-P energy: -104.315 bonds (distance) P-C4' energy: -125.310 flat angles C4'-P-C4' energy: -119.397 flat angles P-C4'-P energy: -77.476 tors. eta vs tors. theta energy: -159.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1676.216024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.216024 (E_RNA) where: Base-Base interactions energy: -1100.417 where: short stacking energy: -513.705 Base-Backbone interact. energy: -1.787 local terms energy: -574.012258 where: bonds (distance) C4'-P energy: -115.116 bonds (distance) P-C4' energy: -113.851 flat angles C4'-P-C4' energy: -124.424 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -143.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1598.350031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.350031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.350031 (E_RNA) where: Base-Base interactions energy: -1059.221 where: short stacking energy: -455.054 Base-Backbone interact. energy: 0.958 local terms energy: -540.086816 where: bonds (distance) C4'-P energy: -115.010 bonds (distance) P-C4' energy: -101.745 flat angles C4'-P-C4' energy: -101.933 flat angles P-C4'-P energy: -80.674 tors. eta vs tors. theta energy: -140.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1235.376467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.376467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.376467 (E_RNA) where: Base-Base interactions energy: -782.689 where: short stacking energy: -389.168 Base-Backbone interact. energy: 1.849 local terms energy: -454.536445 where: bonds (distance) C4'-P energy: -89.636 bonds (distance) P-C4' energy: -101.620 flat angles C4'-P-C4' energy: -110.686 flat angles P-C4'-P energy: -61.256 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: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1192.539917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.539917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.539917 (E_RNA) where: Base-Base interactions energy: -724.036 where: short stacking energy: -353.772 Base-Backbone interact. energy: 0.490 local terms energy: -468.993408 where: bonds (distance) C4'-P energy: -104.547 bonds (distance) P-C4' energy: -99.659 flat angles C4'-P-C4' energy: -103.056 flat angles P-C4'-P energy: -70.623 tors. eta vs tors. theta energy: -91.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1055.725735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.725735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.725735 (E_RNA) where: Base-Base interactions energy: -632.374 where: short stacking energy: -310.809 Base-Backbone interact. energy: 3.340 local terms energy: -426.691960 where: bonds (distance) C4'-P energy: -103.141 bonds (distance) P-C4' energy: -102.375 flat angles C4'-P-C4' energy: -81.004 flat angles P-C4'-P energy: -72.313 tors. eta vs tors. theta energy: -67.859 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: 223 Temperature: 1.300000 Total energy: -880.901825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.901825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.901825 (E_RNA) where: Base-Base interactions energy: -519.893 where: short stacking energy: -232.724 Base-Backbone interact. energy: 5.206 local terms energy: -366.214988 where: bonds (distance) C4'-P energy: -98.792 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -88.450 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -27.427 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: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -566.625585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.625585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.625585 (E_RNA) where: Base-Base interactions energy: -229.029 where: short stacking energy: -157.182 Base-Backbone interact. energy: 1.886 local terms energy: -339.482237 where: bonds (distance) C4'-P energy: -98.122 bonds (distance) P-C4' energy: -108.868 flat angles C4'-P-C4' energy: -93.874 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: 9.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1970.789002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.789002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.789002 (E_RNA) where: Base-Base interactions energy: -1349.954 where: short stacking energy: -599.180 Base-Backbone interact. energy: -1.808 local terms energy: -619.026962 where: bonds (distance) C4'-P energy: -118.261 bonds (distance) P-C4' energy: -122.869 flat angles C4'-P-C4' energy: -133.488 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -165.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1867.606339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.606339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.606339 (E_RNA) where: Base-Base interactions energy: -1291.320 where: short stacking energy: -555.438 Base-Backbone interact. energy: -4.700 local terms energy: -571.585871 where: bonds (distance) C4'-P energy: -100.744 bonds (distance) P-C4' energy: -101.705 flat angles C4'-P-C4' energy: -123.949 flat angles P-C4'-P energy: -75.724 tors. eta vs tors. theta energy: -169.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1824.536627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.536627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.536627 (E_RNA) where: Base-Base interactions energy: -1215.008 where: short stacking energy: -539.361 Base-Backbone interact. energy: -2.584 local terms energy: -606.943816 where: bonds (distance) C4'-P energy: -111.138 bonds (distance) P-C4' energy: -115.801 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -79.540 tors. eta vs tors. theta energy: -171.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1692.106146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.106146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.106146 (E_RNA) where: Base-Base interactions energy: -1125.295 where: short stacking energy: -528.005 Base-Backbone interact. energy: -2.208 local terms energy: -564.603637 where: bonds (distance) C4'-P energy: -106.161 bonds (distance) P-C4' energy: -116.765 flat angles C4'-P-C4' energy: -123.627 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -158.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1597.516932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.516932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.516932 (E_RNA) where: Base-Base interactions energy: -1058.136 where: short stacking energy: -459.259 Base-Backbone interact. energy: -0.954 local terms energy: -538.426798 where: bonds (distance) C4'-P energy: -92.455 bonds (distance) P-C4' energy: -114.896 flat angles C4'-P-C4' energy: -121.773 flat angles P-C4'-P energy: -80.233 tors. eta vs tors. theta energy: -129.069 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: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1289.377466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.377466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.377466 (E_RNA) where: Base-Base interactions energy: -814.284 where: short stacking energy: -376.447 Base-Backbone interact. energy: -0.517 local terms energy: -474.576252 where: bonds (distance) C4'-P energy: -105.078 bonds (distance) P-C4' energy: -113.917 flat angles C4'-P-C4' energy: -97.083 flat angles P-C4'-P energy: -65.068 tors. eta vs tors. theta energy: -93.431 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: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1222.151821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.151821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.151821 (E_RNA) where: Base-Base interactions energy: -765.031 where: short stacking energy: -376.756 Base-Backbone interact. energy: 0.769 local terms energy: -457.890484 where: bonds (distance) C4'-P energy: -112.155 bonds (distance) P-C4' energy: -103.541 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -64.200 tors. eta vs tors. theta energy: -85.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1146.824878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.824878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.824878 (E_RNA) where: Base-Base interactions energy: -748.464 where: short stacking energy: -345.823 Base-Backbone interact. energy: -2.649 local terms energy: -395.712198 where: bonds (distance) C4'-P energy: -72.838 bonds (distance) P-C4' energy: -104.547 flat angles C4'-P-C4' energy: -94.391 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -70.772 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: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -884.081298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.081298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.081298 (E_RNA) where: Base-Base interactions energy: -538.151 where: short stacking energy: -254.677 Base-Backbone interact. energy: 1.405 local terms energy: -347.334725 where: bonds (distance) C4'-P energy: -92.427 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -78.548 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -45.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -550.983683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.983683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.983683 (E_RNA) where: Base-Base interactions energy: -226.581 where: short stacking energy: -152.350 Base-Backbone interact. energy: 8.385 local terms energy: -332.787873 where: bonds (distance) C4'-P energy: -96.161 bonds (distance) P-C4' energy: -108.841 flat angles C4'-P-C4' energy: -94.559 flat angles P-C4'-P energy: -43.434 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: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1957.081212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.081212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.081212 (E_RNA) where: Base-Base interactions energy: -1318.091 where: short stacking energy: -580.598 Base-Backbone interact. energy: -3.084 local terms energy: -635.906756 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -116.407 flat angles C4'-P-C4' energy: -128.100 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -181.326 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: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1850.989680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.989680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.989680 (E_RNA) where: Base-Base interactions energy: -1248.548 where: short stacking energy: -531.051 Base-Backbone interact. energy: -4.411 local terms energy: -598.030189 where: bonds (distance) C4'-P energy: -117.352 bonds (distance) P-C4' energy: -115.816 flat angles C4'-P-C4' energy: -125.315 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -149.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1816.269965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.269965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.269965 (E_RNA) where: Base-Base interactions energy: -1219.989 where: short stacking energy: -537.703 Base-Backbone interact. energy: -1.303 local terms energy: -594.978257 where: bonds (distance) C4'-P energy: -106.330 bonds (distance) P-C4' energy: -124.521 flat angles C4'-P-C4' energy: -118.087 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -166.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1725.683336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.683336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.683336 (E_RNA) where: Base-Base interactions energy: -1164.476 where: short stacking energy: -527.838 Base-Backbone interact. energy: 1.499 local terms energy: -562.706585 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -105.194 flat angles C4'-P-C4' energy: -121.186 flat angles P-C4'-P energy: -84.267 tors. eta vs tors. theta energy: -146.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1641.676902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.676902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.676902 (E_RNA) where: Base-Base interactions energy: -1111.704 where: short stacking energy: -472.702 Base-Backbone interact. energy: -2.539 local terms energy: -527.433950 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -94.854 flat angles C4'-P-C4' energy: -122.075 flat angles P-C4'-P energy: -66.283 tors. eta vs tors. theta energy: -130.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1333.267081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.267081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.267081 (E_RNA) where: Base-Base interactions energy: -861.963 where: short stacking energy: -373.678 Base-Backbone interact. energy: -1.457 local terms energy: -469.847114 where: bonds (distance) C4'-P energy: -107.879 bonds (distance) P-C4' energy: -99.899 flat angles C4'-P-C4' energy: -88.701 flat angles P-C4'-P energy: -71.590 tors. eta vs tors. theta energy: -101.779 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: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1180.625480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.625480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.625480 (E_RNA) where: Base-Base interactions energy: -750.516 where: short stacking energy: -376.637 Base-Backbone interact. energy: 4.300 local terms energy: -434.409448 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -97.249 flat angles C4'-P-C4' energy: -88.682 flat angles P-C4'-P energy: -58.670 tors. eta vs tors. theta energy: -87.742 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: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1059.285600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.285600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.285600 (E_RNA) where: Base-Base interactions energy: -669.784 where: short stacking energy: -309.807 Base-Backbone interact. energy: 0.145 local terms energy: -389.646460 where: bonds (distance) C4'-P energy: -88.738 bonds (distance) P-C4' energy: -91.761 flat angles C4'-P-C4' energy: -89.856 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -68.817 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: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -924.177466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.177466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.177466 (E_RNA) where: Base-Base interactions energy: -554.136 where: short stacking energy: -266.591 Base-Backbone interact. energy: -0.286 local terms energy: -369.755548 where: bonds (distance) C4'-P energy: -93.735 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -59.443 tors. eta vs tors. theta energy: -41.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -511.113800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.113800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.113800 (E_RNA) where: Base-Base interactions energy: -209.104 where: short stacking energy: -139.145 Base-Backbone interact. energy: -1.338 local terms energy: -300.671302 where: bonds (distance) C4'-P energy: -89.121 bonds (distance) P-C4' energy: -105.385 flat angles C4'-P-C4' energy: -73.221 flat angles P-C4'-P energy: -37.182 tors. eta vs tors. theta energy: 4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1996.258873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.258873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.258873 (E_RNA) where: Base-Base interactions energy: -1353.532 where: short stacking energy: -597.880 Base-Backbone interact. energy: -1.598 local terms energy: -641.128776 where: bonds (distance) C4'-P energy: -116.888 bonds (distance) P-C4' energy: -118.770 flat angles C4'-P-C4' energy: -134.109 flat angles P-C4'-P energy: -87.167 tors. eta vs tors. theta energy: -184.195 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: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1856.956426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.956426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.956426 (E_RNA) where: Base-Base interactions energy: -1265.289 where: short stacking energy: -550.980 Base-Backbone interact. energy: -2.278 local terms energy: -589.389253 where: bonds (distance) C4'-P energy: -102.627 bonds (distance) P-C4' energy: -125.898 flat angles C4'-P-C4' energy: -130.751 flat angles P-C4'-P energy: -79.129 tors. eta vs tors. theta energy: -150.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1824.633139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.633139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.633139 (E_RNA) where: Base-Base interactions energy: -1235.192 where: short stacking energy: -556.688 Base-Backbone interact. energy: -3.266 local terms energy: -586.175582 where: bonds (distance) C4'-P energy: -110.771 bonds (distance) P-C4' energy: -114.412 flat angles C4'-P-C4' energy: -118.082 flat angles P-C4'-P energy: -84.272 tors. eta vs tors. theta energy: -158.639 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: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1738.510390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.510390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.510390 (E_RNA) where: Base-Base interactions energy: -1178.489 where: short stacking energy: -544.117 Base-Backbone interact. energy: -2.955 local terms energy: -557.066707 where: bonds (distance) C4'-P energy: -102.245 bonds (distance) P-C4' energy: -109.273 flat angles C4'-P-C4' energy: -109.076 flat angles P-C4'-P energy: -85.745 tors. eta vs tors. theta energy: -150.727 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: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1627.881871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.881871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.881871 (E_RNA) where: Base-Base interactions energy: -1085.821 where: short stacking energy: -479.014 Base-Backbone interact. energy: -2.798 local terms energy: -539.262624 where: bonds (distance) C4'-P energy: -95.444 bonds (distance) P-C4' energy: -116.737 flat angles C4'-P-C4' energy: -117.493 flat angles P-C4'-P energy: -78.246 tors. eta vs tors. theta energy: -131.342 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: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1282.381922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.381922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.381922 (E_RNA) where: Base-Base interactions energy: -815.287 where: short stacking energy: -367.615 Base-Backbone interact. energy: -2.390 local terms energy: -464.705242 where: bonds (distance) C4'-P energy: -100.727 bonds (distance) P-C4' energy: -93.078 flat angles C4'-P-C4' energy: -111.609 flat angles P-C4'-P energy: -66.892 tors. eta vs tors. theta energy: -92.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1178.131771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.131771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.131771 (E_RNA) where: Base-Base interactions energy: -724.568 where: short stacking energy: -351.291 Base-Backbone interact. energy: -1.840 local terms energy: -451.723232 where: bonds (distance) C4'-P energy: -90.233 bonds (distance) P-C4' energy: -114.883 flat angles C4'-P-C4' energy: -105.219 flat angles P-C4'-P energy: -58.595 tors. eta vs tors. theta energy: -82.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1109.723999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.723999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.723999 (E_RNA) where: Base-Base interactions energy: -707.445 where: short stacking energy: -308.976 Base-Backbone interact. energy: 0.209 local terms energy: -402.488191 where: bonds (distance) C4'-P energy: -105.375 bonds (distance) P-C4' energy: -90.723 flat angles C4'-P-C4' energy: -94.868 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -51.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -901.764264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.764264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.764264 (E_RNA) where: Base-Base interactions energy: -552.744 where: short stacking energy: -251.683 Base-Backbone interact. energy: 6.251 local terms energy: -355.270780 where: bonds (distance) C4'-P energy: -91.403 bonds (distance) P-C4' energy: -99.256 flat angles C4'-P-C4' energy: -94.910 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: -19.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -556.479125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.479125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.479125 (E_RNA) where: Base-Base interactions energy: -240.809 where: short stacking energy: -145.700 Base-Backbone interact. energy: -0.908 local terms energy: -314.762794 where: bonds (distance) C4'-P energy: -96.062 bonds (distance) P-C4' energy: -103.199 flat angles C4'-P-C4' energy: -86.938 flat angles P-C4'-P energy: -48.202 tors. eta vs tors. theta energy: 19.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1995.719663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.719663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.719663 (E_RNA) where: Base-Base interactions energy: -1351.402 where: short stacking energy: -594.741 Base-Backbone interact. energy: -2.042 local terms energy: -642.275786 where: bonds (distance) C4'-P energy: -105.629 bonds (distance) P-C4' energy: -115.911 flat angles C4'-P-C4' energy: -131.145 flat angles P-C4'-P energy: -99.640 tors. eta vs tors. theta energy: -189.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1905.218021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.218021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.218021 (E_RNA) where: Base-Base interactions energy: -1305.523 where: short stacking energy: -594.847 Base-Backbone interact. energy: -3.454 local terms energy: -596.241563 where: bonds (distance) C4'-P energy: -115.910 bonds (distance) P-C4' energy: -103.238 flat angles C4'-P-C4' energy: -132.025 flat angles P-C4'-P energy: -71.316 tors. eta vs tors. theta energy: -173.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1798.905390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.905390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.905390 (E_RNA) where: Base-Base interactions energy: -1219.244 where: short stacking energy: -554.346 Base-Backbone interact. energy: -2.441 local terms energy: -577.220207 where: bonds (distance) C4'-P energy: -100.835 bonds (distance) P-C4' energy: -104.702 flat angles C4'-P-C4' energy: -123.619 flat angles P-C4'-P energy: -86.060 tors. eta vs tors. theta energy: -162.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1783.477795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.477795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.477795 (E_RNA) where: Base-Base interactions energy: -1189.930 where: short stacking energy: -530.809 Base-Backbone interact. energy: -3.070 local terms energy: -590.477993 where: bonds (distance) C4'-P energy: -104.081 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -126.284 flat angles P-C4'-P energy: -93.142 tors. eta vs tors. theta energy: -157.063 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: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1595.974663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.974663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.974663 (E_RNA) where: Base-Base interactions energy: -1056.222 where: short stacking energy: -455.303 Base-Backbone interact. energy: 0.088 local terms energy: -539.840551 where: bonds (distance) C4'-P energy: -110.902 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -118.099 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -132.502 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: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1290.842720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.842720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.842720 (E_RNA) where: Base-Base interactions energy: -829.339 where: short stacking energy: -382.063 Base-Backbone interact. energy: 0.769 local terms energy: -462.273362 where: bonds (distance) C4'-P energy: -89.084 bonds (distance) P-C4' energy: -95.045 flat angles C4'-P-C4' energy: -131.587 flat angles P-C4'-P energy: -64.145 tors. eta vs tors. theta energy: -82.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1185.416980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.416980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.416980 (E_RNA) where: Base-Base interactions energy: -739.707 where: short stacking energy: -346.036 Base-Backbone interact. energy: 2.024 local terms energy: -447.733352 where: bonds (distance) C4'-P energy: -81.994 bonds (distance) P-C4' energy: -107.959 flat angles C4'-P-C4' energy: -111.499 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -87.504 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: 227 Temperature: 1.250000 Total energy: -1076.731074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.731074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.731074 (E_RNA) where: Base-Base interactions energy: -693.033 where: short stacking energy: -266.185 Base-Backbone interact. energy: -5.162 local terms energy: -378.536105 where: bonds (distance) C4'-P energy: -107.687 bonds (distance) P-C4' energy: -96.548 flat angles C4'-P-C4' energy: -75.784 flat angles P-C4'-P energy: -56.835 tors. eta vs tors. theta energy: -41.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -916.896597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.896597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.896597 (E_RNA) where: Base-Base interactions energy: -539.584 where: short stacking energy: -257.517 Base-Backbone interact. energy: -1.317 local terms energy: -375.996291 where: bonds (distance) C4'-P energy: -96.930 bonds (distance) P-C4' energy: -96.797 flat angles C4'-P-C4' energy: -97.676 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -35.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -594.212177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.212177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.212177 (E_RNA) where: Base-Base interactions energy: -288.254 where: short stacking energy: -162.143 Base-Backbone interact. energy: 5.178 local terms energy: -311.135799 where: bonds (distance) C4'-P energy: -89.069 bonds (distance) P-C4' energy: -94.626 flat angles C4'-P-C4' energy: -69.950 flat angles P-C4'-P energy: -61.515 tors. eta vs tors. theta energy: 4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2007.265216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.265216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.265216 (E_RNA) where: Base-Base interactions energy: -1371.103 where: short stacking energy: -609.710 Base-Backbone interact. energy: -1.075 local terms energy: -635.088154 where: bonds (distance) C4'-P energy: -114.906 bonds (distance) P-C4' energy: -110.262 flat angles C4'-P-C4' energy: -130.520 flat angles P-C4'-P energy: -96.407 tors. eta vs tors. theta energy: -182.993 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: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1890.361530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.361530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.361530 (E_RNA) where: Base-Base interactions energy: -1288.405 where: short stacking energy: -565.048 Base-Backbone interact. energy: -1.126 local terms energy: -600.830434 where: bonds (distance) C4'-P energy: -111.211 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -127.302 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -163.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1819.603030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.603030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.603030 (E_RNA) where: Base-Base interactions energy: -1224.305 where: short stacking energy: -540.968 Base-Backbone interact. energy: -3.896 local terms energy: -591.402786 where: bonds (distance) C4'-P energy: -121.757 bonds (distance) P-C4' energy: -109.161 flat angles C4'-P-C4' energy: -120.677 flat angles P-C4'-P energy: -77.487 tors. eta vs tors. theta energy: -162.320 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: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1727.327990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.327990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.327990 (E_RNA) where: Base-Base interactions energy: -1163.891 where: short stacking energy: -547.084 Base-Backbone interact. energy: -1.722 local terms energy: -561.715225 where: bonds (distance) C4'-P energy: -107.665 bonds (distance) P-C4' energy: -106.252 flat angles C4'-P-C4' energy: -127.853 flat angles P-C4'-P energy: -68.566 tors. eta vs tors. theta energy: -151.380 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: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1591.978142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.978142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.978142 (E_RNA) where: Base-Base interactions energy: -1067.730 where: short stacking energy: -471.210 Base-Backbone interact. energy: -4.556 local terms energy: -519.692072 where: bonds (distance) C4'-P energy: -105.527 bonds (distance) P-C4' energy: -103.200 flat angles C4'-P-C4' energy: -108.053 flat angles P-C4'-P energy: -89.032 tors. eta vs tors. theta energy: -113.880 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: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1268.721760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.721760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.721760 (E_RNA) where: Base-Base interactions energy: -821.956 where: short stacking energy: -363.000 Base-Backbone interact. energy: 3.630 local terms energy: -450.395467 where: bonds (distance) C4'-P energy: -104.657 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -85.133 flat angles P-C4'-P energy: -64.043 tors. eta vs tors. theta energy: -86.638 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: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1154.985264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.985264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.985264 (E_RNA) where: Base-Base interactions energy: -713.225 where: short stacking energy: -329.662 Base-Backbone interact. energy: -3.345 local terms energy: -438.415760 where: bonds (distance) C4'-P energy: -109.887 bonds (distance) P-C4' energy: -104.536 flat angles C4'-P-C4' energy: -101.038 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: -72.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1095.472969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.472969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.472969 (E_RNA) where: Base-Base interactions energy: -687.770 where: short stacking energy: -300.591 Base-Backbone interact. energy: 1.080 local terms energy: -408.783200 where: bonds (distance) C4'-P energy: -92.579 bonds (distance) P-C4' energy: -86.354 flat angles C4'-P-C4' energy: -105.443 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: -62.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -905.858258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.858258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.858258 (E_RNA) where: Base-Base interactions energy: -540.588 where: short stacking energy: -257.900 Base-Backbone interact. energy: -2.389 local terms energy: -362.881125 where: bonds (distance) C4'-P energy: -92.031 bonds (distance) P-C4' energy: -96.260 flat angles C4'-P-C4' energy: -83.364 flat angles P-C4'-P energy: -61.637 tors. eta vs tors. theta energy: -29.590 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: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -617.026718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.026718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.026718 (E_RNA) where: Base-Base interactions energy: -286.719 where: short stacking energy: -161.025 Base-Backbone interact. energy: 4.898 local terms energy: -335.206151 where: bonds (distance) C4'-P energy: -90.622 bonds (distance) P-C4' energy: -102.560 flat angles C4'-P-C4' energy: -98.010 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1986.440983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.440983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.440983 (E_RNA) where: Base-Base interactions energy: -1342.588 where: short stacking energy: -581.809 Base-Backbone interact. energy: -2.104 local terms energy: -641.749246 where: bonds (distance) C4'-P energy: -119.388 bonds (distance) P-C4' energy: -126.197 flat angles C4'-P-C4' energy: -126.012 flat angles P-C4'-P energy: -96.702 tors. eta vs tors. theta energy: -173.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1925.957463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.957463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.957463 (E_RNA) where: Base-Base interactions energy: -1321.509 where: short stacking energy: -614.372 Base-Backbone interact. energy: -1.534 local terms energy: -602.914209 where: bonds (distance) C4'-P energy: -100.249 bonds (distance) P-C4' energy: -112.775 flat angles C4'-P-C4' energy: -123.925 flat angles P-C4'-P energy: -83.813 tors. eta vs tors. theta energy: -182.152 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: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1788.990659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.990659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.990659 (E_RNA) where: Base-Base interactions energy: -1218.983 where: short stacking energy: -535.245 Base-Backbone interact. energy: -2.411 local terms energy: -567.597049 where: bonds (distance) C4'-P energy: -108.863 bonds (distance) P-C4' energy: -112.803 flat angles C4'-P-C4' energy: -118.128 flat angles P-C4'-P energy: -68.883 tors. eta vs tors. theta energy: -158.919 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: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1701.217408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.217408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.217408 (E_RNA) where: Base-Base interactions energy: -1151.476 where: short stacking energy: -524.610 Base-Backbone interact. energy: -0.281 local terms energy: -549.461219 where: bonds (distance) C4'-P energy: -102.244 bonds (distance) P-C4' energy: -101.933 flat angles C4'-P-C4' energy: -113.420 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -148.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1589.593546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.593546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.593546 (E_RNA) where: Base-Base interactions energy: -1079.821 where: short stacking energy: -459.233 Base-Backbone interact. energy: -3.066 local terms energy: -506.706584 where: bonds (distance) C4'-P energy: -104.517 bonds (distance) P-C4' energy: -102.170 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -74.819 tors. eta vs tors. theta energy: -118.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1282.185571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.185571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.185571 (E_RNA) where: Base-Base interactions energy: -811.182 where: short stacking energy: -364.339 Base-Backbone interact. energy: -1.028 local terms energy: -469.975105 where: bonds (distance) C4'-P energy: -114.898 bonds (distance) P-C4' energy: -99.549 flat angles C4'-P-C4' energy: -109.072 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: -90.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1106.982986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.982986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.982986 (E_RNA) where: Base-Base interactions energy: -700.505 where: short stacking energy: -349.942 Base-Backbone interact. energy: -1.825 local terms energy: -404.653008 where: bonds (distance) C4'-P energy: -81.062 bonds (distance) P-C4' energy: -102.317 flat angles C4'-P-C4' energy: -94.387 flat angles P-C4'-P energy: -57.025 tors. eta vs tors. theta energy: -69.863 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: 229 Temperature: 1.250000 Total energy: -1125.095814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.095814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.095814 (E_RNA) where: Base-Base interactions energy: -687.162 where: short stacking energy: -324.302 Base-Backbone interact. energy: 2.580 local terms energy: -440.513579 where: bonds (distance) C4'-P energy: -92.287 bonds (distance) P-C4' energy: -100.596 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -63.197 tors. eta vs tors. theta energy: -82.653 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: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -903.668794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.668794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.668794 (E_RNA) where: Base-Base interactions energy: -516.549 where: short stacking energy: -258.022 Base-Backbone interact. energy: 3.752 local terms energy: -390.871718 where: bonds (distance) C4'-P energy: -99.371 bonds (distance) P-C4' energy: -117.625 flat angles C4'-P-C4' energy: -84.161 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: -30.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -646.814184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.814184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.814184 (E_RNA) where: Base-Base interactions energy: -327.938 where: short stacking energy: -183.466 Base-Backbone interact. energy: 0.105 local terms energy: -318.980914 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -94.845 flat angles C4'-P-C4' energy: -90.835 flat angles P-C4'-P energy: -38.692 tors. eta vs tors. theta energy: -10.247 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: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1979.381394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.381394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.381394 (E_RNA) where: Base-Base interactions energy: -1357.754 where: short stacking energy: -582.760 Base-Backbone interact. energy: -1.937 local terms energy: -619.690403 where: bonds (distance) C4'-P energy: -113.674 bonds (distance) P-C4' energy: -119.883 flat angles C4'-P-C4' energy: -136.819 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -172.361 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1932.123729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.123729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.123729 (E_RNA) where: Base-Base interactions energy: -1326.426 where: short stacking energy: -595.744 Base-Backbone interact. energy: -3.968 local terms energy: -601.729930 where: bonds (distance) C4'-P energy: -97.830 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -136.113 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: -181.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1819.716383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.716383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.716383 (E_RNA) where: Base-Base interactions energy: -1231.953 where: short stacking energy: -532.336 Base-Backbone interact. energy: 0.304 local terms energy: -588.067418 where: bonds (distance) C4'-P energy: -110.895 bonds (distance) P-C4' energy: -107.226 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -161.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1689.535626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.535626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.535626 (E_RNA) where: Base-Base interactions energy: -1123.620 where: short stacking energy: -512.827 Base-Backbone interact. energy: -3.013 local terms energy: -562.902620 where: bonds (distance) C4'-P energy: -93.945 bonds (distance) P-C4' energy: -98.700 flat angles C4'-P-C4' energy: -125.743 flat angles P-C4'-P energy: -90.918 tors. eta vs tors. theta energy: -153.596 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: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1580.542217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.542217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.542217 (E_RNA) where: Base-Base interactions energy: -1051.601 where: short stacking energy: -463.974 Base-Backbone interact. energy: -1.726 local terms energy: -527.214897 where: bonds (distance) C4'-P energy: -105.069 bonds (distance) P-C4' energy: -99.112 flat angles C4'-P-C4' energy: -115.533 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: -123.214 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: 230 Temperature: 1.150000 Total energy: -1317.062826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.062826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.062826 (E_RNA) where: Base-Base interactions energy: -853.865 where: short stacking energy: -394.022 Base-Backbone interact. energy: -2.595 local terms energy: -460.603026 where: bonds (distance) C4'-P energy: -91.225 bonds (distance) P-C4' energy: -101.694 flat angles C4'-P-C4' energy: -106.919 flat angles P-C4'-P energy: -66.243 tors. eta vs tors. theta energy: -94.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1094.106299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.106299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.106299 (E_RNA) where: Base-Base interactions energy: -644.754 where: short stacking energy: -308.232 Base-Backbone interact. energy: -1.789 local terms energy: -447.563896 where: bonds (distance) C4'-P energy: -104.696 bonds (distance) P-C4' energy: -107.696 flat angles C4'-P-C4' energy: -101.144 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -62.940 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: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1145.831699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.831699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.831699 (E_RNA) where: Base-Base interactions energy: -716.913 where: short stacking energy: -357.514 Base-Backbone interact. energy: 0.289 local terms energy: -429.208127 where: bonds (distance) C4'-P energy: -98.393 bonds (distance) P-C4' energy: -93.461 flat angles C4'-P-C4' energy: -83.718 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -84.211 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: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -873.228288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.228288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.228288 (E_RNA) where: Base-Base interactions energy: -523.961 where: short stacking energy: -253.117 Base-Backbone interact. energy: -2.579 local terms energy: -346.687880 where: bonds (distance) C4'-P energy: -74.683 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -77.896 flat angles P-C4'-P energy: -71.560 tors. eta vs tors. theta energy: -29.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -657.317326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.317326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.317326 (E_RNA) where: Base-Base interactions energy: -328.974 where: short stacking energy: -177.260 Base-Backbone interact. energy: -1.465 local terms energy: -326.878390 where: bonds (distance) C4'-P energy: -89.916 bonds (distance) P-C4' energy: -102.190 flat angles C4'-P-C4' energy: -87.387 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: 2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2012.259778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.259778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.259778 (E_RNA) where: Base-Base interactions energy: -1367.788 where: short stacking energy: -621.426 Base-Backbone interact. energy: -3.213 local terms energy: -641.258838 where: bonds (distance) C4'-P energy: -117.187 bonds (distance) P-C4' energy: -122.178 flat angles C4'-P-C4' energy: -134.582 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: -178.657 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: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1919.590269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.590269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.590269 (E_RNA) where: Base-Base interactions energy: -1284.432 where: short stacking energy: -558.982 Base-Backbone interact. energy: -2.217 local terms energy: -632.941051 where: bonds (distance) C4'-P energy: -119.644 bonds (distance) P-C4' energy: -116.301 flat angles C4'-P-C4' energy: -129.784 flat angles P-C4'-P energy: -95.322 tors. eta vs tors. theta energy: -171.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1818.433019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.433019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.433019 (E_RNA) where: Base-Base interactions energy: -1252.837 where: short stacking energy: -555.598 Base-Backbone interact. energy: 1.139 local terms energy: -566.735672 where: bonds (distance) C4'-P energy: -111.375 bonds (distance) P-C4' energy: -113.029 flat angles C4'-P-C4' energy: -121.130 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -146.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1665.958380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.958380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.958380 (E_RNA) where: Base-Base interactions energy: -1105.890 where: short stacking energy: -483.159 Base-Backbone interact. energy: 0.059 local terms energy: -560.127389 where: bonds (distance) C4'-P energy: -119.758 bonds (distance) P-C4' energy: -102.987 flat angles C4'-P-C4' energy: -123.279 flat angles P-C4'-P energy: -72.963 tors. eta vs tors. theta energy: -141.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1606.139781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.139781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.139781 (E_RNA) where: Base-Base interactions energy: -1077.307 where: short stacking energy: -461.597 Base-Backbone interact. energy: -0.668 local terms energy: -528.164385 where: bonds (distance) C4'-P energy: -102.850 bonds (distance) P-C4' energy: -110.080 flat angles C4'-P-C4' energy: -112.506 flat angles P-C4'-P energy: -81.861 tors. eta vs tors. theta energy: -120.866 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: 231 Temperature: 1.150000 Total energy: -1317.243237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.243237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.243237 (E_RNA) where: Base-Base interactions energy: -847.450 where: short stacking energy: -399.890 Base-Backbone interact. energy: -1.773 local terms energy: -468.019552 where: bonds (distance) C4'-P energy: -92.715 bonds (distance) P-C4' energy: -102.611 flat angles C4'-P-C4' energy: -97.600 flat angles P-C4'-P energy: -79.999 tors. eta vs tors. theta energy: -95.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1050.452556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.452556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.452556 (E_RNA) where: Base-Base interactions energy: -644.892 where: short stacking energy: -307.696 Base-Backbone interact. energy: 0.211 local terms energy: -405.771043 where: bonds (distance) C4'-P energy: -103.814 bonds (distance) P-C4' energy: -111.379 flat angles C4'-P-C4' energy: -97.348 flat angles P-C4'-P energy: -51.874 tors. eta vs tors. theta energy: -41.355 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: 231 Temperature: 1.250000 Total energy: -1118.398667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.398667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.398667 (E_RNA) where: Base-Base interactions energy: -672.053 where: short stacking energy: -318.226 Base-Backbone interact. energy: 0.664 local terms energy: -447.009170 where: bonds (distance) C4'-P energy: -112.285 bonds (distance) P-C4' energy: -104.932 flat angles C4'-P-C4' energy: -101.872 flat angles P-C4'-P energy: -57.519 tors. eta vs tors. theta energy: -70.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -889.367000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.367000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.367000 (E_RNA) where: Base-Base interactions energy: -526.794 where: short stacking energy: -235.347 Base-Backbone interact. energy: -1.821 local terms energy: -360.751622 where: bonds (distance) C4'-P energy: -93.095 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -76.012 flat angles P-C4'-P energy: -59.617 tors. eta vs tors. theta energy: -26.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -608.132305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.132305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.132305 (E_RNA) where: Base-Base interactions energy: -298.221 where: short stacking energy: -148.171 Base-Backbone interact. energy: 2.221 local terms energy: -312.133176 where: bonds (distance) C4'-P energy: -101.807 bonds (distance) P-C4' energy: -102.170 flat angles C4'-P-C4' energy: -77.732 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: 19.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1990.642467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.642467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.642467 (E_RNA) where: Base-Base interactions energy: -1361.292 where: short stacking energy: -593.251 Base-Backbone interact. energy: -2.199 local terms energy: -627.152375 where: bonds (distance) C4'-P energy: -123.700 bonds (distance) P-C4' energy: -118.532 flat angles C4'-P-C4' energy: -130.763 flat angles P-C4'-P energy: -77.904 tors. eta vs tors. theta energy: -176.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1904.051328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.051328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.051328 (E_RNA) where: Base-Base interactions energy: -1305.203 where: short stacking energy: -578.750 Base-Backbone interact. energy: -1.305 local terms energy: -597.543122 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -118.680 flat angles C4'-P-C4' energy: -124.094 flat angles P-C4'-P energy: -83.205 tors. eta vs tors. theta energy: -168.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1796.304178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.304178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.304178 (E_RNA) where: Base-Base interactions energy: -1211.902 where: short stacking energy: -530.893 Base-Backbone interact. energy: -2.700 local terms energy: -581.701864 where: bonds (distance) C4'-P energy: -114.535 bonds (distance) P-C4' energy: -108.068 flat angles C4'-P-C4' energy: -131.064 flat angles P-C4'-P energy: -79.265 tors. eta vs tors. theta energy: -148.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1663.279297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.279297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.279297 (E_RNA) where: Base-Base interactions energy: -1137.077 where: short stacking energy: -481.438 Base-Backbone interact. energy: -0.092 local terms energy: -526.110251 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -97.750 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -133.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1628.137731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.137731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.137731 (E_RNA) where: Base-Base interactions energy: -1081.398 where: short stacking energy: -480.008 Base-Backbone interact. energy: 0.464 local terms energy: -547.204200 where: bonds (distance) C4'-P energy: -105.925 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -110.161 flat angles P-C4'-P energy: -88.579 tors. eta vs tors. theta energy: -127.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1262.676406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.676406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.676406 (E_RNA) where: Base-Base interactions energy: -800.492 where: short stacking energy: -355.666 Base-Backbone interact. energy: -1.322 local terms energy: -460.862202 where: bonds (distance) C4'-P energy: -98.131 bonds (distance) P-C4' energy: -106.154 flat angles C4'-P-C4' energy: -108.388 flat angles P-C4'-P energy: -79.024 tors. eta vs tors. theta energy: -69.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1126.988953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.988953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.988953 (E_RNA) where: Base-Base interactions energy: -722.938 where: short stacking energy: -347.517 Base-Backbone interact. energy: 0.419 local terms energy: -404.470566 where: bonds (distance) C4'-P energy: -95.161 bonds (distance) P-C4' energy: -96.538 flat angles C4'-P-C4' energy: -104.965 flat angles P-C4'-P energy: -38.773 tors. eta vs tors. theta energy: -69.034 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: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1032.712831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.712831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.712831 (E_RNA) where: Base-Base interactions energy: -638.836 where: short stacking energy: -308.374 Base-Backbone interact. energy: 0.835 local terms energy: -394.712262 where: bonds (distance) C4'-P energy: -87.972 bonds (distance) P-C4' energy: -102.424 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: -56.026 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: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -882.353364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.353364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.353364 (E_RNA) where: Base-Base interactions energy: -536.636 where: short stacking energy: -250.159 Base-Backbone interact. energy: 4.236 local terms energy: -349.952808 where: bonds (distance) C4'-P energy: -90.350 bonds (distance) P-C4' energy: -91.557 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -34.010 tors. eta vs tors. theta energy: -36.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -578.628624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.628624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.628624 (E_RNA) where: Base-Base interactions energy: -267.614 where: short stacking energy: -142.535 Base-Backbone interact. energy: -1.099 local terms energy: -309.915347 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -98.324 flat angles C4'-P-C4' energy: -95.648 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: 8.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1981.600737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.600737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.600737 (E_RNA) where: Base-Base interactions energy: -1344.457 where: short stacking energy: -582.095 Base-Backbone interact. energy: -2.879 local terms energy: -634.265553 where: bonds (distance) C4'-P energy: -114.219 bonds (distance) P-C4' energy: -128.706 flat angles C4'-P-C4' energy: -129.982 flat angles P-C4'-P energy: -83.747 tors. eta vs tors. theta energy: -177.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1891.855516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.855516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.855516 (E_RNA) where: Base-Base interactions energy: -1294.821 where: short stacking energy: -581.290 Base-Backbone interact. energy: -1.654 local terms energy: -595.380619 where: bonds (distance) C4'-P energy: -122.126 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -120.169 flat angles P-C4'-P energy: -71.603 tors. eta vs tors. theta energy: -173.337 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: 233 Temperature: 1.000000 Total energy: -1783.183538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.183538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.183538 (E_RNA) where: Base-Base interactions energy: -1199.187 where: short stacking energy: -536.780 Base-Backbone interact. energy: -3.442 local terms energy: -580.555057 where: bonds (distance) C4'-P energy: -107.548 bonds (distance) P-C4' energy: -108.073 flat angles C4'-P-C4' energy: -129.610 flat angles P-C4'-P energy: -87.972 tors. eta vs tors. theta energy: -147.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1670.677747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.677747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.677747 (E_RNA) where: Base-Base interactions energy: -1121.961 where: short stacking energy: -489.047 Base-Backbone interact. energy: 3.422 local terms energy: -552.139211 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -114.134 flat angles P-C4'-P energy: -82.260 tors. eta vs tors. theta energy: -139.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1600.841330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.841330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.841330 (E_RNA) where: Base-Base interactions energy: -1110.828 where: short stacking energy: -477.220 Base-Backbone interact. energy: 1.166 local terms energy: -491.178490 where: bonds (distance) C4'-P energy: -98.627 bonds (distance) P-C4' energy: -103.156 flat angles C4'-P-C4' energy: -91.038 flat angles P-C4'-P energy: -72.948 tors. eta vs tors. theta energy: -125.409 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: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1268.389338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.389338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.389338 (E_RNA) where: Base-Base interactions energy: -819.889 where: short stacking energy: -395.743 Base-Backbone interact. energy: 0.385 local terms energy: -448.885047 where: bonds (distance) C4'-P energy: -109.847 bonds (distance) P-C4' energy: -103.586 flat angles C4'-P-C4' energy: -96.834 flat angles P-C4'-P energy: -54.276 tors. eta vs tors. theta energy: -84.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1134.569148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.569148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.569148 (E_RNA) where: Base-Base interactions energy: -716.154 where: short stacking energy: -364.403 Base-Backbone interact. energy: 5.759 local terms energy: -424.173356 where: bonds (distance) C4'-P energy: -90.305 bonds (distance) P-C4' energy: -90.357 flat angles C4'-P-C4' energy: -104.900 flat angles P-C4'-P energy: -65.986 tors. eta vs tors. theta energy: -72.626 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: 233 Temperature: 1.250000 Total energy: -1045.183117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.183117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.183117 (E_RNA) where: Base-Base interactions energy: -661.280 where: short stacking energy: -320.236 Base-Backbone interact. energy: -2.719 local terms energy: -381.184281 where: bonds (distance) C4'-P energy: -84.901 bonds (distance) P-C4' energy: -91.766 flat angles C4'-P-C4' energy: -94.712 flat angles P-C4'-P energy: -55.260 tors. eta vs tors. theta energy: -54.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -925.980379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.980379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.980379 (E_RNA) where: Base-Base interactions energy: -576.738 where: short stacking energy: -271.833 Base-Backbone interact. energy: 2.003 local terms energy: -351.245950 where: bonds (distance) C4'-P energy: -93.938 bonds (distance) P-C4' energy: -94.294 flat angles C4'-P-C4' energy: -80.238 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -26.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -564.222276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.222276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.222276 (E_RNA) where: Base-Base interactions energy: -255.436 where: short stacking energy: -153.181 Base-Backbone interact. energy: -0.097 local terms energy: -308.689456 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -60.833 tors. eta vs tors. theta energy: 13.446 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: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1991.922287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.922287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.922287 (E_RNA) where: Base-Base interactions energy: -1350.891 where: short stacking energy: -599.499 Base-Backbone interact. energy: -3.844 local terms energy: -637.188126 where: bonds (distance) C4'-P energy: -121.507 bonds (distance) P-C4' energy: -116.871 flat angles C4'-P-C4' energy: -134.049 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -182.642 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: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1883.196612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.196612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.196612 (E_RNA) where: Base-Base interactions energy: -1287.983 where: short stacking energy: -567.943 Base-Backbone interact. energy: -3.118 local terms energy: -592.095681 where: bonds (distance) C4'-P energy: -98.442 bonds (distance) P-C4' energy: -109.458 flat angles C4'-P-C4' energy: -125.160 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -178.601 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: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1796.332292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.332292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.332292 (E_RNA) where: Base-Base interactions energy: -1214.669 where: short stacking energy: -509.165 Base-Backbone interact. energy: -2.138 local terms energy: -579.525294 where: bonds (distance) C4'-P energy: -111.302 bonds (distance) P-C4' energy: -118.779 flat angles C4'-P-C4' energy: -120.565 flat angles P-C4'-P energy: -80.772 tors. eta vs tors. theta energy: -148.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1667.315723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.315723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.315723 (E_RNA) where: Base-Base interactions energy: -1139.315 where: short stacking energy: -506.436 Base-Backbone interact. energy: -0.581 local terms energy: -527.419785 where: bonds (distance) C4'-P energy: -96.848 bonds (distance) P-C4' energy: -107.925 flat angles C4'-P-C4' energy: -110.005 flat angles P-C4'-P energy: -73.006 tors. eta vs tors. theta energy: -139.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1693.807439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.807439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.807439 (E_RNA) where: Base-Base interactions energy: -1174.302 where: short stacking energy: -506.850 Base-Backbone interact. energy: -2.013 local terms energy: -517.492654 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -103.288 flat angles C4'-P-C4' energy: -114.364 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -134.583 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: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1281.148450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.148450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.148450 (E_RNA) where: Base-Base interactions energy: -776.604 where: short stacking energy: -355.730 Base-Backbone interact. energy: -1.136 local terms energy: -503.408290 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -107.909 flat angles C4'-P-C4' energy: -122.771 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -90.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1154.977506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.977506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.977506 (E_RNA) where: Base-Base interactions energy: -714.013 where: short stacking energy: -349.838 Base-Backbone interact. energy: 9.293 local terms energy: -450.257449 where: bonds (distance) C4'-P energy: -103.529 bonds (distance) P-C4' energy: -104.211 flat angles C4'-P-C4' energy: -114.905 flat angles P-C4'-P energy: -60.231 tors. eta vs tors. theta energy: -67.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1056.011771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.011771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.011771 (E_RNA) where: Base-Base interactions energy: -677.827 where: short stacking energy: -317.896 Base-Backbone interact. energy: -0.256 local terms energy: -377.928773 where: bonds (distance) C4'-P energy: -72.797 bonds (distance) P-C4' energy: -89.307 flat angles C4'-P-C4' energy: -90.776 flat angles P-C4'-P energy: -56.174 tors. eta vs tors. theta energy: -68.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -882.883630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.883630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.883630 (E_RNA) where: Base-Base interactions energy: -489.982 where: short stacking energy: -238.729 Base-Backbone interact. energy: -1.931 local terms energy: -390.970612 where: bonds (distance) C4'-P energy: -99.707 bonds (distance) P-C4' energy: -103.798 flat angles C4'-P-C4' energy: -89.844 flat angles P-C4'-P energy: -60.712 tors. eta vs tors. theta energy: -36.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -517.383268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.383268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.383268 (E_RNA) where: Base-Base interactions energy: -221.477 where: short stacking energy: -148.684 Base-Backbone interact. energy: -0.306 local terms energy: -295.600978 where: bonds (distance) C4'-P energy: -92.391 bonds (distance) P-C4' energy: -98.874 flat angles C4'-P-C4' energy: -86.964 flat angles P-C4'-P energy: -43.351 tors. eta vs tors. theta energy: 25.979 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: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1978.308551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.308551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.308551 (E_RNA) where: Base-Base interactions energy: -1345.926 where: short stacking energy: -582.760 Base-Backbone interact. energy: -1.610 local terms energy: -630.773062 where: bonds (distance) C4'-P energy: -105.186 bonds (distance) P-C4' energy: -119.842 flat angles C4'-P-C4' energy: -140.638 flat angles P-C4'-P energy: -90.485 tors. eta vs tors. theta energy: -174.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1888.308005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.308005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.308005 (E_RNA) where: Base-Base interactions energy: -1310.161 where: short stacking energy: -579.108 Base-Backbone interact. energy: -1.456 local terms energy: -576.690766 where: bonds (distance) C4'-P energy: -104.415 bonds (distance) P-C4' energy: -108.807 flat angles C4'-P-C4' energy: -125.447 flat angles P-C4'-P energy: -77.254 tors. eta vs tors. theta energy: -160.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1762.810244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.810244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.810244 (E_RNA) where: Base-Base interactions energy: -1219.413 where: short stacking energy: -517.849 Base-Backbone interact. energy: -3.893 local terms energy: -539.504749 where: bonds (distance) C4'-P energy: -89.170 bonds (distance) P-C4' energy: -118.072 flat angles C4'-P-C4' energy: -119.320 flat angles P-C4'-P energy: -72.385 tors. eta vs tors. theta energy: -140.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1754.887473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.887473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.887473 (E_RNA) where: Base-Base interactions energy: -1204.400 where: short stacking energy: -535.247 Base-Backbone interact. energy: -3.870 local terms energy: -546.617087 where: bonds (distance) C4'-P energy: -97.727 bonds (distance) P-C4' energy: -103.987 flat angles C4'-P-C4' energy: -129.546 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -138.344 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: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1623.661355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.661355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.661355 (E_RNA) where: Base-Base interactions energy: -1088.965 where: short stacking energy: -443.502 Base-Backbone interact. energy: -3.086 local terms energy: -531.610277 where: bonds (distance) C4'-P energy: -110.543 bonds (distance) P-C4' energy: -105.217 flat angles C4'-P-C4' energy: -112.675 flat angles P-C4'-P energy: -74.460 tors. eta vs tors. theta energy: -128.716 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: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1324.655410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.655410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.655410 (E_RNA) where: Base-Base interactions energy: -830.343 where: short stacking energy: -408.491 Base-Backbone interact. energy: 0.604 local terms energy: -494.916452 where: bonds (distance) C4'-P energy: -91.242 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -105.776 flat angles P-C4'-P energy: -64.648 tors. eta vs tors. theta energy: -101.754 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: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1145.840007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.840007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.840007 (E_RNA) where: Base-Base interactions energy: -699.010 where: short stacking energy: -361.427 Base-Backbone interact. energy: -3.355 local terms energy: -443.475303 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -96.904 flat angles C4'-P-C4' energy: -97.588 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -87.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1073.637478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.637478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.637478 (E_RNA) where: Base-Base interactions energy: -693.554 where: short stacking energy: -318.519 Base-Backbone interact. energy: -2.483 local terms energy: -377.600411 where: bonds (distance) C4'-P energy: -88.491 bonds (distance) P-C4' energy: -96.629 flat angles C4'-P-C4' energy: -72.153 flat angles P-C4'-P energy: -67.048 tors. eta vs tors. theta energy: -53.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -904.650786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.650786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.650786 (E_RNA) where: Base-Base interactions energy: -540.607 where: short stacking energy: -265.110 Base-Backbone interact. energy: 0.975 local terms energy: -365.018656 where: bonds (distance) C4'-P energy: -89.099 bonds (distance) P-C4' energy: -94.082 flat angles C4'-P-C4' energy: -83.682 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -41.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -578.186121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.186121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.186121 (E_RNA) where: Base-Base interactions energy: -257.881 where: short stacking energy: -164.360 Base-Backbone interact. energy: 2.048 local terms energy: -322.353398 where: bonds (distance) C4'-P energy: -99.319 bonds (distance) P-C4' energy: -96.872 flat angles C4'-P-C4' energy: -75.778 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -0.155 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: 236 Temperature: 0.900000 Total energy: -2010.939601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.939601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.939601 (E_RNA) where: Base-Base interactions energy: -1392.321 where: short stacking energy: -598.427 Base-Backbone interact. energy: 0.374 local terms energy: -618.992011 where: bonds (distance) C4'-P energy: -110.780 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -136.055 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -173.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1893.470247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.470247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.470247 (E_RNA) where: Base-Base interactions energy: -1266.129 where: short stacking energy: -564.981 Base-Backbone interact. energy: -1.682 local terms energy: -625.659011 where: bonds (distance) C4'-P energy: -123.671 bonds (distance) P-C4' energy: -126.208 flat angles C4'-P-C4' energy: -123.246 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -165.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1855.932065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.932065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.932065 (E_RNA) where: Base-Base interactions energy: -1281.231 where: short stacking energy: -559.471 Base-Backbone interact. energy: -2.108 local terms energy: -572.593341 where: bonds (distance) C4'-P energy: -95.196 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -128.980 flat angles P-C4'-P energy: -72.264 tors. eta vs tors. theta energy: -166.688 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: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1757.624020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.624020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.624020 (E_RNA) where: Base-Base interactions energy: -1206.210 where: short stacking energy: -534.079 Base-Backbone interact. energy: -2.800 local terms energy: -548.614496 where: bonds (distance) C4'-P energy: -102.282 bonds (distance) P-C4' energy: -112.996 flat angles C4'-P-C4' energy: -127.096 flat angles P-C4'-P energy: -65.218 tors. eta vs tors. theta energy: -141.022 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: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1652.939934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.939934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.939934 (E_RNA) where: Base-Base interactions energy: -1144.592 where: short stacking energy: -481.150 Base-Backbone interact. energy: -1.618 local terms energy: -506.729678 where: bonds (distance) C4'-P energy: -89.352 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -105.720 flat angles P-C4'-P energy: -71.278 tors. eta vs tors. theta energy: -126.214 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: 236 Temperature: 1.150000 Total energy: -1342.238212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.238212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.238212 (E_RNA) where: Base-Base interactions energy: -861.408 where: short stacking energy: -393.323 Base-Backbone interact. energy: -0.627 local terms energy: -480.203229 where: bonds (distance) C4'-P energy: -105.804 bonds (distance) P-C4' energy: -97.367 flat angles C4'-P-C4' energy: -121.727 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -88.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1209.231185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.231185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.231185 (E_RNA) where: Base-Base interactions energy: -714.327 where: short stacking energy: -337.786 Base-Backbone interact. energy: 0.260 local terms energy: -495.164593 where: bonds (distance) C4'-P energy: -121.870 bonds (distance) P-C4' energy: -113.326 flat angles C4'-P-C4' energy: -104.975 flat angles P-C4'-P energy: -77.289 tors. eta vs tors. theta energy: -77.705 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: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1140.646921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.646921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.646921 (E_RNA) where: Base-Base interactions energy: -725.887 where: short stacking energy: -343.791 Base-Backbone interact. energy: -1.254 local terms energy: -413.506124 where: bonds (distance) C4'-P energy: -83.863 bonds (distance) P-C4' energy: -100.803 flat angles C4'-P-C4' energy: -107.914 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -65.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -876.850676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.850676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.850676 (E_RNA) where: Base-Base interactions energy: -505.740 where: short stacking energy: -241.120 Base-Backbone interact. energy: -2.199 local terms energy: -368.911288 where: bonds (distance) C4'-P energy: -83.534 bonds (distance) P-C4' energy: -101.246 flat angles C4'-P-C4' energy: -96.645 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: -33.426 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: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -545.534816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.534816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.534816 (E_RNA) where: Base-Base interactions energy: -243.258 where: short stacking energy: -153.551 Base-Backbone interact. energy: 4.012 local terms energy: -306.289253 where: bonds (distance) C4'-P energy: -88.112 bonds (distance) P-C4' energy: -83.440 flat angles C4'-P-C4' energy: -88.156 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: 0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1973.160038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.160038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.160038 (E_RNA) where: Base-Base interactions energy: -1341.934 where: short stacking energy: -587.173 Base-Backbone interact. energy: -2.121 local terms energy: -629.105124 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -122.645 flat angles C4'-P-C4' energy: -132.837 flat angles P-C4'-P energy: -90.127 tors. eta vs tors. theta energy: -176.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1885.001959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.001959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.001959 (E_RNA) where: Base-Base interactions energy: -1284.681 where: short stacking energy: -562.590 Base-Backbone interact. energy: -2.017 local terms energy: -598.303731 where: bonds (distance) C4'-P energy: -123.121 bonds (distance) P-C4' energy: -106.490 flat angles C4'-P-C4' energy: -118.149 flat angles P-C4'-P energy: -90.675 tors. eta vs tors. theta energy: -159.868 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: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1788.204306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.204306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.204306 (E_RNA) where: Base-Base interactions energy: -1217.535 where: short stacking energy: -527.929 Base-Backbone interact. energy: -2.762 local terms energy: -567.906877 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -113.066 flat angles C4'-P-C4' energy: -125.912 flat angles P-C4'-P energy: -80.280 tors. eta vs tors. theta energy: -145.917 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: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1745.836028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.836028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.836028 (E_RNA) where: Base-Base interactions energy: -1170.105 where: short stacking energy: -502.942 Base-Backbone interact. energy: -2.559 local terms energy: -573.172294 where: bonds (distance) C4'-P energy: -110.418 bonds (distance) P-C4' energy: -113.710 flat angles C4'-P-C4' energy: -121.393 flat angles P-C4'-P energy: -74.871 tors. eta vs tors. theta energy: -152.780 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: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1632.164077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.164077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.164077 (E_RNA) where: Base-Base interactions energy: -1133.530 where: short stacking energy: -488.672 Base-Backbone interact. energy: -1.896 local terms energy: -496.737718 where: bonds (distance) C4'-P energy: -88.984 bonds (distance) P-C4' energy: -101.607 flat angles C4'-P-C4' energy: -110.398 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -122.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1238.052138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.052138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.052138 (E_RNA) where: Base-Base interactions energy: -769.598 where: short stacking energy: -339.614 Base-Backbone interact. energy: 0.996 local terms energy: -469.450233 where: bonds (distance) C4'-P energy: -95.476 bonds (distance) P-C4' energy: -105.216 flat angles C4'-P-C4' energy: -116.463 flat angles P-C4'-P energy: -74.392 tors. eta vs tors. theta energy: -77.902 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: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1126.677657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.677657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.677657 (E_RNA) where: Base-Base interactions energy: -698.342 where: short stacking energy: -339.704 Base-Backbone interact. energy: 0.455 local terms energy: -428.790822 where: bonds (distance) C4'-P energy: -87.176 bonds (distance) P-C4' energy: -99.229 flat angles C4'-P-C4' energy: -99.359 flat angles P-C4'-P energy: -50.082 tors. eta vs tors. theta energy: -92.945 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1073.792335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.792335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.792335 (E_RNA) where: Base-Base interactions energy: -677.339 where: short stacking energy: -321.344 Base-Backbone interact. energy: -2.137 local terms energy: -394.316296 where: bonds (distance) C4'-P energy: -76.771 bonds (distance) P-C4' energy: -96.854 flat angles C4'-P-C4' energy: -99.602 flat angles P-C4'-P energy: -60.937 tors. eta vs tors. theta energy: -60.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -871.683229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.683229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.683229 (E_RNA) where: Base-Base interactions energy: -482.936 where: short stacking energy: -261.312 Base-Backbone interact. energy: 2.763 local terms energy: -391.509449 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -96.098 flat angles C4'-P-C4' energy: -94.352 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -36.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -533.648535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.648535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.648535 (E_RNA) where: Base-Base interactions energy: -212.954 where: short stacking energy: -143.862 Base-Backbone interact. energy: 2.364 local terms energy: -323.059144 where: bonds (distance) C4'-P energy: -95.103 bonds (distance) P-C4' energy: -97.845 flat angles C4'-P-C4' energy: -85.623 flat angles P-C4'-P energy: -56.929 tors. eta vs tors. theta energy: 12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1964.956742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.956742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.956742 (E_RNA) where: Base-Base interactions energy: -1327.801 where: short stacking energy: -591.281 Base-Backbone interact. energy: -2.029 local terms energy: -635.126246 where: bonds (distance) C4'-P energy: -108.411 bonds (distance) P-C4' energy: -134.783 flat angles C4'-P-C4' energy: -147.526 flat angles P-C4'-P energy: -82.401 tors. eta vs tors. theta energy: -162.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1912.973742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.973742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.973742 (E_RNA) where: Base-Base interactions energy: -1313.168 where: short stacking energy: -575.324 Base-Backbone interact. energy: -2.529 local terms energy: -597.277637 where: bonds (distance) C4'-P energy: -117.199 bonds (distance) P-C4' energy: -98.811 flat angles C4'-P-C4' energy: -130.970 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -162.550 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: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1830.831468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.831468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.831468 (E_RNA) where: Base-Base interactions energy: -1265.772 where: short stacking energy: -574.865 Base-Backbone interact. energy: 0.138 local terms energy: -565.197925 where: bonds (distance) C4'-P energy: -97.769 bonds (distance) P-C4' energy: -90.837 flat angles C4'-P-C4' energy: -125.810 flat angles P-C4'-P energy: -83.476 tors. eta vs tors. theta energy: -167.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1750.493057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.493057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.493057 (E_RNA) where: Base-Base interactions energy: -1200.770 where: short stacking energy: -523.300 Base-Backbone interact. energy: 3.250 local terms energy: -552.973082 where: bonds (distance) C4'-P energy: -91.208 bonds (distance) P-C4' energy: -110.287 flat angles C4'-P-C4' energy: -119.100 flat angles P-C4'-P energy: -85.673 tors. eta vs tors. theta energy: -146.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1597.718755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.718755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.718755 (E_RNA) where: Base-Base interactions energy: -1075.665 where: short stacking energy: -446.551 Base-Backbone interact. energy: 3.015 local terms energy: -525.069213 where: bonds (distance) C4'-P energy: -101.075 bonds (distance) P-C4' energy: -109.129 flat angles C4'-P-C4' energy: -109.123 flat angles P-C4'-P energy: -83.260 tors. eta vs tors. theta energy: -122.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1250.129464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.129464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.129464 (E_RNA) where: Base-Base interactions energy: -795.220 where: short stacking energy: -351.020 Base-Backbone interact. energy: -3.977 local terms energy: -450.932534 where: bonds (distance) C4'-P energy: -96.457 bonds (distance) P-C4' energy: -117.971 flat angles C4'-P-C4' energy: -94.800 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -61.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1117.377390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.377390 (E_RNA) where: Base-Base interactions energy: -689.186 where: short stacking energy: -355.266 Base-Backbone interact. energy: -1.081 local terms energy: -427.111157 where: bonds (distance) C4'-P energy: -87.731 bonds (distance) P-C4' energy: -87.850 flat angles C4'-P-C4' energy: -106.441 flat angles P-C4'-P energy: -73.963 tors. eta vs tors. theta energy: -71.126 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: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1068.770688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.770688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.770688 (E_RNA) where: Base-Base interactions energy: -648.510 where: short stacking energy: -320.098 Base-Backbone interact. energy: 2.561 local terms energy: -422.822386 where: bonds (distance) C4'-P energy: -98.726 bonds (distance) P-C4' energy: -99.263 flat angles C4'-P-C4' energy: -91.651 flat angles P-C4'-P energy: -62.169 tors. eta vs tors. theta energy: -71.013 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: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -862.379165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.379165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.379165 (E_RNA) where: Base-Base interactions energy: -464.840 where: short stacking energy: -221.818 Base-Backbone interact. energy: -1.460 local terms energy: -396.079624 where: bonds (distance) C4'-P energy: -101.494 bonds (distance) P-C4' energy: -106.444 flat angles C4'-P-C4' energy: -95.443 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -26.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -541.895309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.895309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.895309 (E_RNA) where: Base-Base interactions energy: -254.637 where: short stacking energy: -154.339 Base-Backbone interact. energy: -1.172 local terms energy: -286.085740 where: bonds (distance) C4'-P energy: -82.994 bonds (distance) P-C4' energy: -101.078 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: 2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1987.766167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.766167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.766167 (E_RNA) where: Base-Base interactions energy: -1368.247 where: short stacking energy: -591.643 Base-Backbone interact. energy: -0.903 local terms energy: -618.616499 where: bonds (distance) C4'-P energy: -109.690 bonds (distance) P-C4' energy: -104.050 flat angles C4'-P-C4' energy: -129.117 flat angles P-C4'-P energy: -104.767 tors. eta vs tors. theta energy: -170.992 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: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1938.810589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.810589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.810589 (E_RNA) where: Base-Base interactions energy: -1342.967 where: short stacking energy: -568.039 Base-Backbone interact. energy: -1.292 local terms energy: -594.550978 where: bonds (distance) C4'-P energy: -118.567 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -121.224 flat angles P-C4'-P energy: -71.077 tors. eta vs tors. theta energy: -167.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1816.881915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.881915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.881915 (E_RNA) where: Base-Base interactions energy: -1226.684 where: short stacking energy: -548.529 Base-Backbone interact. energy: -0.883 local terms energy: -589.315481 where: bonds (distance) C4'-P energy: -115.192 bonds (distance) P-C4' energy: -112.290 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -81.082 tors. eta vs tors. theta energy: -159.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1750.512662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.512662 (E_RNA) where: Base-Base interactions energy: -1183.888 where: short stacking energy: -509.647 Base-Backbone interact. energy: 0.262 local terms energy: -566.886963 where: bonds (distance) C4'-P energy: -97.112 bonds (distance) P-C4' energy: -123.051 flat angles C4'-P-C4' energy: -127.384 flat angles P-C4'-P energy: -78.866 tors. eta vs tors. theta energy: -140.474 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1614.363987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.363987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.363987 (E_RNA) where: Base-Base interactions energy: -1113.899 where: short stacking energy: -471.357 Base-Backbone interact. energy: -0.324 local terms energy: -500.140611 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -97.248 flat angles C4'-P-C4' energy: -116.650 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -133.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1279.777478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.777478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.777478 (E_RNA) where: Base-Base interactions energy: -828.146 where: short stacking energy: -348.719 Base-Backbone interact. energy: 2.052 local terms energy: -453.683318 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -104.901 flat angles C4'-P-C4' energy: -103.464 flat angles P-C4'-P energy: -80.001 tors. eta vs tors. theta energy: -77.414 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: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1160.182584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.182584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.182584 (E_RNA) where: Base-Base interactions energy: -704.224 where: short stacking energy: -358.241 Base-Backbone interact. energy: 0.825 local terms energy: -456.783060 where: bonds (distance) C4'-P energy: -83.440 bonds (distance) P-C4' energy: -110.027 flat angles C4'-P-C4' energy: -102.991 flat angles P-C4'-P energy: -78.356 tors. eta vs tors. theta energy: -81.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1012.603424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.603424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.603424 (E_RNA) where: Base-Base interactions energy: -584.806 where: short stacking energy: -274.845 Base-Backbone interact. energy: -0.305 local terms energy: -427.492686 where: bonds (distance) C4'-P energy: -89.491 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -75.340 tors. eta vs tors. theta energy: -62.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -927.663183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.663183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.663183 (E_RNA) where: Base-Base interactions energy: -520.918 where: short stacking energy: -288.475 Base-Backbone interact. energy: -0.885 local terms energy: -405.859888 where: bonds (distance) C4'-P energy: -108.780 bonds (distance) P-C4' energy: -101.205 flat angles C4'-P-C4' energy: -96.077 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -47.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -555.598934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.598934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.598934 (E_RNA) where: Base-Base interactions energy: -253.456 where: short stacking energy: -157.530 Base-Backbone interact. energy: 2.105 local terms energy: -304.247814 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -123.270 flat angles C4'-P-C4' energy: -81.013 flat angles P-C4'-P energy: -39.798 tors. eta vs tors. theta energy: 21.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2000.813082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.813082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.813082 (E_RNA) where: Base-Base interactions energy: -1384.633 where: short stacking energy: -609.131 Base-Backbone interact. energy: -0.601 local terms energy: -615.578570 where: bonds (distance) C4'-P energy: -110.641 bonds (distance) P-C4' energy: -121.112 flat angles C4'-P-C4' energy: -130.797 flat angles P-C4'-P energy: -76.989 tors. eta vs tors. theta energy: -176.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1962.541838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.541838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.541838 (E_RNA) where: Base-Base interactions energy: -1342.830 where: short stacking energy: -598.866 Base-Backbone interact. energy: -1.540 local terms energy: -618.171860 where: bonds (distance) C4'-P energy: -108.525 bonds (distance) P-C4' energy: -115.139 flat angles C4'-P-C4' energy: -129.819 flat angles P-C4'-P energy: -95.748 tors. eta vs tors. theta energy: -168.942 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: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1817.798676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.798676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.798676 (E_RNA) where: Base-Base interactions energy: -1229.200 where: short stacking energy: -547.910 Base-Backbone interact. energy: -3.590 local terms energy: -585.008474 where: bonds (distance) C4'-P energy: -114.377 bonds (distance) P-C4' energy: -108.597 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -77.243 tors. eta vs tors. theta energy: -163.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1745.875307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.875307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.875307 (E_RNA) where: Base-Base interactions energy: -1192.780 where: short stacking energy: -486.435 Base-Backbone interact. energy: -0.535 local terms energy: -552.560894 where: bonds (distance) C4'-P energy: -123.775 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -119.241 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -138.719 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: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1657.441701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.441701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.441701 (E_RNA) where: Base-Base interactions energy: -1099.027 where: short stacking energy: -470.055 Base-Backbone interact. energy: -3.455 local terms energy: -554.959129 where: bonds (distance) C4'-P energy: -107.302 bonds (distance) P-C4' energy: -116.509 flat angles C4'-P-C4' energy: -118.915 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -141.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1391.030510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.030510 (E_RNA) where: Base-Base interactions energy: -910.757 where: short stacking energy: -386.967 Base-Backbone interact. energy: -2.572 local terms energy: -477.700830 where: bonds (distance) C4'-P energy: -97.207 bonds (distance) P-C4' energy: -111.101 flat angles C4'-P-C4' energy: -106.713 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -89.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1178.397363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.397363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.397363 (E_RNA) where: Base-Base interactions energy: -728.411 where: short stacking energy: -333.580 Base-Backbone interact. energy: -1.373 local terms energy: -448.612749 where: bonds (distance) C4'-P energy: -106.369 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -95.171 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -81.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1039.687035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.687035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.687035 (E_RNA) where: Base-Base interactions energy: -647.109 where: short stacking energy: -315.674 Base-Backbone interact. energy: 3.447 local terms energy: -396.024884 where: bonds (distance) C4'-P energy: -97.233 bonds (distance) P-C4' energy: -87.106 flat angles C4'-P-C4' energy: -97.906 flat angles P-C4'-P energy: -63.912 tors. eta vs tors. theta energy: -49.867 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: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -859.507299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.507299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.507299 (E_RNA) where: Base-Base interactions energy: -499.007 where: short stacking energy: -260.061 Base-Backbone interact. energy: 1.790 local terms energy: -362.290260 where: bonds (distance) C4'-P energy: -89.035 bonds (distance) P-C4' energy: -82.077 flat angles C4'-P-C4' energy: -102.896 flat angles P-C4'-P energy: -57.353 tors. eta vs tors. theta energy: -30.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -544.774971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.774971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.774971 (E_RNA) where: Base-Base interactions energy: -219.932 where: short stacking energy: -119.325 Base-Backbone interact. energy: 3.589 local terms energy: -328.432552 where: bonds (distance) C4'-P energy: -99.199 bonds (distance) P-C4' energy: -114.199 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: 18.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1966.651085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.651085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.651085 (E_RNA) where: Base-Base interactions energy: -1356.113 where: short stacking energy: -589.192 Base-Backbone interact. energy: 0.356 local terms energy: -610.893765 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -115.383 flat angles C4'-P-C4' energy: -135.620 flat angles P-C4'-P energy: -85.873 tors. eta vs tors. theta energy: -159.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1930.085517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.085517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.085517 (E_RNA) where: Base-Base interactions energy: -1326.771 where: short stacking energy: -566.793 Base-Backbone interact. energy: 0.056 local terms energy: -603.370520 where: bonds (distance) C4'-P energy: -100.885 bonds (distance) P-C4' energy: -117.200 flat angles C4'-P-C4' energy: -140.611 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -166.083 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1876.284029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.284029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.284029 (E_RNA) where: Base-Base interactions energy: -1252.406 where: short stacking energy: -549.450 Base-Backbone interact. energy: 2.242 local terms energy: -626.120288 where: bonds (distance) C4'-P energy: -105.635 bonds (distance) P-C4' energy: -124.074 flat angles C4'-P-C4' energy: -134.709 flat angles P-C4'-P energy: -90.800 tors. eta vs tors. theta energy: -170.903 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: 241 Temperature: 1.050000 Total energy: -1736.361881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.361881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.361881 (E_RNA) where: Base-Base interactions energy: -1211.024 where: short stacking energy: -499.294 Base-Backbone interact. energy: -0.336 local terms energy: -525.001191 where: bonds (distance) C4'-P energy: -102.457 bonds (distance) P-C4' energy: -106.212 flat angles C4'-P-C4' energy: -115.342 flat angles P-C4'-P energy: -76.811 tors. eta vs tors. theta energy: -124.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1675.973431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.973431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.973431 (E_RNA) where: Base-Base interactions energy: -1122.825 where: short stacking energy: -473.991 Base-Backbone interact. energy: 2.215 local terms energy: -555.363882 where: bonds (distance) C4'-P energy: -105.514 bonds (distance) P-C4' energy: -114.131 flat angles C4'-P-C4' energy: -107.316 flat angles P-C4'-P energy: -87.524 tors. eta vs tors. theta energy: -140.880 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: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1319.612555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.612555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.612555 (E_RNA) where: Base-Base interactions energy: -893.734 where: short stacking energy: -384.194 Base-Backbone interact. energy: -2.456 local terms energy: -423.422639 where: bonds (distance) C4'-P energy: -82.844 bonds (distance) P-C4' energy: -99.242 flat angles C4'-P-C4' energy: -100.408 flat angles P-C4'-P energy: -61.945 tors. eta vs tors. theta energy: -78.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1192.153365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.153365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.153365 (E_RNA) where: Base-Base interactions energy: -734.996 where: short stacking energy: -355.037 Base-Backbone interact. energy: -1.582 local terms energy: -455.575615 where: bonds (distance) C4'-P energy: -100.449 bonds (distance) P-C4' energy: -100.030 flat angles C4'-P-C4' energy: -99.755 flat angles P-C4'-P energy: -68.249 tors. eta vs tors. theta energy: -87.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1102.561210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.561210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.561210 (E_RNA) where: Base-Base interactions energy: -675.696 where: short stacking energy: -308.891 Base-Backbone interact. energy: 4.156 local terms energy: -431.020993 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -114.816 flat angles C4'-P-C4' energy: -79.642 flat angles P-C4'-P energy: -85.437 tors. eta vs tors. theta energy: -54.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -821.366709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.366709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.366709 (E_RNA) where: Base-Base interactions energy: -479.934 where: short stacking energy: -240.670 Base-Backbone interact. energy: 0.098 local terms energy: -341.531103 where: bonds (distance) C4'-P energy: -94.968 bonds (distance) P-C4' energy: -100.175 flat angles C4'-P-C4' energy: -74.031 flat angles P-C4'-P energy: -48.158 tors. eta vs tors. theta energy: -24.199 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: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -555.291004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.291004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.291004 (E_RNA) where: Base-Base interactions energy: -267.350 where: short stacking energy: -158.236 Base-Backbone interact. energy: 7.414 local terms energy: -295.355352 where: bonds (distance) C4'-P energy: -88.184 bonds (distance) P-C4' energy: -95.861 flat angles C4'-P-C4' energy: -80.081 flat angles P-C4'-P energy: -54.440 tors. eta vs tors. theta energy: 23.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1975.248376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.248376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.248376 (E_RNA) where: Base-Base interactions energy: -1338.788 where: short stacking energy: -565.892 Base-Backbone interact. energy: -1.347 local terms energy: -635.113894 where: bonds (distance) C4'-P energy: -110.647 bonds (distance) P-C4' energy: -121.977 flat angles C4'-P-C4' energy: -140.114 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: -168.267 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1945.225740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.225740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.225740 (E_RNA) where: Base-Base interactions energy: -1335.858 where: short stacking energy: -595.647 Base-Backbone interact. energy: -1.358 local terms energy: -608.010057 where: bonds (distance) C4'-P energy: -98.259 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -122.817 flat angles P-C4'-P energy: -96.515 tors. eta vs tors. theta energy: -171.329 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: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1847.407109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.407109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.407109 (E_RNA) where: Base-Base interactions energy: -1265.830 where: short stacking energy: -567.515 Base-Backbone interact. energy: -2.356 local terms energy: -579.221040 where: bonds (distance) C4'-P energy: -100.412 bonds (distance) P-C4' energy: -104.097 flat angles C4'-P-C4' energy: -126.598 flat angles P-C4'-P energy: -80.418 tors. eta vs tors. theta energy: -167.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1741.528088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.528088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.528088 (E_RNA) where: Base-Base interactions energy: -1196.546 where: short stacking energy: -505.363 Base-Backbone interact. energy: -4.460 local terms energy: -540.521285 where: bonds (distance) C4'-P energy: -94.361 bonds (distance) P-C4' energy: -109.719 flat angles C4'-P-C4' energy: -110.406 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -145.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1664.904092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.904092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.904092 (E_RNA) where: Base-Base interactions energy: -1130.089 where: short stacking energy: -489.289 Base-Backbone interact. energy: -1.200 local terms energy: -533.615514 where: bonds (distance) C4'-P energy: -107.517 bonds (distance) P-C4' energy: -98.972 flat angles C4'-P-C4' energy: -122.180 flat angles P-C4'-P energy: -71.212 tors. eta vs tors. theta energy: -133.734 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: 242 Temperature: 1.150000 Total energy: -1215.133738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.133738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.133738 (E_RNA) where: Base-Base interactions energy: -790.459 where: short stacking energy: -342.434 Base-Backbone interact. energy: 4.414 local terms energy: -429.088833 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -97.668 flat angles C4'-P-C4' energy: -108.186 flat angles P-C4'-P energy: -64.961 tors. eta vs tors. theta energy: -66.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1187.718845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.718845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.718845 (E_RNA) where: Base-Base interactions energy: -758.786 where: short stacking energy: -343.990 Base-Backbone interact. energy: 0.285 local terms energy: -429.217588 where: bonds (distance) C4'-P energy: -91.186 bonds (distance) P-C4' energy: -96.792 flat angles C4'-P-C4' energy: -102.531 flat angles P-C4'-P energy: -66.909 tors. eta vs tors. theta energy: -71.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1116.282087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.282087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.282087 (E_RNA) where: Base-Base interactions energy: -669.014 where: short stacking energy: -315.729 Base-Backbone interact. energy: 0.911 local terms energy: -448.179222 where: bonds (distance) C4'-P energy: -101.326 bonds (distance) P-C4' energy: -105.011 flat angles C4'-P-C4' energy: -119.286 flat angles P-C4'-P energy: -61.009 tors. eta vs tors. theta energy: -61.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -774.764523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.764523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.764523 (E_RNA) where: Base-Base interactions energy: -419.891 where: short stacking energy: -198.261 Base-Backbone interact. energy: 3.774 local terms energy: -358.647627 where: bonds (distance) C4'-P energy: -92.281 bonds (distance) P-C4' energy: -108.343 flat angles C4'-P-C4' energy: -104.271 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -553.742192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.742192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.742192 (E_RNA) where: Base-Base interactions energy: -255.531 where: short stacking energy: -178.252 Base-Backbone interact. energy: 2.086 local terms energy: -300.296949 where: bonds (distance) C4'-P energy: -85.903 bonds (distance) P-C4' energy: -93.114 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: 17.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1981.433226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.433226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.433226 (E_RNA) where: Base-Base interactions energy: -1343.314 where: short stacking energy: -581.797 Base-Backbone interact. energy: -1.263 local terms energy: -636.855991 where: bonds (distance) C4'-P energy: -113.409 bonds (distance) P-C4' energy: -122.471 flat angles C4'-P-C4' energy: -130.978 flat angles P-C4'-P energy: -92.152 tors. eta vs tors. theta energy: -177.845 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: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1915.680474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.680474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.680474 (E_RNA) where: Base-Base interactions energy: -1317.549 where: short stacking energy: -592.006 Base-Backbone interact. energy: -3.484 local terms energy: -594.647776 where: bonds (distance) C4'-P energy: -96.244 bonds (distance) P-C4' energy: -114.763 flat angles C4'-P-C4' energy: -130.957 flat angles P-C4'-P energy: -83.185 tors. eta vs tors. theta energy: -169.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1832.387189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.387189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.387189 (E_RNA) where: Base-Base interactions energy: -1230.882 where: short stacking energy: -562.421 Base-Backbone interact. energy: -3.107 local terms energy: -598.397966 where: bonds (distance) C4'-P energy: -101.614 bonds (distance) P-C4' energy: -114.063 flat angles C4'-P-C4' energy: -132.770 flat angles P-C4'-P energy: -84.725 tors. eta vs tors. theta energy: -165.226 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: 243 Temperature: 1.050000 Total energy: -1723.469493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.469493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.469493 (E_RNA) where: Base-Base interactions energy: -1169.516 where: short stacking energy: -489.176 Base-Backbone interact. energy: 0.952 local terms energy: -554.905402 where: bonds (distance) C4'-P energy: -101.654 bonds (distance) P-C4' energy: -118.911 flat angles C4'-P-C4' energy: -119.953 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -134.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1625.548345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.548345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.548345 (E_RNA) where: Base-Base interactions energy: -1089.372 where: short stacking energy: -461.481 Base-Backbone interact. energy: -2.158 local terms energy: -534.018696 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -102.209 flat angles C4'-P-C4' energy: -123.293 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: -129.053 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: 243 Temperature: 1.150000 Total energy: -1330.381445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.381445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.381445 (E_RNA) where: Base-Base interactions energy: -867.842 where: short stacking energy: -379.393 Base-Backbone interact. energy: 0.985 local terms energy: -463.523977 where: bonds (distance) C4'-P energy: -96.372 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -112.329 flat angles P-C4'-P energy: -57.044 tors. eta vs tors. theta energy: -78.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1117.507617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.507617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.507617 (E_RNA) where: Base-Base interactions energy: -672.649 where: short stacking energy: -327.340 Base-Backbone interact. energy: 2.424 local terms energy: -447.282512 where: bonds (distance) C4'-P energy: -105.716 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -107.227 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -70.221 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: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1034.000621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.000621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.000621 (E_RNA) where: Base-Base interactions energy: -615.954 where: short stacking energy: -320.531 Base-Backbone interact. energy: -2.046 local terms energy: -416.000440 where: bonds (distance) C4'-P energy: -85.789 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -100.414 flat angles P-C4'-P energy: -54.813 tors. eta vs tors. theta energy: -63.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -792.451204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.451204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.451204 (E_RNA) where: Base-Base interactions energy: -418.668 where: short stacking energy: -205.529 Base-Backbone interact. energy: 0.328 local terms energy: -374.111012 where: bonds (distance) C4'-P energy: -83.784 bonds (distance) P-C4' energy: -113.543 flat angles C4'-P-C4' energy: -86.560 flat angles P-C4'-P energy: -70.585 tors. eta vs tors. theta energy: -19.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -593.724493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.724493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.724493 (E_RNA) where: Base-Base interactions energy: -287.158 where: short stacking energy: -179.466 Base-Backbone interact. energy: -0.282 local terms energy: -306.283903 where: bonds (distance) C4'-P energy: -82.308 bonds (distance) P-C4' energy: -93.720 flat angles C4'-P-C4' energy: -62.973 flat angles P-C4'-P energy: -70.180 tors. eta vs tors. theta energy: 2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1995.105042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.105042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.105042 (E_RNA) where: Base-Base interactions energy: -1377.683 where: short stacking energy: -619.184 Base-Backbone interact. energy: -0.850 local terms energy: -616.571167 where: bonds (distance) C4'-P energy: -106.489 bonds (distance) P-C4' energy: -109.955 flat angles C4'-P-C4' energy: -132.068 flat angles P-C4'-P energy: -84.331 tors. eta vs tors. theta energy: -183.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1966.928006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.928006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.928006 (E_RNA) where: Base-Base interactions energy: -1336.072 where: short stacking energy: -602.653 Base-Backbone interact. energy: 0.759 local terms energy: -631.614668 where: bonds (distance) C4'-P energy: -110.282 bonds (distance) P-C4' energy: -112.897 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -178.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1813.687278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.687278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.687278 (E_RNA) where: Base-Base interactions energy: -1251.756 where: short stacking energy: -534.811 Base-Backbone interact. energy: -1.394 local terms energy: -560.537535 where: bonds (distance) C4'-P energy: -111.593 bonds (distance) P-C4' energy: -107.475 flat angles C4'-P-C4' energy: -123.117 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -152.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1752.946221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.946221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.946221 (E_RNA) where: Base-Base interactions energy: -1187.161 where: short stacking energy: -508.813 Base-Backbone interact. energy: 2.035 local terms energy: -567.820321 where: bonds (distance) C4'-P energy: -115.002 bonds (distance) P-C4' energy: -95.512 flat angles C4'-P-C4' energy: -115.816 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -157.840 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: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1625.770240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.770240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.770240 (E_RNA) where: Base-Base interactions energy: -1095.346 where: short stacking energy: -472.935 Base-Backbone interact. energy: -2.751 local terms energy: -527.673006 where: bonds (distance) C4'-P energy: -95.655 bonds (distance) P-C4' energy: -107.857 flat angles C4'-P-C4' energy: -113.376 flat angles P-C4'-P energy: -71.508 tors. eta vs tors. theta energy: -139.277 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: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1305.743464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.743464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.743464 (E_RNA) where: Base-Base interactions energy: -848.321 where: short stacking energy: -376.109 Base-Backbone interact. energy: -0.620 local terms energy: -456.801965 where: bonds (distance) C4'-P energy: -103.400 bonds (distance) P-C4' energy: -108.691 flat angles C4'-P-C4' energy: -109.893 flat angles P-C4'-P energy: -68.200 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: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1147.377835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.377835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.377835 (E_RNA) where: Base-Base interactions energy: -713.829 where: short stacking energy: -350.541 Base-Backbone interact. energy: -3.181 local terms energy: -430.366883 where: bonds (distance) C4'-P energy: -98.595 bonds (distance) P-C4' energy: -101.217 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -68.670 tors. eta vs tors. theta energy: -79.167 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: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -995.587323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.587323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.587323 (E_RNA) where: Base-Base interactions energy: -617.458 where: short stacking energy: -293.699 Base-Backbone interact. energy: 3.734 local terms energy: -381.863005 where: bonds (distance) C4'-P energy: -78.964 bonds (distance) P-C4' energy: -105.349 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -41.574 tors. eta vs tors. theta energy: -51.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -780.454927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.454927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.454927 (E_RNA) where: Base-Base interactions energy: -426.292 where: short stacking energy: -237.133 Base-Backbone interact. energy: 3.639 local terms energy: -357.801606 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -102.521 flat angles C4'-P-C4' energy: -100.807 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -10.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -567.400246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.400246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.400246 (E_RNA) where: Base-Base interactions energy: -274.077 where: short stacking energy: -173.014 Base-Backbone interact. energy: 1.081 local terms energy: -294.404223 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -96.531 flat angles C4'-P-C4' energy: -78.098 flat angles P-C4'-P energy: -28.345 tors. eta vs tors. theta energy: 4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2003.912546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.912546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.912546 (E_RNA) where: Base-Base interactions energy: -1375.718 where: short stacking energy: -605.447 Base-Backbone interact. energy: -2.565 local terms energy: -625.629968 where: bonds (distance) C4'-P energy: -114.417 bonds (distance) P-C4' energy: -114.782 flat angles C4'-P-C4' energy: -130.570 flat angles P-C4'-P energy: -87.905 tors. eta vs tors. theta energy: -177.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1941.419140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.419140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.419140 (E_RNA) where: Base-Base interactions energy: -1344.455 where: short stacking energy: -585.630 Base-Backbone interact. energy: 1.463 local terms energy: -598.427417 where: bonds (distance) C4'-P energy: -113.215 bonds (distance) P-C4' energy: -106.528 flat angles C4'-P-C4' energy: -125.681 flat angles P-C4'-P energy: -80.886 tors. eta vs tors. theta energy: -172.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1831.627537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.627537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.627537 (E_RNA) where: Base-Base interactions energy: -1245.831 where: short stacking energy: -544.556 Base-Backbone interact. energy: 1.509 local terms energy: -587.305313 where: bonds (distance) C4'-P energy: -105.507 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -124.780 flat angles P-C4'-P energy: -86.507 tors. eta vs tors. theta energy: -158.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1747.681962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.681962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.681962 (E_RNA) where: Base-Base interactions energy: -1212.007 where: short stacking energy: -497.804 Base-Backbone interact. energy: 3.635 local terms energy: -539.309109 where: bonds (distance) C4'-P energy: -106.348 bonds (distance) P-C4' energy: -103.920 flat angles C4'-P-C4' energy: -107.567 flat angles P-C4'-P energy: -70.481 tors. eta vs tors. theta energy: -150.993 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: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1715.768256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.768256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.768256 (E_RNA) where: Base-Base interactions energy: -1190.688 where: short stacking energy: -514.362 Base-Backbone interact. energy: 3.548 local terms energy: -528.628059 where: bonds (distance) C4'-P energy: -106.896 bonds (distance) P-C4' energy: -94.532 flat angles C4'-P-C4' energy: -118.434 flat angles P-C4'-P energy: -71.131 tors. eta vs tors. theta energy: -137.636 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: 245 Temperature: 1.150000 Total energy: -1254.629773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.629773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.629773 (E_RNA) where: Base-Base interactions energy: -779.990 where: short stacking energy: -344.046 Base-Backbone interact. energy: -2.119 local terms energy: -472.520505 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -107.566 flat angles C4'-P-C4' energy: -108.677 flat angles P-C4'-P energy: -71.231 tors. eta vs tors. theta energy: -68.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1164.332611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.332611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.332611 (E_RNA) where: Base-Base interactions energy: -711.761 where: short stacking energy: -337.835 Base-Backbone interact. energy: -1.473 local terms energy: -451.098364 where: bonds (distance) C4'-P energy: -87.923 bonds (distance) P-C4' energy: -92.057 flat angles C4'-P-C4' energy: -120.749 flat angles P-C4'-P energy: -65.126 tors. eta vs tors. theta energy: -85.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -978.128613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.128613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.128613 (E_RNA) where: Base-Base interactions energy: -587.920 where: short stacking energy: -277.298 Base-Backbone interact. energy: 2.177 local terms energy: -392.385412 where: bonds (distance) C4'-P energy: -97.855 bonds (distance) P-C4' energy: -102.874 flat angles C4'-P-C4' energy: -89.850 flat angles P-C4'-P energy: -70.144 tors. eta vs tors. theta energy: -31.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -835.056407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.056407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.056407 (E_RNA) where: Base-Base interactions energy: -489.126 where: short stacking energy: -263.004 Base-Backbone interact. energy: 3.227 local terms energy: -349.157056 where: bonds (distance) C4'-P energy: -83.433 bonds (distance) P-C4' energy: -97.419 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -42.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -554.652252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.652252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.652252 (E_RNA) where: Base-Base interactions energy: -240.987 where: short stacking energy: -170.328 Base-Backbone interact. energy: -2.341 local terms energy: -311.324315 where: bonds (distance) C4'-P energy: -88.302 bonds (distance) P-C4' energy: -99.347 flat angles C4'-P-C4' energy: -92.473 flat angles P-C4'-P energy: -46.616 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: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1991.693547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.693547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.693547 (E_RNA) where: Base-Base interactions energy: -1371.633 where: short stacking energy: -607.087 Base-Backbone interact. energy: -2.677 local terms energy: -617.383650 where: bonds (distance) C4'-P energy: -118.725 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -134.546 flat angles P-C4'-P energy: -83.763 tors. eta vs tors. theta energy: -177.069 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: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1924.600796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.600796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.600796 (E_RNA) where: Base-Base interactions energy: -1315.456 where: short stacking energy: -587.744 Base-Backbone interact. energy: -1.132 local terms energy: -608.012128 where: bonds (distance) C4'-P energy: -105.970 bonds (distance) P-C4' energy: -121.463 flat angles C4'-P-C4' energy: -122.936 flat angles P-C4'-P energy: -83.891 tors. eta vs tors. theta energy: -173.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1785.500880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.500880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.500880 (E_RNA) where: Base-Base interactions energy: -1193.201 where: short stacking energy: -518.950 Base-Backbone interact. energy: -0.690 local terms energy: -591.609987 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -125.019 flat angles P-C4'-P energy: -87.301 tors. eta vs tors. theta energy: -157.183 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: 246 Temperature: 1.050000 Total energy: -1780.105331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.105331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.105331 (E_RNA) where: Base-Base interactions energy: -1213.872 where: short stacking energy: -552.240 Base-Backbone interact. energy: -3.929 local terms energy: -562.304056 where: bonds (distance) C4'-P energy: -92.573 bonds (distance) P-C4' energy: -107.810 flat angles C4'-P-C4' energy: -113.424 flat angles P-C4'-P energy: -83.632 tors. eta vs tors. theta energy: -164.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1700.293654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.293654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.293654 (E_RNA) where: Base-Base interactions energy: -1170.663 where: short stacking energy: -482.962 Base-Backbone interact. energy: -3.139 local terms energy: -526.491282 where: bonds (distance) C4'-P energy: -102.934 bonds (distance) P-C4' energy: -102.064 flat angles C4'-P-C4' energy: -108.890 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -148.337 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: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1249.791898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.791898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.791898 (E_RNA) where: Base-Base interactions energy: -801.368 where: short stacking energy: -372.969 Base-Backbone interact. energy: -0.774 local terms energy: -447.649654 where: bonds (distance) C4'-P energy: -92.291 bonds (distance) P-C4' energy: -97.000 flat angles C4'-P-C4' energy: -113.891 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -80.202 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: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1150.491586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.491586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.491586 (E_RNA) where: Base-Base interactions energy: -698.056 where: short stacking energy: -332.067 Base-Backbone interact. energy: -1.339 local terms energy: -451.095970 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -106.342 flat angles C4'-P-C4' energy: -100.857 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: -68.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -969.351308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.351308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.351308 (E_RNA) where: Base-Base interactions energy: -580.468 where: short stacking energy: -303.031 Base-Backbone interact. energy: 2.790 local terms energy: -391.672856 where: bonds (distance) C4'-P energy: -105.288 bonds (distance) P-C4' energy: -87.959 flat angles C4'-P-C4' energy: -102.522 flat angles P-C4'-P energy: -49.614 tors. eta vs tors. theta energy: -46.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -824.473397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.473397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.473397 (E_RNA) where: Base-Base interactions energy: -505.457 where: short stacking energy: -232.932 Base-Backbone interact. energy: 0.374 local terms energy: -319.390425 where: bonds (distance) C4'-P energy: -73.602 bonds (distance) P-C4' energy: -85.043 flat angles C4'-P-C4' energy: -89.196 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -13.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -552.788408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.788408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.788408 (E_RNA) where: Base-Base interactions energy: -269.582 where: short stacking energy: -145.378 Base-Backbone interact. energy: 2.439 local terms energy: -285.644876 where: bonds (distance) C4'-P energy: -92.907 bonds (distance) P-C4' energy: -96.112 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -44.297 tors. eta vs tors. theta energy: 12.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1990.404391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.404391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.404391 (E_RNA) where: Base-Base interactions energy: -1359.768 where: short stacking energy: -587.944 Base-Backbone interact. energy: -0.713 local terms energy: -629.923314 where: bonds (distance) C4'-P energy: -117.309 bonds (distance) P-C4' energy: -114.497 flat angles C4'-P-C4' energy: -137.276 flat angles P-C4'-P energy: -77.349 tors. eta vs tors. theta energy: -183.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1921.811958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.811958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.811958 (E_RNA) where: Base-Base interactions energy: -1300.561 where: short stacking energy: -570.426 Base-Backbone interact. energy: -4.242 local terms energy: -617.008893 where: bonds (distance) C4'-P energy: -117.541 bonds (distance) P-C4' energy: -120.794 flat angles C4'-P-C4' energy: -129.018 flat angles P-C4'-P energy: -82.110 tors. eta vs tors. theta energy: -167.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1851.814878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.814878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.814878 (E_RNA) where: Base-Base interactions energy: -1262.530 where: short stacking energy: -550.693 Base-Backbone interact. energy: -1.840 local terms energy: -587.444817 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -108.582 flat angles C4'-P-C4' energy: -109.680 flat angles P-C4'-P energy: -95.615 tors. eta vs tors. theta energy: -155.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1737.220398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.220398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.220398 (E_RNA) where: Base-Base interactions energy: -1160.643 where: short stacking energy: -502.733 Base-Backbone interact. energy: -1.705 local terms energy: -574.873235 where: bonds (distance) C4'-P energy: -109.439 bonds (distance) P-C4' energy: -111.766 flat angles C4'-P-C4' energy: -122.834 flat angles P-C4'-P energy: -88.434 tors. eta vs tors. theta energy: -142.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1723.711307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.711307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.711307 (E_RNA) where: Base-Base interactions energy: -1174.267 where: short stacking energy: -484.296 Base-Backbone interact. energy: -2.181 local terms energy: -547.263388 where: bonds (distance) C4'-P energy: -103.330 bonds (distance) P-C4' energy: -104.092 flat angles C4'-P-C4' energy: -115.241 flat angles P-C4'-P energy: -87.632 tors. eta vs tors. theta energy: -136.968 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: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1223.422378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.422378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.422378 (E_RNA) where: Base-Base interactions energy: -747.516 where: short stacking energy: -353.649 Base-Backbone interact. energy: -1.801 local terms energy: -474.105434 where: bonds (distance) C4'-P energy: -107.146 bonds (distance) P-C4' energy: -106.678 flat angles C4'-P-C4' energy: -122.963 flat angles P-C4'-P energy: -59.474 tors. eta vs tors. theta energy: -77.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1183.858281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.858281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.858281 (E_RNA) where: Base-Base interactions energy: -751.850 where: short stacking energy: -329.656 Base-Backbone interact. energy: 1.024 local terms energy: -433.031946 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -100.510 flat angles C4'-P-C4' energy: -110.209 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -71.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -993.428330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.428330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.428330 (E_RNA) where: Base-Base interactions energy: -620.831 where: short stacking energy: -305.924 Base-Backbone interact. energy: 4.747 local terms energy: -377.343546 where: bonds (distance) C4'-P energy: -81.145 bonds (distance) P-C4' energy: -85.651 flat angles C4'-P-C4' energy: -83.454 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -64.630 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: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -787.881475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.881475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.881475 (E_RNA) where: Base-Base interactions energy: -435.647 where: short stacking energy: -219.474 Base-Backbone interact. energy: 3.410 local terms energy: -355.645133 where: bonds (distance) C4'-P energy: -97.776 bonds (distance) P-C4' energy: -105.445 flat angles C4'-P-C4' energy: -89.723 flat angles P-C4'-P energy: -43.823 tors. eta vs tors. theta energy: -18.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -507.009262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.009262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.009262 (E_RNA) where: Base-Base interactions energy: -214.637 where: short stacking energy: -147.340 Base-Backbone interact. energy: 0.468 local terms energy: -292.840472 where: bonds (distance) C4'-P energy: -90.380 bonds (distance) P-C4' energy: -94.296 flat angles C4'-P-C4' energy: -86.729 flat angles P-C4'-P energy: -45.148 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: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1983.601191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.601191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.601191 (E_RNA) where: Base-Base interactions energy: -1351.594 where: short stacking energy: -610.241 Base-Backbone interact. energy: -2.265 local terms energy: -629.742594 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -114.065 flat angles C4'-P-C4' energy: -128.425 flat angles P-C4'-P energy: -95.792 tors. eta vs tors. theta energy: -181.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1953.993478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.993478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.993478 (E_RNA) where: Base-Base interactions energy: -1336.994 where: short stacking energy: -576.150 Base-Backbone interact. energy: -3.682 local terms energy: -613.316792 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -111.953 flat angles C4'-P-C4' energy: -126.486 flat angles P-C4'-P energy: -90.493 tors. eta vs tors. theta energy: -165.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1802.660616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.660616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.660616 (E_RNA) where: Base-Base interactions energy: -1232.294 where: short stacking energy: -533.058 Base-Backbone interact. energy: -2.716 local terms energy: -567.650519 where: bonds (distance) C4'-P energy: -113.794 bonds (distance) P-C4' energy: -104.400 flat angles C4'-P-C4' energy: -125.555 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -155.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1723.057336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.057336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.057336 (E_RNA) where: Base-Base interactions energy: -1187.258 where: short stacking energy: -501.564 Base-Backbone interact. energy: -2.380 local terms energy: -533.419467 where: bonds (distance) C4'-P energy: -98.706 bonds (distance) P-C4' energy: -91.282 flat angles C4'-P-C4' energy: -111.434 flat angles P-C4'-P energy: -88.330 tors. eta vs tors. theta energy: -143.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1631.811009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.811009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.811009 (E_RNA) where: Base-Base interactions energy: -1111.638 where: short stacking energy: -486.225 Base-Backbone interact. energy: -3.171 local terms energy: -517.002323 where: bonds (distance) C4'-P energy: -102.922 bonds (distance) P-C4' energy: -106.557 flat angles C4'-P-C4' energy: -113.880 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: -137.925 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: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1258.772642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.772642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.772642 (E_RNA) where: Base-Base interactions energy: -798.710 where: short stacking energy: -363.949 Base-Backbone interact. energy: -2.337 local terms energy: -457.726014 where: bonds (distance) C4'-P energy: -94.259 bonds (distance) P-C4' energy: -105.111 flat angles C4'-P-C4' energy: -97.206 flat angles P-C4'-P energy: -77.006 tors. eta vs tors. theta energy: -84.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1248.252084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.252084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.252084 (E_RNA) where: Base-Base interactions energy: -799.218 where: short stacking energy: -404.966 Base-Backbone interact. energy: -2.119 local terms energy: -446.915327 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -84.233 flat angles C4'-P-C4' energy: -102.512 flat angles P-C4'-P energy: -74.828 tors. eta vs tors. theta energy: -96.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1036.724340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.724340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.724340 (E_RNA) where: Base-Base interactions energy: -628.602 where: short stacking energy: -304.873 Base-Backbone interact. energy: -1.299 local terms energy: -406.822508 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -109.939 flat angles C4'-P-C4' energy: -87.144 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -57.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -764.675423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.675423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.675423 (E_RNA) where: Base-Base interactions energy: -415.119 where: short stacking energy: -228.918 Base-Backbone interact. energy: -1.960 local terms energy: -347.596779 where: bonds (distance) C4'-P energy: -93.155 bonds (distance) P-C4' energy: -96.504 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -17.070 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: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -538.732853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.732853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.732853 (E_RNA) where: Base-Base interactions energy: -260.864 where: short stacking energy: -169.817 Base-Backbone interact. energy: -3.140 local terms energy: -274.728707 where: bonds (distance) C4'-P energy: -87.934 bonds (distance) P-C4' energy: -92.172 flat angles C4'-P-C4' energy: -69.531 flat angles P-C4'-P energy: -40.933 tors. eta vs tors. theta energy: 15.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1991.006435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.006435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.006435 (E_RNA) where: Base-Base interactions energy: -1369.264 where: short stacking energy: -610.633 Base-Backbone interact. energy: -1.403 local terms energy: -620.338697 where: bonds (distance) C4'-P energy: -115.516 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -132.211 flat angles P-C4'-P energy: -93.498 tors. eta vs tors. theta energy: -167.677 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: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1946.917892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.917892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.917892 (E_RNA) where: Base-Base interactions energy: -1331.544 where: short stacking energy: -577.981 Base-Backbone interact. energy: -3.409 local terms energy: -611.964352 where: bonds (distance) C4'-P energy: -108.142 bonds (distance) P-C4' energy: -107.620 flat angles C4'-P-C4' energy: -130.197 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -170.998 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: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1790.968960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.968960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.968960 (E_RNA) where: Base-Base interactions energy: -1221.262 where: short stacking energy: -531.393 Base-Backbone interact. energy: -2.590 local terms energy: -567.116447 where: bonds (distance) C4'-P energy: -100.662 bonds (distance) P-C4' energy: -97.632 flat angles C4'-P-C4' energy: -133.972 flat angles P-C4'-P energy: -81.012 tors. eta vs tors. theta energy: -153.839 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: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1723.503340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.503340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.503340 (E_RNA) where: Base-Base interactions energy: -1158.568 where: short stacking energy: -490.575 Base-Backbone interact. energy: 1.101 local terms energy: -566.036539 where: bonds (distance) C4'-P energy: -111.764 bonds (distance) P-C4' energy: -108.786 flat angles C4'-P-C4' energy: -123.924 flat angles P-C4'-P energy: -83.085 tors. eta vs tors. theta energy: -138.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1702.286084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.286084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.286084 (E_RNA) where: Base-Base interactions energy: -1157.543 where: short stacking energy: -493.821 Base-Backbone interact. energy: -2.347 local terms energy: -542.396686 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -113.151 flat angles C4'-P-C4' energy: -113.812 flat angles P-C4'-P energy: -73.434 tors. eta vs tors. theta energy: -140.984 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: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1300.391764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.391764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.391764 (E_RNA) where: Base-Base interactions energy: -826.427 where: short stacking energy: -409.996 Base-Backbone interact. energy: 0.179 local terms energy: -474.144387 where: bonds (distance) C4'-P energy: -97.411 bonds (distance) P-C4' energy: -106.438 flat angles C4'-P-C4' energy: -110.968 flat angles P-C4'-P energy: -63.618 tors. eta vs tors. theta energy: -95.709 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: 249 Temperature: 1.200000 Total energy: -1249.957745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.957745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.957745 (E_RNA) where: Base-Base interactions energy: -799.632 where: short stacking energy: -359.135 Base-Backbone interact. energy: -3.180 local terms energy: -447.145609 where: bonds (distance) C4'-P energy: -91.403 bonds (distance) P-C4' energy: -115.991 flat angles C4'-P-C4' energy: -95.721 flat angles P-C4'-P energy: -70.227 tors. eta vs tors. theta energy: -73.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1023.951530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.951530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.951530 (E_RNA) where: Base-Base interactions energy: -614.271 where: short stacking energy: -291.656 Base-Backbone interact. energy: -0.523 local terms energy: -409.157206 where: bonds (distance) C4'-P energy: -100.708 bonds (distance) P-C4' energy: -93.622 flat angles C4'-P-C4' energy: -100.836 flat angles P-C4'-P energy: -55.092 tors. eta vs tors. theta energy: -58.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -791.234701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.234701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.234701 (E_RNA) where: Base-Base interactions energy: -426.084 where: short stacking energy: -233.200 Base-Backbone interact. energy: -0.393 local terms energy: -364.757310 where: bonds (distance) C4'-P energy: -86.168 bonds (distance) P-C4' energy: -115.672 flat angles C4'-P-C4' energy: -84.649 flat angles P-C4'-P energy: -50.489 tors. eta vs tors. theta energy: -27.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -606.425403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.425403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.425403 (E_RNA) where: Base-Base interactions energy: -309.897 where: short stacking energy: -196.719 Base-Backbone interact. energy: 0.344 local terms energy: -296.872431 where: bonds (distance) C4'-P energy: -76.728 bonds (distance) P-C4' energy: -97.281 flat angles C4'-P-C4' energy: -71.749 flat angles P-C4'-P energy: -52.813 tors. eta vs tors. theta energy: 1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1980.151165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.151165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.151165 (E_RNA) where: Base-Base interactions energy: -1341.053 where: short stacking energy: -590.562 Base-Backbone interact. energy: -3.236 local terms energy: -635.862015 where: bonds (distance) C4'-P energy: -114.035 bonds (distance) P-C4' energy: -120.942 flat angles C4'-P-C4' energy: -139.357 flat angles P-C4'-P energy: -90.392 tors. eta vs tors. theta energy: -171.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1969.973220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.973220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.973220 (E_RNA) where: Base-Base interactions energy: -1325.504 where: short stacking energy: -576.404 Base-Backbone interact. energy: -2.787 local terms energy: -641.682387 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -116.584 flat angles C4'-P-C4' energy: -133.630 flat angles P-C4'-P energy: -93.617 tors. eta vs tors. theta energy: -183.674 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: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1765.552860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.552860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.552860 (E_RNA) where: Base-Base interactions energy: -1179.674 where: short stacking energy: -526.032 Base-Backbone interact. energy: -0.321 local terms energy: -585.557665 where: bonds (distance) C4'-P energy: -108.599 bonds (distance) P-C4' energy: -102.912 flat angles C4'-P-C4' energy: -128.050 flat angles P-C4'-P energy: -95.175 tors. eta vs tors. theta energy: -150.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1685.916670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.916670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.916670 (E_RNA) where: Base-Base interactions energy: -1166.395 where: short stacking energy: -471.299 Base-Backbone interact. energy: -0.102 local terms energy: -519.419439 where: bonds (distance) C4'-P energy: -95.187 bonds (distance) P-C4' energy: -106.706 flat angles C4'-P-C4' energy: -117.607 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -127.492 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: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1689.556657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.556657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.556657 (E_RNA) where: Base-Base interactions energy: -1164.500 where: short stacking energy: -498.944 Base-Backbone interact. energy: -2.795 local terms energy: -522.261136 where: bonds (distance) C4'-P energy: -111.396 bonds (distance) P-C4' energy: -98.899 flat angles C4'-P-C4' energy: -113.351 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -130.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1340.757867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.757867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.757867 (E_RNA) where: Base-Base interactions energy: -850.037 where: short stacking energy: -387.862 Base-Backbone interact. energy: 1.641 local terms energy: -492.361695 where: bonds (distance) C4'-P energy: -108.316 bonds (distance) P-C4' energy: -100.408 flat angles C4'-P-C4' energy: -120.265 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -101.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1202.631501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.631501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.631501 (E_RNA) where: Base-Base interactions energy: -791.126 where: short stacking energy: -353.404 Base-Backbone interact. energy: -1.898 local terms energy: -409.607600 where: bonds (distance) C4'-P energy: -98.468 bonds (distance) P-C4' energy: -96.365 flat angles C4'-P-C4' energy: -92.655 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: -65.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1072.501590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.501590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.501590 (E_RNA) where: Base-Base interactions energy: -665.831 where: short stacking energy: -332.181 Base-Backbone interact. energy: -0.864 local terms energy: -405.806657 where: bonds (distance) C4'-P energy: -87.439 bonds (distance) P-C4' energy: -114.306 flat angles C4'-P-C4' energy: -90.424 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: -67.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -872.217141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.217141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.217141 (E_RNA) where: Base-Base interactions energy: -489.594 where: short stacking energy: -254.874 Base-Backbone interact. energy: 0.443 local terms energy: -383.066147 where: bonds (distance) C4'-P energy: -109.148 bonds (distance) P-C4' energy: -108.238 flat angles C4'-P-C4' energy: -87.597 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -33.974 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: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -610.693096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.693096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.693096 (E_RNA) where: Base-Base interactions energy: -321.312 where: short stacking energy: -194.104 Base-Backbone interact. energy: -0.738 local terms energy: -288.642912 where: bonds (distance) C4'-P energy: -82.879 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -77.127 flat angles P-C4'-P energy: -38.030 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1992.913704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.913704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.913704 (E_RNA) where: Base-Base interactions energy: -1337.897 where: short stacking energy: -600.482 Base-Backbone interact. energy: -1.925 local terms energy: -653.091464 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -119.651 flat angles C4'-P-C4' energy: -133.377 flat angles P-C4'-P energy: -96.275 tors. eta vs tors. theta energy: -188.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1974.723712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.723712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.723712 (E_RNA) where: Base-Base interactions energy: -1326.969 where: short stacking energy: -577.885 Base-Backbone interact. energy: -1.664 local terms energy: -646.090742 where: bonds (distance) C4'-P energy: -121.298 bonds (distance) P-C4' energy: -125.511 flat angles C4'-P-C4' energy: -139.721 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: -168.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1803.841238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.841238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.841238 (E_RNA) where: Base-Base interactions energy: -1226.363 where: short stacking energy: -501.524 Base-Backbone interact. energy: -0.404 local terms energy: -577.073470 where: bonds (distance) C4'-P energy: -115.265 bonds (distance) P-C4' energy: -108.907 flat angles C4'-P-C4' energy: -126.875 flat angles P-C4'-P energy: -83.197 tors. eta vs tors. theta energy: -142.829 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: 251 Temperature: 1.050000 Total energy: -1744.303744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.303744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.303744 (E_RNA) where: Base-Base interactions energy: -1167.637 where: short stacking energy: -500.528 Base-Backbone interact. energy: 1.327 local terms energy: -577.994311 where: bonds (distance) C4'-P energy: -97.373 bonds (distance) P-C4' energy: -118.626 flat angles C4'-P-C4' energy: -131.002 flat angles P-C4'-P energy: -71.314 tors. eta vs tors. theta energy: -159.680 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: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1716.240412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.240412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.240412 (E_RNA) where: Base-Base interactions energy: -1172.608 where: short stacking energy: -495.826 Base-Backbone interact. energy: -1.732 local terms energy: -541.899725 where: bonds (distance) C4'-P energy: -106.450 bonds (distance) P-C4' energy: -105.677 flat angles C4'-P-C4' energy: -125.747 flat angles P-C4'-P energy: -67.237 tors. eta vs tors. theta energy: -136.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1281.480076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.480076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.480076 (E_RNA) where: Base-Base interactions energy: -800.597 where: short stacking energy: -375.656 Base-Backbone interact. energy: -1.257 local terms energy: -479.626275 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -106.308 flat angles C4'-P-C4' energy: -119.258 flat angles P-C4'-P energy: -67.136 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: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1203.286622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.286622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.286622 (E_RNA) where: Base-Base interactions energy: -735.154 where: short stacking energy: -343.694 Base-Backbone interact. energy: 7.657 local terms energy: -475.789701 where: bonds (distance) C4'-P energy: -105.970 bonds (distance) P-C4' energy: -122.717 flat angles C4'-P-C4' energy: -96.994 flat angles P-C4'-P energy: -74.761 tors. eta vs tors. theta energy: -75.348 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: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1054.381077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.381077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.381077 (E_RNA) where: Base-Base interactions energy: -650.915 where: short stacking energy: -300.786 Base-Backbone interact. energy: -3.272 local terms energy: -400.194068 where: bonds (distance) C4'-P energy: -90.503 bonds (distance) P-C4' energy: -108.240 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -46.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -885.614373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.614373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.614373 (E_RNA) where: Base-Base interactions energy: -533.386 where: short stacking energy: -269.671 Base-Backbone interact. energy: 0.739 local terms energy: -352.967885 where: bonds (distance) C4'-P energy: -84.203 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -80.017 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -53.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -562.172190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.172190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.172190 (E_RNA) where: Base-Base interactions energy: -262.244 where: short stacking energy: -152.348 Base-Backbone interact. energy: -1.791 local terms energy: -298.136566 where: bonds (distance) C4'-P energy: -75.758 bonds (distance) P-C4' energy: -101.210 flat angles C4'-P-C4' energy: -82.939 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: 18.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1980.581487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.581487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.581487 (E_RNA) where: Base-Base interactions energy: -1347.366 where: short stacking energy: -602.971 Base-Backbone interact. energy: 2.271 local terms energy: -635.486406 where: bonds (distance) C4'-P energy: -110.340 bonds (distance) P-C4' energy: -118.055 flat angles C4'-P-C4' energy: -132.743 flat angles P-C4'-P energy: -99.734 tors. eta vs tors. theta energy: -174.615 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: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1980.159693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.159693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.159693 (E_RNA) where: Base-Base interactions energy: -1357.885 where: short stacking energy: -612.854 Base-Backbone interact. energy: -3.436 local terms energy: -618.839522 where: bonds (distance) C4'-P energy: -114.385 bonds (distance) P-C4' energy: -117.396 flat angles C4'-P-C4' energy: -130.029 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -178.661 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: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1842.861011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.861011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.861011 (E_RNA) where: Base-Base interactions energy: -1254.631 where: short stacking energy: -545.914 Base-Backbone interact. energy: -2.800 local terms energy: -585.429719 where: bonds (distance) C4'-P energy: -118.287 bonds (distance) P-C4' energy: -100.461 flat angles C4'-P-C4' energy: -126.303 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -164.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1731.849850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.849850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.849850 (E_RNA) where: Base-Base interactions energy: -1194.628 where: short stacking energy: -527.655 Base-Backbone interact. energy: 0.417 local terms energy: -537.639475 where: bonds (distance) C4'-P energy: -99.864 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -125.714 flat angles P-C4'-P energy: -62.672 tors. eta vs tors. theta energy: -151.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1712.476519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.476519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.476519 (E_RNA) where: Base-Base interactions energy: -1156.391 where: short stacking energy: -505.262 Base-Backbone interact. energy: -1.526 local terms energy: -554.559621 where: bonds (distance) C4'-P energy: -115.225 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -107.399 flat angles P-C4'-P energy: -80.123 tors. eta vs tors. theta energy: -142.517 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: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1324.512930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.512930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.512930 (E_RNA) where: Base-Base interactions energy: -861.911 where: short stacking energy: -406.170 Base-Backbone interact. energy: -1.976 local terms energy: -460.625977 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -102.248 flat angles C4'-P-C4' energy: -110.682 flat angles P-C4'-P energy: -59.564 tors. eta vs tors. theta energy: -88.554 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: 252 Temperature: 1.200000 Total energy: -1205.869067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.869067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.869067 (E_RNA) where: Base-Base interactions energy: -763.870 where: short stacking energy: -343.193 Base-Backbone interact. energy: -0.980 local terms energy: -441.018771 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -110.180 flat angles C4'-P-C4' energy: -101.559 flat angles P-C4'-P energy: -52.907 tors. eta vs tors. theta energy: -78.739 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: 252 Temperature: 1.250000 Total energy: -1017.088749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.088749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.088749 (E_RNA) where: Base-Base interactions energy: -620.901 where: short stacking energy: -289.822 Base-Backbone interact. energy: -0.254 local terms energy: -395.932931 where: bonds (distance) C4'-P energy: -88.957 bonds (distance) P-C4' energy: -114.118 flat angles C4'-P-C4' energy: -90.700 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -50.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -852.138929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.138929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.138929 (E_RNA) where: Base-Base interactions energy: -505.896 where: short stacking energy: -243.199 Base-Backbone interact. energy: -0.944 local terms energy: -345.299382 where: bonds (distance) C4'-P energy: -97.404 bonds (distance) P-C4' energy: -86.710 flat angles C4'-P-C4' energy: -88.092 flat angles P-C4'-P energy: -34.265 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: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -567.223637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.223637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.223637 (E_RNA) where: Base-Base interactions energy: -244.673 where: short stacking energy: -162.920 Base-Backbone interact. energy: 6.989 local terms energy: -329.539950 where: bonds (distance) C4'-P energy: -95.810 bonds (distance) P-C4' energy: -100.533 flat angles C4'-P-C4' energy: -81.503 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: 9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1976.034429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.034429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.034429 (E_RNA) where: Base-Base interactions energy: -1355.368 where: short stacking energy: -614.337 Base-Backbone interact. energy: -1.100 local terms energy: -619.566573 where: bonds (distance) C4'-P energy: -115.090 bonds (distance) P-C4' energy: -119.936 flat angles C4'-P-C4' energy: -135.416 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -172.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1936.641187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.641187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.641187 (E_RNA) where: Base-Base interactions energy: -1328.381 where: short stacking energy: -592.936 Base-Backbone interact. energy: -2.390 local terms energy: -605.870160 where: bonds (distance) C4'-P energy: -98.065 bonds (distance) P-C4' energy: -110.722 flat angles C4'-P-C4' energy: -128.169 flat angles P-C4'-P energy: -87.654 tors. eta vs tors. theta energy: -181.260 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: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1810.423491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.423491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.423491 (E_RNA) where: Base-Base interactions energy: -1212.798 where: short stacking energy: -531.321 Base-Backbone interact. energy: -2.693 local terms energy: -594.932421 where: bonds (distance) C4'-P energy: -101.787 bonds (distance) P-C4' energy: -121.855 flat angles C4'-P-C4' energy: -119.440 flat angles P-C4'-P energy: -94.716 tors. eta vs tors. theta energy: -157.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1777.464639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.464639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.464639 (E_RNA) where: Base-Base interactions energy: -1213.252 where: short stacking energy: -518.779 Base-Backbone interact. energy: -2.245 local terms energy: -561.967306 where: bonds (distance) C4'-P energy: -101.269 bonds (distance) P-C4' energy: -105.786 flat angles C4'-P-C4' energy: -127.413 flat angles P-C4'-P energy: -86.260 tors. eta vs tors. theta energy: -141.240 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: 5, replica: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1620.559189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.559189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.559189 (E_RNA) where: Base-Base interactions energy: -1094.749 where: short stacking energy: -482.634 Base-Backbone interact. energy: 2.707 local terms energy: -528.516915 where: bonds (distance) C4'-P energy: -101.502 bonds (distance) P-C4' energy: -106.524 flat angles C4'-P-C4' energy: -117.614 flat angles P-C4'-P energy: -72.666 tors. eta vs tors. theta energy: -130.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1324.839550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.839550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.839550 (E_RNA) where: Base-Base interactions energy: -838.667 where: short stacking energy: -372.880 Base-Backbone interact. energy: -1.392 local terms energy: -484.780822 where: bonds (distance) C4'-P energy: -108.037 bonds (distance) P-C4' energy: -109.554 flat angles C4'-P-C4' energy: -103.411 flat angles P-C4'-P energy: -73.909 tors. eta vs tors. theta energy: -89.870 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: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1178.704602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.704602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.704602 (E_RNA) where: Base-Base interactions energy: -752.944 where: short stacking energy: -352.949 Base-Backbone interact. energy: -2.395 local terms energy: -423.365323 where: bonds (distance) C4'-P energy: -100.972 bonds (distance) P-C4' energy: -100.014 flat angles C4'-P-C4' energy: -109.648 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: -61.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1035.182747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.182747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.182747 (E_RNA) where: Base-Base interactions energy: -616.302 where: short stacking energy: -301.448 Base-Backbone interact. energy: 5.883 local terms energy: -424.764104 where: bonds (distance) C4'-P energy: -95.240 bonds (distance) P-C4' energy: -98.605 flat angles C4'-P-C4' energy: -107.184 flat angles P-C4'-P energy: -70.704 tors. eta vs tors. theta energy: -53.031 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: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -873.958815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.958815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.958815 (E_RNA) where: Base-Base interactions energy: -498.745 where: short stacking energy: -249.708 Base-Backbone interact. energy: -4.476 local terms energy: -370.737442 where: bonds (distance) C4'-P energy: -89.519 bonds (distance) P-C4' energy: -106.098 flat angles C4'-P-C4' energy: -94.960 flat angles P-C4'-P energy: -37.208 tors. eta vs tors. theta energy: -42.952 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: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -549.022314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.022314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.022314 (E_RNA) where: Base-Base interactions energy: -247.737 where: short stacking energy: -141.305 Base-Backbone interact. energy: -1.878 local terms energy: -299.407324 where: bonds (distance) C4'-P energy: -85.646 bonds (distance) P-C4' energy: -101.784 flat angles C4'-P-C4' energy: -84.063 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: 20.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2010.104603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.104603 (E_RNA) where: Base-Base interactions energy: -1383.130 where: short stacking energy: -622.028 Base-Backbone interact. energy: -2.990 local terms energy: -623.984460 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -130.539 flat angles P-C4'-P energy: -79.745 tors. eta vs tors. theta energy: -181.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1951.543327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.543327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.543327 (E_RNA) where: Base-Base interactions energy: -1342.678 where: short stacking energy: -594.572 Base-Backbone interact. energy: -5.427 local terms energy: -603.438741 where: bonds (distance) C4'-P energy: -97.744 bonds (distance) P-C4' energy: -122.686 flat angles C4'-P-C4' energy: -138.568 flat angles P-C4'-P energy: -76.333 tors. eta vs tors. theta energy: -168.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1818.629106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.629106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.629106 (E_RNA) where: Base-Base interactions energy: -1221.741 where: short stacking energy: -542.269 Base-Backbone interact. energy: 1.054 local terms energy: -597.942309 where: bonds (distance) C4'-P energy: -103.340 bonds (distance) P-C4' energy: -117.251 flat angles C4'-P-C4' energy: -133.272 flat angles P-C4'-P energy: -74.624 tors. eta vs tors. theta energy: -169.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1803.332224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.332224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.332224 (E_RNA) where: Base-Base interactions energy: -1204.198 where: short stacking energy: -514.178 Base-Backbone interact. energy: 3.038 local terms energy: -602.172865 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -112.984 flat angles C4'-P-C4' energy: -127.661 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -154.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1640.000875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.000875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.000875 (E_RNA) where: Base-Base interactions energy: -1123.493 where: short stacking energy: -500.377 Base-Backbone interact. energy: 0.544 local terms energy: -517.052211 where: bonds (distance) C4'-P energy: -103.951 bonds (distance) P-C4' energy: -94.159 flat angles C4'-P-C4' energy: -117.929 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -134.337 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: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1296.779659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.779659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.779659 (E_RNA) where: Base-Base interactions energy: -827.047 where: short stacking energy: -388.212 Base-Backbone interact. energy: -1.670 local terms energy: -468.062771 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -124.367 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -90.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1181.069797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.069797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.069797 (E_RNA) where: Base-Base interactions energy: -768.667 where: short stacking energy: -375.964 Base-Backbone interact. energy: 1.660 local terms energy: -414.062943 where: bonds (distance) C4'-P energy: -98.312 bonds (distance) P-C4' energy: -102.340 flat angles C4'-P-C4' energy: -89.469 flat angles P-C4'-P energy: -34.803 tors. eta vs tors. theta energy: -89.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1030.924914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.924914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.924914 (E_RNA) where: Base-Base interactions energy: -640.552 where: short stacking energy: -298.796 Base-Backbone interact. energy: -2.351 local terms energy: -388.022084 where: bonds (distance) C4'-P energy: -77.587 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -105.556 flat angles P-C4'-P energy: -59.293 tors. eta vs tors. theta energy: -50.595 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: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -823.619104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.619104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.619104 (E_RNA) where: Base-Base interactions energy: -484.584 where: short stacking energy: -243.623 Base-Backbone interact. energy: 1.741 local terms energy: -340.776272 where: bonds (distance) C4'-P energy: -69.181 bonds (distance) P-C4' energy: -102.970 flat angles C4'-P-C4' energy: -93.113 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -33.136 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: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -583.156849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.156849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.156849 (E_RNA) where: Base-Base interactions energy: -254.896 where: short stacking energy: -164.550 Base-Backbone interact. energy: 0.243 local terms energy: -328.503570 where: bonds (distance) C4'-P energy: -72.189 bonds (distance) P-C4' energy: -102.593 flat angles C4'-P-C4' energy: -80.488 flat angles P-C4'-P energy: -45.626 tors. eta vs tors. theta energy: -27.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1988.292264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.292264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.292264 (E_RNA) where: Base-Base interactions energy: -1357.442 where: short stacking energy: -591.099 Base-Backbone interact. energy: 0.633 local terms energy: -631.482742 where: bonds (distance) C4'-P energy: -117.902 bonds (distance) P-C4' energy: -108.635 flat angles C4'-P-C4' energy: -143.864 flat angles P-C4'-P energy: -92.079 tors. eta vs tors. theta energy: -169.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1956.549955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.549955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.549955 (E_RNA) where: Base-Base interactions energy: -1354.441 where: short stacking energy: -588.949 Base-Backbone interact. energy: -2.288 local terms energy: -599.821045 where: bonds (distance) C4'-P energy: -103.312 bonds (distance) P-C4' energy: -103.992 flat angles C4'-P-C4' energy: -124.292 flat angles P-C4'-P energy: -91.638 tors. eta vs tors. theta energy: -176.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1797.630409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.630409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.630409 (E_RNA) where: Base-Base interactions energy: -1205.078 where: short stacking energy: -539.482 Base-Backbone interact. energy: -1.220 local terms energy: -591.332451 where: bonds (distance) C4'-P energy: -113.199 bonds (distance) P-C4' energy: -108.640 flat angles C4'-P-C4' energy: -123.619 flat angles P-C4'-P energy: -91.134 tors. eta vs tors. theta energy: -154.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1738.990872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.990872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.990872 (E_RNA) where: Base-Base interactions energy: -1186.425 where: short stacking energy: -482.774 Base-Backbone interact. energy: 1.132 local terms energy: -553.697779 where: bonds (distance) C4'-P energy: -103.679 bonds (distance) P-C4' energy: -102.567 flat angles C4'-P-C4' energy: -108.676 flat angles P-C4'-P energy: -101.740 tors. eta vs tors. theta energy: -137.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1643.412524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.412524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.412524 (E_RNA) where: Base-Base interactions energy: -1113.331 where: short stacking energy: -492.372 Base-Backbone interact. energy: -2.007 local terms energy: -528.073947 where: bonds (distance) C4'-P energy: -83.138 bonds (distance) P-C4' energy: -114.379 flat angles C4'-P-C4' energy: -113.667 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -140.963 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: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1326.375742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.375742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.375742 (E_RNA) where: Base-Base interactions energy: -833.883 where: short stacking energy: -389.729 Base-Backbone interact. energy: 3.716 local terms energy: -496.208557 where: bonds (distance) C4'-P energy: -108.972 bonds (distance) P-C4' energy: -100.879 flat angles C4'-P-C4' energy: -104.384 flat angles P-C4'-P energy: -74.689 tors. eta vs tors. theta energy: -107.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1185.933290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.933290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.933290 (E_RNA) where: Base-Base interactions energy: -748.138 where: short stacking energy: -359.307 Base-Backbone interact. energy: -0.974 local terms energy: -436.820723 where: bonds (distance) C4'-P energy: -103.155 bonds (distance) P-C4' energy: -93.745 flat angles C4'-P-C4' energy: -106.816 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: -83.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1083.707135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.707135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.707135 (E_RNA) where: Base-Base interactions energy: -647.467 where: short stacking energy: -293.741 Base-Backbone interact. energy: -1.734 local terms energy: -434.506270 where: bonds (distance) C4'-P energy: -84.068 bonds (distance) P-C4' energy: -121.852 flat angles C4'-P-C4' energy: -109.121 flat angles P-C4'-P energy: -67.615 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: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -806.439500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.439500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.439500 (E_RNA) where: Base-Base interactions energy: -444.872 where: short stacking energy: -224.079 Base-Backbone interact. energy: -1.131 local terms energy: -360.436646 where: bonds (distance) C4'-P energy: -87.706 bonds (distance) P-C4' energy: -102.698 flat angles C4'-P-C4' energy: -101.809 flat angles P-C4'-P energy: -43.549 tors. eta vs tors. theta energy: -24.674 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: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -591.215347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.215347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.215347 (E_RNA) where: Base-Base interactions energy: -245.316 where: short stacking energy: -152.743 Base-Backbone interact. energy: -2.162 local terms energy: -343.737213 where: bonds (distance) C4'-P energy: -97.605 bonds (distance) P-C4' energy: -94.482 flat angles C4'-P-C4' energy: -101.303 flat angles P-C4'-P energy: -55.156 tors. eta vs tors. theta energy: 4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1956.758130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.758130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.758130 (E_RNA) where: Base-Base interactions energy: -1332.490 where: short stacking energy: -565.826 Base-Backbone interact. energy: -2.473 local terms energy: -621.795640 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -112.722 flat angles C4'-P-C4' energy: -130.082 flat angles P-C4'-P energy: -80.665 tors. eta vs tors. theta energy: -170.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1964.343289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.343289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.343289 (E_RNA) where: Base-Base interactions energy: -1344.736 where: short stacking energy: -583.087 Base-Backbone interact. energy: 0.213 local terms energy: -619.819538 where: bonds (distance) C4'-P energy: -112.579 bonds (distance) P-C4' energy: -113.643 flat angles C4'-P-C4' energy: -135.580 flat angles P-C4'-P energy: -82.610 tors. eta vs tors. theta energy: -175.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1814.587497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.587497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.587497 (E_RNA) where: Base-Base interactions energy: -1233.577 where: short stacking energy: -503.346 Base-Backbone interact. energy: -3.823 local terms energy: -577.187902 where: bonds (distance) C4'-P energy: -96.568 bonds (distance) P-C4' energy: -115.080 flat angles C4'-P-C4' energy: -130.303 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -150.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1748.652226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.652226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.652226 (E_RNA) where: Base-Base interactions energy: -1203.195 where: short stacking energy: -499.519 Base-Backbone interact. energy: -4.296 local terms energy: -541.160761 where: bonds (distance) C4'-P energy: -95.156 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -117.448 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -141.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1653.015794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.015794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.015794 (E_RNA) where: Base-Base interactions energy: -1108.333 where: short stacking energy: -483.346 Base-Backbone interact. energy: -1.065 local terms energy: -543.618109 where: bonds (distance) C4'-P energy: -90.252 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -124.142 flat angles P-C4'-P energy: -67.743 tors. eta vs tors. theta energy: -144.840 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: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1312.661687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.661687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.661687 (E_RNA) where: Base-Base interactions energy: -845.435 where: short stacking energy: -411.665 Base-Backbone interact. energy: -0.214 local terms energy: -467.013288 where: bonds (distance) C4'-P energy: -94.542 bonds (distance) P-C4' energy: -92.285 flat angles C4'-P-C4' energy: -97.360 flat angles P-C4'-P energy: -71.581 tors. eta vs tors. theta energy: -111.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1250.310411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.310411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.310411 (E_RNA) where: Base-Base interactions energy: -784.969 where: short stacking energy: -369.756 Base-Backbone interact. energy: 2.834 local terms energy: -468.174983 where: bonds (distance) C4'-P energy: -100.640 bonds (distance) P-C4' energy: -84.758 flat angles C4'-P-C4' energy: -119.087 flat angles P-C4'-P energy: -72.928 tors. eta vs tors. theta energy: -90.762 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: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1071.771022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.771022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.771022 (E_RNA) where: Base-Base interactions energy: -655.309 where: short stacking energy: -310.318 Base-Backbone interact. energy: -0.415 local terms energy: -416.046619 where: bonds (distance) C4'-P energy: -90.617 bonds (distance) P-C4' energy: -104.078 flat angles C4'-P-C4' energy: -103.345 flat angles P-C4'-P energy: -63.684 tors. eta vs tors. theta energy: -54.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -802.880312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.880312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.880312 (E_RNA) where: Base-Base interactions energy: -431.097 where: short stacking energy: -233.051 Base-Backbone interact. energy: -1.868 local terms energy: -369.915506 where: bonds (distance) C4'-P energy: -110.838 bonds (distance) P-C4' energy: -94.320 flat angles C4'-P-C4' energy: -75.636 flat angles P-C4'-P energy: -63.726 tors. eta vs tors. theta energy: -25.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -585.494037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.494037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.494037 (E_RNA) where: Base-Base interactions energy: -286.837 where: short stacking energy: -162.424 Base-Backbone interact. energy: 1.320 local terms energy: -299.976471 where: bonds (distance) C4'-P energy: -92.767 bonds (distance) P-C4' energy: -100.685 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: 14.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1963.900939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.900939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.900939 (E_RNA) where: Base-Base interactions energy: -1339.209 where: short stacking energy: -577.176 Base-Backbone interact. energy: -1.905 local terms energy: -622.787109 where: bonds (distance) C4'-P energy: -105.465 bonds (distance) P-C4' energy: -111.830 flat angles C4'-P-C4' energy: -136.723 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -179.835 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: 257 Temperature: 0.950000 Total energy: -1956.390333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.390333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.390333 (E_RNA) where: Base-Base interactions energy: -1340.109 where: short stacking energy: -570.442 Base-Backbone interact. energy: -1.815 local terms energy: -614.465845 where: bonds (distance) C4'-P energy: -108.690 bonds (distance) P-C4' energy: -121.515 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -88.626 tors. eta vs tors. theta energy: -167.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1820.029325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.029325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.029325 (E_RNA) where: Base-Base interactions energy: -1256.160 where: short stacking energy: -527.016 Base-Backbone interact. energy: -3.305 local terms energy: -560.564644 where: bonds (distance) C4'-P energy: -110.751 bonds (distance) P-C4' energy: -109.290 flat angles C4'-P-C4' energy: -107.836 flat angles P-C4'-P energy: -82.790 tors. eta vs tors. theta energy: -149.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1729.752472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.752472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.752472 (E_RNA) where: Base-Base interactions energy: -1183.153 where: short stacking energy: -509.150 Base-Backbone interact. energy: 0.640 local terms energy: -547.239639 where: bonds (distance) C4'-P energy: -98.820 bonds (distance) P-C4' energy: -106.086 flat angles C4'-P-C4' energy: -118.606 flat angles P-C4'-P energy: -84.593 tors. eta vs tors. theta energy: -139.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1600.388308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.388308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.388308 (E_RNA) where: Base-Base interactions energy: -1090.762 where: short stacking energy: -445.551 Base-Backbone interact. energy: -0.950 local terms energy: -508.676167 where: bonds (distance) C4'-P energy: -99.803 bonds (distance) P-C4' energy: -113.544 flat angles C4'-P-C4' energy: -106.141 flat angles P-C4'-P energy: -75.374 tors. eta vs tors. theta energy: -113.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1322.088900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.088900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.088900 (E_RNA) where: Base-Base interactions energy: -823.490 where: short stacking energy: -424.229 Base-Backbone interact. energy: 1.787 local terms energy: -500.386083 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -91.292 flat angles C4'-P-C4' energy: -116.667 flat angles P-C4'-P energy: -69.721 tors. eta vs tors. theta energy: -111.436 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: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1311.047324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.047324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.047324 (E_RNA) where: Base-Base interactions energy: -863.301 where: short stacking energy: -395.139 Base-Backbone interact. energy: 6.005 local terms energy: -453.751455 where: bonds (distance) C4'-P energy: -86.615 bonds (distance) P-C4' energy: -104.035 flat angles C4'-P-C4' energy: -114.258 flat angles P-C4'-P energy: -64.389 tors. eta vs tors. theta energy: -84.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1087.091796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.091796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.091796 (E_RNA) where: Base-Base interactions energy: -673.638 where: short stacking energy: -308.932 Base-Backbone interact. energy: -1.348 local terms energy: -412.106277 where: bonds (distance) C4'-P energy: -100.960 bonds (distance) P-C4' energy: -110.079 flat angles C4'-P-C4' energy: -89.734 flat angles P-C4'-P energy: -64.413 tors. eta vs tors. theta energy: -46.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -865.689597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.689597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.689597 (E_RNA) where: Base-Base interactions energy: -489.078 where: short stacking energy: -231.986 Base-Backbone interact. energy: -1.362 local terms energy: -375.249786 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -113.621 flat angles C4'-P-C4' energy: -92.049 flat angles P-C4'-P energy: -41.688 tors. eta vs tors. theta energy: -34.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -588.694592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.694592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.694592 (E_RNA) where: Base-Base interactions energy: -282.970 where: short stacking energy: -190.866 Base-Backbone interact. energy: -2.451 local terms energy: -303.274085 where: bonds (distance) C4'-P energy: -66.918 bonds (distance) P-C4' energy: -95.978 flat angles C4'-P-C4' energy: -99.563 flat angles P-C4'-P energy: -36.835 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1983.021138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.021138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.021138 (E_RNA) where: Base-Base interactions energy: -1355.326 where: short stacking energy: -601.250 Base-Backbone interact. energy: 1.184 local terms energy: -628.878518 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -117.542 flat angles C4'-P-C4' energy: -136.018 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -176.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1922.154436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.154436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.154436 (E_RNA) where: Base-Base interactions energy: -1316.030 where: short stacking energy: -560.415 Base-Backbone interact. energy: -0.899 local terms energy: -605.225160 where: bonds (distance) C4'-P energy: -106.154 bonds (distance) P-C4' energy: -121.714 flat angles C4'-P-C4' energy: -122.101 flat angles P-C4'-P energy: -90.166 tors. eta vs tors. theta energy: -165.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1764.860371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.860371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.860371 (E_RNA) where: Base-Base interactions energy: -1196.765 where: short stacking energy: -501.629 Base-Backbone interact. energy: 0.062 local terms energy: -568.157584 where: bonds (distance) C4'-P energy: -113.921 bonds (distance) P-C4' energy: -104.815 flat angles C4'-P-C4' energy: -125.045 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: -147.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1794.325966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.325966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.325966 (E_RNA) where: Base-Base interactions energy: -1209.486 where: short stacking energy: -538.840 Base-Backbone interact. energy: -3.184 local terms energy: -581.655602 where: bonds (distance) C4'-P energy: -101.280 bonds (distance) P-C4' energy: -112.452 flat angles C4'-P-C4' energy: -137.708 flat angles P-C4'-P energy: -76.513 tors. eta vs tors. theta energy: -153.702 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: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1671.300156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.300156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.300156 (E_RNA) where: Base-Base interactions energy: -1127.762 where: short stacking energy: -480.472 Base-Backbone interact. energy: -5.672 local terms energy: -537.865968 where: bonds (distance) C4'-P energy: -119.189 bonds (distance) P-C4' energy: -92.537 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -71.493 tors. eta vs tors. theta energy: -142.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1362.323854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.323854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.323854 (E_RNA) where: Base-Base interactions energy: -863.438 where: short stacking energy: -414.107 Base-Backbone interact. energy: 1.789 local terms energy: -500.674692 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -108.259 flat angles C4'-P-C4' energy: -107.836 flat angles P-C4'-P energy: -70.016 tors. eta vs tors. theta energy: -110.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1266.751756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.751756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.751756 (E_RNA) where: Base-Base interactions energy: -812.722 where: short stacking energy: -367.154 Base-Backbone interact. energy: 3.630 local terms energy: -457.660197 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -91.629 flat angles C4'-P-C4' energy: -111.541 flat angles P-C4'-P energy: -80.588 tors. eta vs tors. theta energy: -83.213 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: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1062.626140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.626140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.626140 (E_RNA) where: Base-Base interactions energy: -647.481 where: short stacking energy: -297.597 Base-Backbone interact. energy: -2.437 local terms energy: -412.708454 where: bonds (distance) C4'-P energy: -90.668 bonds (distance) P-C4' energy: -106.917 flat angles C4'-P-C4' energy: -91.152 flat angles P-C4'-P energy: -58.378 tors. eta vs tors. theta energy: -65.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -832.276830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.276830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.276830 (E_RNA) where: Base-Base interactions energy: -468.657 where: short stacking energy: -242.052 Base-Backbone interact. energy: -0.566 local terms energy: -363.053262 where: bonds (distance) C4'-P energy: -92.630 bonds (distance) P-C4' energy: -98.607 flat angles C4'-P-C4' energy: -80.743 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: -37.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -590.689544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.689544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.689544 (E_RNA) where: Base-Base interactions energy: -249.685 where: short stacking energy: -153.199 Base-Backbone interact. energy: -3.734 local terms energy: -337.270762 where: bonds (distance) C4'-P energy: -91.233 bonds (distance) P-C4' energy: -105.196 flat angles C4'-P-C4' energy: -93.600 flat angles P-C4'-P energy: -55.209 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: 1, replica: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2031.717390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.717390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.717390 (E_RNA) where: Base-Base interactions energy: -1375.347 where: short stacking energy: -605.185 Base-Backbone interact. energy: -3.173 local terms energy: -653.197630 where: bonds (distance) C4'-P energy: -122.607 bonds (distance) P-C4' energy: -118.646 flat angles C4'-P-C4' energy: -138.279 flat angles P-C4'-P energy: -87.767 tors. eta vs tors. theta energy: -185.900 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: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1925.768576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.768576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.768576 (E_RNA) where: Base-Base interactions energy: -1328.979 where: short stacking energy: -582.400 Base-Backbone interact. energy: -1.214 local terms energy: -595.575657 where: bonds (distance) C4'-P energy: -113.942 bonds (distance) P-C4' energy: -99.435 flat angles C4'-P-C4' energy: -130.312 flat angles P-C4'-P energy: -87.081 tors. eta vs tors. theta energy: -164.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1797.980552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.980552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.980552 (E_RNA) where: Base-Base interactions energy: -1219.284 where: short stacking energy: -517.893 Base-Backbone interact. energy: -1.741 local terms energy: -576.955203 where: bonds (distance) C4'-P energy: -105.673 bonds (distance) P-C4' energy: -114.655 flat angles C4'-P-C4' energy: -122.020 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -150.447 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: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1786.647369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.647369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.647369 (E_RNA) where: Base-Base interactions energy: -1212.204 where: short stacking energy: -519.832 Base-Backbone interact. energy: -1.087 local terms energy: -573.355704 where: bonds (distance) C4'-P energy: -101.650 bonds (distance) P-C4' energy: -98.211 flat angles C4'-P-C4' energy: -127.896 flat angles P-C4'-P energy: -78.139 tors. eta vs tors. theta energy: -167.460 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: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1626.500148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.500148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.500148 (E_RNA) where: Base-Base interactions energy: -1092.342 where: short stacking energy: -455.318 Base-Backbone interact. energy: -0.393 local terms energy: -533.764677 where: bonds (distance) C4'-P energy: -107.526 bonds (distance) P-C4' energy: -105.080 flat angles C4'-P-C4' energy: -115.086 flat angles P-C4'-P energy: -85.742 tors. eta vs tors. theta energy: -120.330 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: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1372.198595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.198595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.198595 (E_RNA) where: Base-Base interactions energy: -871.519 where: short stacking energy: -386.532 Base-Backbone interact. energy: -0.678 local terms energy: -500.001620 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -106.977 flat angles C4'-P-C4' energy: -122.796 flat angles P-C4'-P energy: -65.677 tors. eta vs tors. theta energy: -108.403 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: 259 Temperature: 1.200000 Total energy: -1235.676114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.676114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.676114 (E_RNA) where: Base-Base interactions energy: -816.140 where: short stacking energy: -371.786 Base-Backbone interact. energy: -3.244 local terms energy: -416.291442 where: bonds (distance) C4'-P energy: -93.527 bonds (distance) P-C4' energy: -86.602 flat angles C4'-P-C4' energy: -96.908 flat angles P-C4'-P energy: -62.176 tors. eta vs tors. theta energy: -77.079 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: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -980.099541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.099541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.099541 (E_RNA) where: Base-Base interactions energy: -592.942 where: short stacking energy: -287.606 Base-Backbone interact. energy: 2.223 local terms energy: -389.380552 where: bonds (distance) C4'-P energy: -76.930 bonds (distance) P-C4' energy: -97.557 flat angles C4'-P-C4' energy: -101.232 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -58.731 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: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -880.423146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.423146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.423146 (E_RNA) where: Base-Base interactions energy: -518.389 where: short stacking energy: -260.245 Base-Backbone interact. energy: -1.088 local terms energy: -360.945862 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -87.774 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -60.834 tors. eta vs tors. theta energy: -39.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -578.070110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.070110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.070110 (E_RNA) where: Base-Base interactions energy: -268.700 where: short stacking energy: -163.493 Base-Backbone interact. energy: 3.618 local terms energy: -312.988933 where: bonds (distance) C4'-P energy: -80.848 bonds (distance) P-C4' energy: -101.984 flat angles C4'-P-C4' energy: -90.781 flat angles P-C4'-P energy: -38.991 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2004.375169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.375169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.375169 (E_RNA) where: Base-Base interactions energy: -1350.901 where: short stacking energy: -588.139 Base-Backbone interact. energy: -1.585 local terms energy: -651.888755 where: bonds (distance) C4'-P energy: -128.130 bonds (distance) P-C4' energy: -123.209 flat angles C4'-P-C4' energy: -144.890 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: -178.023 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: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1940.995067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.995067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.995067 (E_RNA) where: Base-Base interactions energy: -1332.350 where: short stacking energy: -555.441 Base-Backbone interact. energy: -1.596 local terms energy: -607.049695 where: bonds (distance) C4'-P energy: -116.171 bonds (distance) P-C4' energy: -112.020 flat angles C4'-P-C4' energy: -132.595 flat angles P-C4'-P energy: -85.853 tors. eta vs tors. theta energy: -160.410 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: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1815.121251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.121251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.121251 (E_RNA) where: Base-Base interactions energy: -1234.707 where: short stacking energy: -547.780 Base-Backbone interact. energy: -2.756 local terms energy: -577.658329 where: bonds (distance) C4'-P energy: -110.714 bonds (distance) P-C4' energy: -115.033 flat angles C4'-P-C4' energy: -122.023 flat angles P-C4'-P energy: -74.855 tors. eta vs tors. theta energy: -155.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1762.044448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.044448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.044448 (E_RNA) where: Base-Base interactions energy: -1187.118 where: short stacking energy: -507.378 Base-Backbone interact. energy: -0.990 local terms energy: -573.936513 where: bonds (distance) C4'-P energy: -105.590 bonds (distance) P-C4' energy: -109.800 flat angles C4'-P-C4' energy: -129.947 flat angles P-C4'-P energy: -75.828 tors. eta vs tors. theta energy: -152.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1668.607046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.607046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.607046 (E_RNA) where: Base-Base interactions energy: -1129.898 where: short stacking energy: -495.777 Base-Backbone interact. energy: -5.460 local terms energy: -533.249322 where: bonds (distance) C4'-P energy: -107.178 bonds (distance) P-C4' energy: -104.184 flat angles C4'-P-C4' energy: -115.906 flat angles P-C4'-P energy: -62.759 tors. eta vs tors. theta energy: -143.222 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: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1334.776094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.776094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.776094 (E_RNA) where: Base-Base interactions energy: -869.372 where: short stacking energy: -419.683 Base-Backbone interact. energy: -1.689 local terms energy: -463.714872 where: bonds (distance) C4'-P energy: -109.277 bonds (distance) P-C4' energy: -76.659 flat angles C4'-P-C4' energy: -119.143 flat angles P-C4'-P energy: -54.945 tors. eta vs tors. theta energy: -103.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1246.384227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.384227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.384227 (E_RNA) where: Base-Base interactions energy: -786.484 where: short stacking energy: -352.888 Base-Backbone interact. energy: -2.551 local terms energy: -457.349793 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -98.535 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -61.913 tors. eta vs tors. theta energy: -90.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -923.550754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.550754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.550754 (E_RNA) where: Base-Base interactions energy: -544.867 where: short stacking energy: -252.936 Base-Backbone interact. energy: 0.523 local terms energy: -379.206878 where: bonds (distance) C4'-P energy: -97.615 bonds (distance) P-C4' energy: -101.297 flat angles C4'-P-C4' energy: -99.167 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: -27.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -872.607896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.607896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.607896 (E_RNA) where: Base-Base interactions energy: -510.246 where: short stacking energy: -281.242 Base-Backbone interact. energy: -2.453 local terms energy: -359.908765 where: bonds (distance) C4'-P energy: -81.960 bonds (distance) P-C4' energy: -86.074 flat angles C4'-P-C4' energy: -96.279 flat angles P-C4'-P energy: -44.705 tors. eta vs tors. theta energy: -50.890 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: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -585.999736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.999736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.999736 (E_RNA) where: Base-Base interactions energy: -265.983 where: short stacking energy: -198.368 Base-Backbone interact. energy: -1.665 local terms energy: -318.351416 where: bonds (distance) C4'-P energy: -97.530 bonds (distance) P-C4' energy: -99.455 flat angles C4'-P-C4' energy: -73.474 flat angles P-C4'-P energy: -40.643 tors. eta vs tors. theta energy: -7.250 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2006.692051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.692051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.692051 (E_RNA) where: Base-Base interactions energy: -1385.837 where: short stacking energy: -618.980 Base-Backbone interact. energy: -3.098 local terms energy: -617.756797 where: bonds (distance) C4'-P energy: -111.616 bonds (distance) P-C4' energy: -115.931 flat angles C4'-P-C4' energy: -133.571 flat angles P-C4'-P energy: -78.736 tors. eta vs tors. theta energy: -177.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1930.697762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.697762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.697762 (E_RNA) where: Base-Base interactions energy: -1311.301 where: short stacking energy: -575.413 Base-Backbone interact. energy: -1.869 local terms energy: -617.528418 where: bonds (distance) C4'-P energy: -118.205 bonds (distance) P-C4' energy: -114.516 flat angles C4'-P-C4' energy: -136.891 flat angles P-C4'-P energy: -82.619 tors. eta vs tors. theta energy: -165.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1798.833143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.833143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.833143 (E_RNA) where: Base-Base interactions energy: -1231.217 where: short stacking energy: -532.257 Base-Backbone interact. energy: 0.387 local terms energy: -568.003283 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -105.514 flat angles C4'-P-C4' energy: -128.311 flat angles P-C4'-P energy: -77.785 tors. eta vs tors. theta energy: -156.858 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: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1677.547662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.547662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.547662 (E_RNA) where: Base-Base interactions energy: -1111.971 where: short stacking energy: -477.673 Base-Backbone interact. energy: -1.388 local terms energy: -564.188952 where: bonds (distance) C4'-P energy: -92.628 bonds (distance) P-C4' energy: -123.052 flat angles C4'-P-C4' energy: -123.591 flat angles P-C4'-P energy: -86.131 tors. eta vs tors. theta energy: -138.787 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: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1672.612515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.612515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.612515 (E_RNA) where: Base-Base interactions energy: -1132.129 where: short stacking energy: -523.877 Base-Backbone interact. energy: 3.414 local terms energy: -543.897218 where: bonds (distance) C4'-P energy: -91.297 bonds (distance) P-C4' energy: -99.658 flat angles C4'-P-C4' energy: -130.397 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -143.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1335.570368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.570368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.570368 (E_RNA) where: Base-Base interactions energy: -886.729 where: short stacking energy: -403.120 Base-Backbone interact. energy: -2.605 local terms energy: -446.236737 where: bonds (distance) C4'-P energy: -93.574 bonds (distance) P-C4' energy: -100.629 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: -90.231 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: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1239.018333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.018333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.018333 (E_RNA) where: Base-Base interactions energy: -802.355 where: short stacking energy: -384.530 Base-Backbone interact. energy: -0.051 local terms energy: -436.612494 where: bonds (distance) C4'-P energy: -86.702 bonds (distance) P-C4' energy: -90.941 flat angles C4'-P-C4' energy: -99.280 flat angles P-C4'-P energy: -68.736 tors. eta vs tors. theta energy: -90.953 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: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -875.604502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.604502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.604502 (E_RNA) where: Base-Base interactions energy: -497.908 where: short stacking energy: -224.329 Base-Backbone interact. energy: -1.275 local terms energy: -376.420976 where: bonds (distance) C4'-P energy: -92.613 bonds (distance) P-C4' energy: -113.959 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -30.972 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: 261 Temperature: 1.300000 Total energy: -845.415497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.415497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.415497 (E_RNA) where: Base-Base interactions energy: -491.654 where: short stacking energy: -243.180 Base-Backbone interact. energy: 3.727 local terms energy: -357.488827 where: bonds (distance) C4'-P energy: -94.501 bonds (distance) P-C4' energy: -105.127 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -28.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -602.965691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.965691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.965691 (E_RNA) where: Base-Base interactions energy: -274.205 where: short stacking energy: -159.003 Base-Backbone interact. energy: 0.002 local terms energy: -328.762326 where: bonds (distance) C4'-P energy: -99.381 bonds (distance) P-C4' energy: -106.998 flat angles C4'-P-C4' energy: -82.719 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: 1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2008.835521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.835521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.835521 (E_RNA) where: Base-Base interactions energy: -1392.003 where: short stacking energy: -612.700 Base-Backbone interact. energy: -3.902 local terms energy: -612.930715 where: bonds (distance) C4'-P energy: -97.720 bonds (distance) P-C4' energy: -120.125 flat angles C4'-P-C4' energy: -129.951 flat angles P-C4'-P energy: -89.188 tors. eta vs tors. theta energy: -175.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1937.526904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.526904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.526904 (E_RNA) where: Base-Base interactions energy: -1345.095 where: short stacking energy: -583.350 Base-Backbone interact. energy: -1.997 local terms energy: -590.434676 where: bonds (distance) C4'-P energy: -115.754 bonds (distance) P-C4' energy: -97.458 flat angles C4'-P-C4' energy: -125.009 flat angles P-C4'-P energy: -83.482 tors. eta vs tors. theta energy: -168.732 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: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1794.699928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.699928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.699928 (E_RNA) where: Base-Base interactions energy: -1229.426 where: short stacking energy: -503.949 Base-Backbone interact. energy: -2.066 local terms energy: -563.208554 where: bonds (distance) C4'-P energy: -111.532 bonds (distance) P-C4' energy: -110.952 flat angles C4'-P-C4' energy: -126.768 flat angles P-C4'-P energy: -74.138 tors. eta vs tors. theta energy: -139.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1670.932621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.932621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.932621 (E_RNA) where: Base-Base interactions energy: -1100.701 where: short stacking energy: -480.573 Base-Backbone interact. energy: -0.365 local terms energy: -569.866476 where: bonds (distance) C4'-P energy: -116.413 bonds (distance) P-C4' energy: -109.306 flat angles C4'-P-C4' energy: -117.499 flat angles P-C4'-P energy: -89.278 tors. eta vs tors. theta energy: -137.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1715.033958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.033958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.033958 (E_RNA) where: Base-Base interactions energy: -1159.001 where: short stacking energy: -522.188 Base-Backbone interact. energy: -1.580 local terms energy: -554.453137 where: bonds (distance) C4'-P energy: -111.324 bonds (distance) P-C4' energy: -95.396 flat angles C4'-P-C4' energy: -114.957 flat angles P-C4'-P energy: -82.065 tors. eta vs tors. theta energy: -150.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1305.711913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.711913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.711913 (E_RNA) where: Base-Base interactions energy: -851.278 where: short stacking energy: -383.311 Base-Backbone interact. energy: -0.203 local terms energy: -454.231447 where: bonds (distance) C4'-P energy: -105.322 bonds (distance) P-C4' energy: -113.971 flat angles C4'-P-C4' energy: -92.653 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -81.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1275.589131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.589131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.589131 (E_RNA) where: Base-Base interactions energy: -829.566 where: short stacking energy: -381.416 Base-Backbone interact. energy: 2.711 local terms energy: -448.734328 where: bonds (distance) C4'-P energy: -87.508 bonds (distance) P-C4' energy: -94.520 flat angles C4'-P-C4' energy: -99.842 flat angles P-C4'-P energy: -69.673 tors. eta vs tors. theta energy: -97.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -856.894095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.894095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.894095 (E_RNA) where: Base-Base interactions energy: -490.518 where: short stacking energy: -284.206 Base-Backbone interact. energy: -1.452 local terms energy: -364.924870 where: bonds (distance) C4'-P energy: -78.597 bonds (distance) P-C4' energy: -89.741 flat angles C4'-P-C4' energy: -105.082 flat angles P-C4'-P energy: -58.170 tors. eta vs tors. theta energy: -33.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -847.608226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.608226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.608226 (E_RNA) where: Base-Base interactions energy: -500.244 where: short stacking energy: -267.198 Base-Backbone interact. energy: -1.680 local terms energy: -345.684732 where: bonds (distance) C4'-P energy: -77.974 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -90.776 flat angles P-C4'-P energy: -45.341 tors. eta vs tors. theta energy: -40.847 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: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -571.763045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.763045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.763045 (E_RNA) where: Base-Base interactions energy: -258.772 where: short stacking energy: -163.916 Base-Backbone interact. energy: 1.677 local terms energy: -314.667814 where: bonds (distance) C4'-P energy: -85.236 bonds (distance) P-C4' energy: -103.242 flat angles C4'-P-C4' energy: -82.308 flat angles P-C4'-P energy: -50.273 tors. eta vs tors. theta energy: 6.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2003.468346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.468346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.468346 (E_RNA) where: Base-Base interactions energy: -1391.588 where: short stacking energy: -602.084 Base-Backbone interact. energy: -1.126 local terms energy: -610.753880 where: bonds (distance) C4'-P energy: -108.082 bonds (distance) P-C4' energy: -114.077 flat angles C4'-P-C4' energy: -129.632 flat angles P-C4'-P energy: -84.953 tors. eta vs tors. theta energy: -174.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1943.722506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.722506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.722506 (E_RNA) where: Base-Base interactions energy: -1342.521 where: short stacking energy: -587.207 Base-Backbone interact. energy: -3.263 local terms energy: -597.938445 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -109.356 flat angles C4'-P-C4' energy: -114.156 flat angles P-C4'-P energy: -80.669 tors. eta vs tors. theta energy: -169.806 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: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1784.423925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.423925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.423925 (E_RNA) where: Base-Base interactions energy: -1197.591 where: short stacking energy: -514.233 Base-Backbone interact. energy: -2.098 local terms energy: -584.734146 where: bonds (distance) C4'-P energy: -118.066 bonds (distance) P-C4' energy: -118.309 flat angles C4'-P-C4' energy: -130.964 flat angles P-C4'-P energy: -74.460 tors. eta vs tors. theta energy: -142.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1735.053806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.053806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.053806 (E_RNA) where: Base-Base interactions energy: -1172.691 where: short stacking energy: -527.741 Base-Backbone interact. energy: 0.062 local terms energy: -562.425296 where: bonds (distance) C4'-P energy: -113.990 bonds (distance) P-C4' energy: -109.292 flat angles C4'-P-C4' energy: -117.471 flat angles P-C4'-P energy: -67.903 tors. eta vs tors. theta energy: -153.769 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1698.543458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.543458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.543458 (E_RNA) where: Base-Base interactions energy: -1147.629 where: short stacking energy: -497.589 Base-Backbone interact. energy: -1.220 local terms energy: -549.694213 where: bonds (distance) C4'-P energy: -87.090 bonds (distance) P-C4' energy: -114.114 flat angles C4'-P-C4' energy: -117.143 flat angles P-C4'-P energy: -76.061 tors. eta vs tors. theta energy: -155.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1290.165120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.165120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.165120 (E_RNA) where: Base-Base interactions energy: -838.490 where: short stacking energy: -379.018 Base-Backbone interact. energy: -1.779 local terms energy: -449.896606 where: bonds (distance) C4'-P energy: -106.286 bonds (distance) P-C4' energy: -91.319 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -64.502 tors. eta vs tors. theta energy: -72.135 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: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1257.696670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.696670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.696670 (E_RNA) where: Base-Base interactions energy: -788.185 where: short stacking energy: -377.386 Base-Backbone interact. energy: -0.526 local terms energy: -468.985736 where: bonds (distance) C4'-P energy: -113.496 bonds (distance) P-C4' energy: -104.839 flat angles C4'-P-C4' energy: -109.275 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -98.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -858.455117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.455117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.455117 (E_RNA) where: Base-Base interactions energy: -473.695 where: short stacking energy: -268.663 Base-Backbone interact. energy: -1.398 local terms energy: -383.361371 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -82.769 flat angles C4'-P-C4' energy: -95.475 flat angles P-C4'-P energy: -60.616 tors. eta vs tors. theta energy: -54.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -839.644251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.644251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.644251 (E_RNA) where: Base-Base interactions energy: -470.224 where: short stacking energy: -230.344 Base-Backbone interact. energy: 2.663 local terms energy: -372.082857 where: bonds (distance) C4'-P energy: -84.999 bonds (distance) P-C4' energy: -111.348 flat angles C4'-P-C4' energy: -86.515 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: -37.321 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: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -573.833687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.833687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.833687 (E_RNA) where: Base-Base interactions energy: -274.580 where: short stacking energy: -163.161 Base-Backbone interact. energy: 3.059 local terms energy: -302.312543 where: bonds (distance) C4'-P energy: -73.353 bonds (distance) P-C4' energy: -102.561 flat angles C4'-P-C4' energy: -78.950 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1995.721808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.721808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.721808 (E_RNA) where: Base-Base interactions energy: -1367.359 where: short stacking energy: -597.484 Base-Backbone interact. energy: -1.975 local terms energy: -626.387496 where: bonds (distance) C4'-P energy: -116.450 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -128.945 flat angles P-C4'-P energy: -95.951 tors. eta vs tors. theta energy: -179.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1932.852958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.852958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.852958 (E_RNA) where: Base-Base interactions energy: -1334.258 where: short stacking energy: -558.553 Base-Backbone interact. energy: -2.108 local terms energy: -596.487254 where: bonds (distance) C4'-P energy: -111.932 bonds (distance) P-C4' energy: -120.839 flat angles C4'-P-C4' energy: -130.336 flat angles P-C4'-P energy: -78.371 tors. eta vs tors. theta energy: -155.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1795.733976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.733976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.733976 (E_RNA) where: Base-Base interactions energy: -1232.408 where: short stacking energy: -531.239 Base-Backbone interact. energy: 1.240 local terms energy: -564.565488 where: bonds (distance) C4'-P energy: -111.072 bonds (distance) P-C4' energy: -106.875 flat angles C4'-P-C4' energy: -134.511 flat angles P-C4'-P energy: -67.295 tors. eta vs tors. theta energy: -144.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1735.977636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.977636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.977636 (E_RNA) where: Base-Base interactions energy: -1177.347 where: short stacking energy: -514.506 Base-Backbone interact. energy: -2.525 local terms energy: -556.105613 where: bonds (distance) C4'-P energy: -95.682 bonds (distance) P-C4' energy: -118.873 flat angles C4'-P-C4' energy: -114.099 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -150.286 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: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1686.012985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.012985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.012985 (E_RNA) where: Base-Base interactions energy: -1128.852 where: short stacking energy: -479.164 Base-Backbone interact. energy: 1.264 local terms energy: -558.424856 where: bonds (distance) C4'-P energy: -97.844 bonds (distance) P-C4' energy: -119.336 flat angles C4'-P-C4' energy: -113.011 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -157.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1280.235086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.235086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.235086 (E_RNA) where: Base-Base interactions energy: -836.000 where: short stacking energy: -348.895 Base-Backbone interact. energy: 2.356 local terms energy: -446.590347 where: bonds (distance) C4'-P energy: -106.208 bonds (distance) P-C4' energy: -108.789 flat angles C4'-P-C4' energy: -90.410 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -60.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1205.476278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.476278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.476278 (E_RNA) where: Base-Base interactions energy: -769.289 where: short stacking energy: -364.414 Base-Backbone interact. energy: -0.004 local terms energy: -436.183838 where: bonds (distance) C4'-P energy: -78.468 bonds (distance) P-C4' energy: -103.872 flat angles C4'-P-C4' energy: -94.141 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -85.883 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: 264 Temperature: 1.250000 Total energy: -896.568813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.568813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.568813 (E_RNA) where: Base-Base interactions energy: -505.001 where: short stacking energy: -255.171 Base-Backbone interact. energy: 1.574 local terms energy: -393.141752 where: bonds (distance) C4'-P energy: -100.261 bonds (distance) P-C4' energy: -111.619 flat angles C4'-P-C4' energy: -91.200 flat angles P-C4'-P energy: -55.069 tors. eta vs tors. theta energy: -34.992 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: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -858.152785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.152785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.152785 (E_RNA) where: Base-Base interactions energy: -486.653 where: short stacking energy: -250.742 Base-Backbone interact. energy: -0.831 local terms energy: -370.668193 where: bonds (distance) C4'-P energy: -98.960 bonds (distance) P-C4' energy: -101.681 flat angles C4'-P-C4' energy: -87.008 flat angles P-C4'-P energy: -56.733 tors. eta vs tors. theta energy: -26.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -588.140208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.140208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.140208 (E_RNA) where: Base-Base interactions energy: -263.329 where: short stacking energy: -148.433 Base-Backbone interact. energy: -3.505 local terms energy: -321.305890 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -78.023 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: -0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2008.561344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.561344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.561344 (E_RNA) where: Base-Base interactions energy: -1370.746 where: short stacking energy: -599.293 Base-Backbone interact. energy: -0.037 local terms energy: -637.778431 where: bonds (distance) C4'-P energy: -111.070 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -141.301 flat angles P-C4'-P energy: -87.187 tors. eta vs tors. theta energy: -178.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1967.381918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.381918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.381918 (E_RNA) where: Base-Base interactions energy: -1352.238 where: short stacking energy: -591.788 Base-Backbone interact. energy: -0.086 local terms energy: -615.058105 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -113.155 flat angles C4'-P-C4' energy: -127.609 flat angles P-C4'-P energy: -83.074 tors. eta vs tors. theta energy: -182.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1815.394100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.394100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.394100 (E_RNA) where: Base-Base interactions energy: -1251.099 where: short stacking energy: -529.748 Base-Backbone interact. energy: 2.675 local terms energy: -566.969807 where: bonds (distance) C4'-P energy: -99.126 bonds (distance) P-C4' energy: -112.390 flat angles C4'-P-C4' energy: -130.147 flat angles P-C4'-P energy: -75.383 tors. eta vs tors. theta energy: -149.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1738.638573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.638573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.638573 (E_RNA) where: Base-Base interactions energy: -1191.656 where: short stacking energy: -544.026 Base-Backbone interact. energy: -4.476 local terms energy: -542.506615 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -112.331 flat angles C4'-P-C4' energy: -103.422 flat angles P-C4'-P energy: -68.681 tors. eta vs tors. theta energy: -163.457 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: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1678.904538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.904538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.904538 (E_RNA) where: Base-Base interactions energy: -1142.339 where: short stacking energy: -487.397 Base-Backbone interact. energy: 3.059 local terms energy: -539.624531 where: bonds (distance) C4'-P energy: -106.708 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -120.324 flat angles P-C4'-P energy: -76.628 tors. eta vs tors. theta energy: -129.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1296.563276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.563276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.563276 (E_RNA) where: Base-Base interactions energy: -825.761 where: short stacking energy: -382.142 Base-Backbone interact. energy: -0.783 local terms energy: -470.019051 where: bonds (distance) C4'-P energy: -114.564 bonds (distance) P-C4' energy: -109.534 flat angles C4'-P-C4' energy: -103.374 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -82.233 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: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1184.407887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.407887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.407887 (E_RNA) where: Base-Base interactions energy: -719.870 where: short stacking energy: -350.351 Base-Backbone interact. energy: 1.487 local terms energy: -466.025265 where: bonds (distance) C4'-P energy: -99.237 bonds (distance) P-C4' energy: -105.168 flat angles C4'-P-C4' energy: -107.541 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -87.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -960.385290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.385290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.385290 (E_RNA) where: Base-Base interactions energy: -587.400 where: short stacking energy: -300.303 Base-Backbone interact. energy: 3.402 local terms energy: -376.386523 where: bonds (distance) C4'-P energy: -96.799 bonds (distance) P-C4' energy: -98.818 flat angles C4'-P-C4' energy: -97.421 flat angles P-C4'-P energy: -36.646 tors. eta vs tors. theta energy: -46.703 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: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -886.466377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.466377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.466377 (E_RNA) where: Base-Base interactions energy: -496.860 where: short stacking energy: -249.084 Base-Backbone interact. energy: -0.175 local terms energy: -389.431775 where: bonds (distance) C4'-P energy: -96.124 bonds (distance) P-C4' energy: -87.321 flat angles C4'-P-C4' energy: -100.972 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -39.584 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: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -547.503440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.503440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.503440 (E_RNA) where: Base-Base interactions energy: -239.508 where: short stacking energy: -152.524 Base-Backbone interact. energy: -2.006 local terms energy: -305.989892 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -102.587 flat angles C4'-P-C4' energy: -68.826 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: 6.893 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: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1991.365164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.365164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.365164 (E_RNA) where: Base-Base interactions energy: -1381.037 where: short stacking energy: -567.343 Base-Backbone interact. energy: -1.250 local terms energy: -609.078042 where: bonds (distance) C4'-P energy: -113.119 bonds (distance) P-C4' energy: -118.683 flat angles C4'-P-C4' energy: -122.045 flat angles P-C4'-P energy: -90.805 tors. eta vs tors. theta energy: -164.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1976.968677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.968677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.968677 (E_RNA) where: Base-Base interactions energy: -1393.007 where: short stacking energy: -631.260 Base-Backbone interact. energy: -1.702 local terms energy: -582.259788 where: bonds (distance) C4'-P energy: -90.313 bonds (distance) P-C4' energy: -103.267 flat angles C4'-P-C4' energy: -123.820 flat angles P-C4'-P energy: -87.507 tors. eta vs tors. theta energy: -177.353 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: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1759.172078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.172078 (E_RNA) where: Base-Base interactions energy: -1184.133 where: short stacking energy: -536.256 Base-Backbone interact. energy: -0.142 local terms energy: -574.897422 where: bonds (distance) C4'-P energy: -103.601 bonds (distance) P-C4' energy: -108.238 flat angles C4'-P-C4' energy: -117.898 flat angles P-C4'-P energy: -87.401 tors. eta vs tors. theta energy: -157.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1766.384930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.384930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.384930 (E_RNA) where: Base-Base interactions energy: -1213.705 where: short stacking energy: -521.097 Base-Backbone interact. energy: -1.350 local terms energy: -551.329087 where: bonds (distance) C4'-P energy: -108.372 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -158.579 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: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1644.788473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.788473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.788473 (E_RNA) where: Base-Base interactions energy: -1112.367 where: short stacking energy: -510.865 Base-Backbone interact. energy: -2.867 local terms energy: -529.554381 where: bonds (distance) C4'-P energy: -107.521 bonds (distance) P-C4' energy: -89.641 flat angles C4'-P-C4' energy: -121.797 flat angles P-C4'-P energy: -63.466 tors. eta vs tors. theta energy: -147.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1317.250268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.250268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.250268 (E_RNA) where: Base-Base interactions energy: -826.953 where: short stacking energy: -395.424 Base-Backbone interact. energy: -0.489 local terms energy: -489.808595 where: bonds (distance) C4'-P energy: -105.632 bonds (distance) P-C4' energy: -115.894 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -72.814 tors. eta vs tors. theta energy: -93.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1154.336915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.336915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.336915 (E_RNA) where: Base-Base interactions energy: -719.868 where: short stacking energy: -337.707 Base-Backbone interact. energy: -1.281 local terms energy: -433.188170 where: bonds (distance) C4'-P energy: -102.381 bonds (distance) P-C4' energy: -98.303 flat angles C4'-P-C4' energy: -95.261 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -71.016 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: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -962.261557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.261557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.261557 (E_RNA) where: Base-Base interactions energy: -584.236 where: short stacking energy: -283.044 Base-Backbone interact. energy: -2.488 local terms energy: -375.537915 where: bonds (distance) C4'-P energy: -76.640 bonds (distance) P-C4' energy: -110.613 flat angles C4'-P-C4' energy: -102.672 flat angles P-C4'-P energy: -50.411 tors. eta vs tors. theta energy: -35.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -863.184972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.184972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.184972 (E_RNA) where: Base-Base interactions energy: -500.462 where: short stacking energy: -258.012 Base-Backbone interact. energy: 1.835 local terms energy: -364.558303 where: bonds (distance) C4'-P energy: -75.047 bonds (distance) P-C4' energy: -117.090 flat angles C4'-P-C4' energy: -88.458 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -34.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -580.197888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.197888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.197888 (E_RNA) where: Base-Base interactions energy: -291.377 where: short stacking energy: -179.242 Base-Backbone interact. energy: 3.476 local terms energy: -292.297022 where: bonds (distance) C4'-P energy: -100.851 bonds (distance) P-C4' energy: -86.227 flat angles C4'-P-C4' energy: -83.539 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: 9.244 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: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1975.092595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.092595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.092595 (E_RNA) where: Base-Base interactions energy: -1331.420 where: short stacking energy: -591.026 Base-Backbone interact. energy: -0.800 local terms energy: -642.872724 where: bonds (distance) C4'-P energy: -120.737 bonds (distance) P-C4' energy: -119.157 flat angles C4'-P-C4' energy: -140.134 flat angles P-C4'-P energy: -97.938 tors. eta vs tors. theta energy: -164.907 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: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1982.085588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.085588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.085588 (E_RNA) where: Base-Base interactions energy: -1360.055 where: short stacking energy: -595.246 Base-Backbone interact. energy: -1.014 local terms energy: -621.016790 where: bonds (distance) C4'-P energy: -112.557 bonds (distance) P-C4' energy: -115.588 flat angles C4'-P-C4' energy: -129.366 flat angles P-C4'-P energy: -82.536 tors. eta vs tors. theta energy: -180.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1778.153012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.153012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.153012 (E_RNA) where: Base-Base interactions energy: -1187.037 where: short stacking energy: -533.011 Base-Backbone interact. energy: -1.293 local terms energy: -589.823123 where: bonds (distance) C4'-P energy: -114.952 bonds (distance) P-C4' energy: -112.522 flat angles C4'-P-C4' energy: -124.243 flat angles P-C4'-P energy: -84.373 tors. eta vs tors. theta energy: -153.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1726.152857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.152857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.152857 (E_RNA) where: Base-Base interactions energy: -1171.123 where: short stacking energy: -505.144 Base-Backbone interact. energy: 0.419 local terms energy: -555.449188 where: bonds (distance) C4'-P energy: -126.967 bonds (distance) P-C4' energy: -105.597 flat angles C4'-P-C4' energy: -117.227 flat angles P-C4'-P energy: -69.912 tors. eta vs tors. theta energy: -135.747 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: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1652.347397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.347397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.347397 (E_RNA) where: Base-Base interactions energy: -1117.229 where: short stacking energy: -478.669 Base-Backbone interact. energy: 0.449 local terms energy: -535.567936 where: bonds (distance) C4'-P energy: -99.872 bonds (distance) P-C4' energy: -96.949 flat angles C4'-P-C4' energy: -127.836 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -143.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1345.068179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.068179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.068179 (E_RNA) where: Base-Base interactions energy: -838.999 where: short stacking energy: -404.904 Base-Backbone interact. energy: 0.645 local terms energy: -506.714433 where: bonds (distance) C4'-P energy: -104.067 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -119.104 flat angles P-C4'-P energy: -69.944 tors. eta vs tors. theta energy: -104.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1173.263947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.263947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.263947 (E_RNA) where: Base-Base interactions energy: -733.653 where: short stacking energy: -358.534 Base-Backbone interact. energy: -0.054 local terms energy: -439.557369 where: bonds (distance) C4'-P energy: -89.810 bonds (distance) P-C4' energy: -96.292 flat angles C4'-P-C4' energy: -104.687 flat angles P-C4'-P energy: -68.476 tors. eta vs tors. theta energy: -80.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -975.011034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.011034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.011034 (E_RNA) where: Base-Base interactions energy: -575.253 where: short stacking energy: -277.203 Base-Backbone interact. energy: -1.436 local terms energy: -398.322335 where: bonds (distance) C4'-P energy: -94.745 bonds (distance) P-C4' energy: -110.378 flat angles C4'-P-C4' energy: -103.036 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: -40.709 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: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -947.564675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.564675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.564675 (E_RNA) where: Base-Base interactions energy: -568.282 where: short stacking energy: -267.892 Base-Backbone interact. energy: -1.649 local terms energy: -377.633015 where: bonds (distance) C4'-P energy: -90.047 bonds (distance) P-C4' energy: -92.637 flat angles C4'-P-C4' energy: -102.232 flat angles P-C4'-P energy: -48.590 tors. eta vs tors. theta energy: -44.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -572.781436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.781436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.781436 (E_RNA) where: Base-Base interactions energy: -259.460 where: short stacking energy: -140.327 Base-Backbone interact. energy: -1.444 local terms energy: -311.877859 where: bonds (distance) C4'-P energy: -90.215 bonds (distance) P-C4' energy: -99.529 flat angles C4'-P-C4' energy: -95.228 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: 19.757 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: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1969.060576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.060576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.060576 (E_RNA) where: Base-Base interactions energy: -1343.129 where: short stacking energy: -585.595 Base-Backbone interact. energy: -3.477 local terms energy: -622.454910 where: bonds (distance) C4'-P energy: -121.006 bonds (distance) P-C4' energy: -124.413 flat angles C4'-P-C4' energy: -126.393 flat angles P-C4'-P energy: -81.843 tors. eta vs tors. theta energy: -168.801 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: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1993.980137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.980137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.980137 (E_RNA) where: Base-Base interactions energy: -1379.419 where: short stacking energy: -586.765 Base-Backbone interact. energy: -1.097 local terms energy: -613.464209 where: bonds (distance) C4'-P energy: -102.483 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -123.351 flat angles P-C4'-P energy: -95.190 tors. eta vs tors. theta energy: -169.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1772.991325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.991325 (E_RNA) where: Base-Base interactions energy: -1210.224 where: short stacking energy: -515.089 Base-Backbone interact. energy: -1.207 local terms energy: -561.560612 where: bonds (distance) C4'-P energy: -98.654 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -126.887 flat angles P-C4'-P energy: -78.995 tors. eta vs tors. theta energy: -150.472 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: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1727.761116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.761116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.761116 (E_RNA) where: Base-Base interactions energy: -1170.250 where: short stacking energy: -494.025 Base-Backbone interact. energy: -1.918 local terms energy: -555.593641 where: bonds (distance) C4'-P energy: -99.357 bonds (distance) P-C4' energy: -116.335 flat angles C4'-P-C4' energy: -123.086 flat angles P-C4'-P energy: -71.774 tors. eta vs tors. theta energy: -145.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1642.813313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.813313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.813313 (E_RNA) where: Base-Base interactions energy: -1120.929 where: short stacking energy: -479.399 Base-Backbone interact. energy: 3.814 local terms energy: -525.699044 where: bonds (distance) C4'-P energy: -98.421 bonds (distance) P-C4' energy: -113.277 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -138.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1306.160881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.160881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.160881 (E_RNA) where: Base-Base interactions energy: -824.881 where: short stacking energy: -351.958 Base-Backbone interact. energy: -1.628 local terms energy: -479.651394 where: bonds (distance) C4'-P energy: -108.669 bonds (distance) P-C4' energy: -104.545 flat angles C4'-P-C4' energy: -94.713 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -93.859 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: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1228.963484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.963484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.963484 (E_RNA) where: Base-Base interactions energy: -762.881 where: short stacking energy: -347.298 Base-Backbone interact. energy: -0.003 local terms energy: -466.079758 where: bonds (distance) C4'-P energy: -96.354 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -124.036 flat angles P-C4'-P energy: -77.751 tors. eta vs tors. theta energy: -72.796 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: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -995.500370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.500370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.500370 (E_RNA) where: Base-Base interactions energy: -595.303 where: short stacking energy: -311.590 Base-Backbone interact. energy: 2.553 local terms energy: -402.749509 where: bonds (distance) C4'-P energy: -91.913 bonds (distance) P-C4' energy: -102.922 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -51.871 tors. eta vs tors. theta energy: -51.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -900.450363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.450363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.450363 (E_RNA) where: Base-Base interactions energy: -542.213 where: short stacking energy: -265.010 Base-Backbone interact. energy: -0.902 local terms energy: -357.335700 where: bonds (distance) C4'-P energy: -93.016 bonds (distance) P-C4' energy: -94.269 flat angles C4'-P-C4' energy: -91.859 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -32.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -565.205747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.205747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.205747 (E_RNA) where: Base-Base interactions energy: -259.136 where: short stacking energy: -178.209 Base-Backbone interact. energy: 4.272 local terms energy: -310.342312 where: bonds (distance) C4'-P energy: -72.135 bonds (distance) P-C4' energy: -91.581 flat angles C4'-P-C4' energy: -89.409 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: 6.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1973.195139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.195139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.195139 (E_RNA) where: Base-Base interactions energy: -1362.916 where: short stacking energy: -593.257 Base-Backbone interact. energy: -0.449 local terms energy: -609.829892 where: bonds (distance) C4'-P energy: -102.102 bonds (distance) P-C4' energy: -118.987 flat angles C4'-P-C4' energy: -133.505 flat angles P-C4'-P energy: -79.618 tors. eta vs tors. theta energy: -175.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1996.004816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.004816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.004816 (E_RNA) where: Base-Base interactions energy: -1371.929 where: short stacking energy: -612.043 Base-Backbone interact. energy: -1.732 local terms energy: -622.343674 where: bonds (distance) C4'-P energy: -116.929 bonds (distance) P-C4' energy: -118.476 flat angles C4'-P-C4' energy: -131.342 flat angles P-C4'-P energy: -83.138 tors. eta vs tors. theta energy: -172.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1825.343519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.343519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.343519 (E_RNA) where: Base-Base interactions energy: -1239.494 where: short stacking energy: -566.534 Base-Backbone interact. energy: -1.213 local terms energy: -584.636137 where: bonds (distance) C4'-P energy: -99.127 bonds (distance) P-C4' energy: -118.561 flat angles C4'-P-C4' energy: -119.529 flat angles P-C4'-P energy: -79.094 tors. eta vs tors. theta energy: -168.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1747.511084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.511084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.511084 (E_RNA) where: Base-Base interactions energy: -1186.888 where: short stacking energy: -500.786 Base-Backbone interact. energy: 0.532 local terms energy: -561.154551 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -114.615 flat angles C4'-P-C4' energy: -123.602 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -155.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1643.415341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.415341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.415341 (E_RNA) where: Base-Base interactions energy: -1136.821 where: short stacking energy: -493.749 Base-Backbone interact. energy: 1.053 local terms energy: -507.647391 where: bonds (distance) C4'-P energy: -85.019 bonds (distance) P-C4' energy: -95.949 flat angles C4'-P-C4' energy: -117.327 flat angles P-C4'-P energy: -75.597 tors. eta vs tors. theta energy: -133.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1367.641410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.641410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.641410 (E_RNA) where: Base-Base interactions energy: -886.791 where: short stacking energy: -396.405 Base-Backbone interact. energy: -0.972 local terms energy: -479.877899 where: bonds (distance) C4'-P energy: -110.575 bonds (distance) P-C4' energy: -104.026 flat angles C4'-P-C4' energy: -117.162 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -83.889 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: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1202.770212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.770212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.770212 (E_RNA) where: Base-Base interactions energy: -770.769 where: short stacking energy: -371.233 Base-Backbone interact. energy: -1.895 local terms energy: -430.106207 where: bonds (distance) C4'-P energy: -96.506 bonds (distance) P-C4' energy: -104.363 flat angles C4'-P-C4' energy: -99.562 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -70.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1042.061033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.061033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.061033 (E_RNA) where: Base-Base interactions energy: -650.596 where: short stacking energy: -296.532 Base-Backbone interact. energy: 1.054 local terms energy: -392.519123 where: bonds (distance) C4'-P energy: -109.340 bonds (distance) P-C4' energy: -93.968 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -51.998 tors. eta vs tors. theta energy: -44.837 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: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -933.070541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.070541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.070541 (E_RNA) where: Base-Base interactions energy: -609.716 where: short stacking energy: -287.129 Base-Backbone interact. energy: 3.679 local terms energy: -327.033724 where: bonds (distance) C4'-P energy: -64.012 bonds (distance) P-C4' energy: -99.655 flat angles C4'-P-C4' energy: -83.139 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -43.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -639.364796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.364796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.364796 (E_RNA) where: Base-Base interactions energy: -319.400 where: short stacking energy: -172.848 Base-Backbone interact. energy: 5.080 local terms energy: -325.044588 where: bonds (distance) C4'-P energy: -94.950 bonds (distance) P-C4' energy: -106.891 flat angles C4'-P-C4' energy: -74.686 flat angles P-C4'-P energy: -51.147 tors. eta vs tors. theta energy: 2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2054.658755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.658755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.658755 (E_RNA) where: Base-Base interactions energy: -1409.385 where: short stacking energy: -611.135 Base-Backbone interact. energy: 3.739 local terms energy: -649.012216 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -138.575 flat angles P-C4'-P energy: -101.473 tors. eta vs tors. theta energy: -180.419 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: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1936.217205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.217205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.217205 (E_RNA) where: Base-Base interactions energy: -1342.156 where: short stacking energy: -563.012 Base-Backbone interact. energy: 0.962 local terms energy: -595.023190 where: bonds (distance) C4'-P energy: -96.713 bonds (distance) P-C4' energy: -115.953 flat angles C4'-P-C4' energy: -136.122 flat angles P-C4'-P energy: -82.173 tors. eta vs tors. theta energy: -164.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1786.516273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.516273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.516273 (E_RNA) where: Base-Base interactions energy: -1199.879 where: short stacking energy: -495.634 Base-Backbone interact. energy: -1.832 local terms energy: -584.805542 where: bonds (distance) C4'-P energy: -118.511 bonds (distance) P-C4' energy: -113.741 flat angles C4'-P-C4' energy: -132.358 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -146.919 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: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1710.174813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.174813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.174813 (E_RNA) where: Base-Base interactions energy: -1154.565 where: short stacking energy: -513.169 Base-Backbone interact. energy: -0.827 local terms energy: -554.782993 where: bonds (distance) C4'-P energy: -101.207 bonds (distance) P-C4' energy: -103.365 flat angles C4'-P-C4' energy: -112.230 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -141.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1634.829373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.829373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.829373 (E_RNA) where: Base-Base interactions energy: -1107.489 where: short stacking energy: -483.708 Base-Backbone interact. energy: -4.500 local terms energy: -522.840897 where: bonds (distance) C4'-P energy: -82.095 bonds (distance) P-C4' energy: -109.443 flat angles C4'-P-C4' energy: -113.997 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -138.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1396.891494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.891494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.891494 (E_RNA) where: Base-Base interactions energy: -897.786 where: short stacking energy: -397.234 Base-Backbone interact. energy: 1.447 local terms energy: -500.552246 where: bonds (distance) C4'-P energy: -113.526 bonds (distance) P-C4' energy: -105.853 flat angles C4'-P-C4' energy: -107.627 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -106.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1162.670872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.670872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.670872 (E_RNA) where: Base-Base interactions energy: -727.849 where: short stacking energy: -364.806 Base-Backbone interact. energy: -1.325 local terms energy: -433.496913 where: bonds (distance) C4'-P energy: -95.969 bonds (distance) P-C4' energy: -100.325 flat angles C4'-P-C4' energy: -102.217 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -85.109 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: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1005.260404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.260404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.260404 (E_RNA) where: Base-Base interactions energy: -612.757 where: short stacking energy: -287.544 Base-Backbone interact. energy: 1.752 local terms energy: -394.255487 where: bonds (distance) C4'-P energy: -84.741 bonds (distance) P-C4' energy: -106.272 flat angles C4'-P-C4' energy: -102.406 flat angles P-C4'-P energy: -56.470 tors. eta vs tors. theta energy: -44.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -892.565233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.565233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.565233 (E_RNA) where: Base-Base interactions energy: -532.542 where: short stacking energy: -260.049 Base-Backbone interact. energy: 2.192 local terms energy: -362.214807 where: bonds (distance) C4'-P energy: -88.645 bonds (distance) P-C4' energy: -89.556 flat angles C4'-P-C4' energy: -85.604 flat angles P-C4'-P energy: -55.802 tors. eta vs tors. theta energy: -42.607 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: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -651.114311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.114311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.114311 (E_RNA) where: Base-Base interactions energy: -338.791 where: short stacking energy: -188.103 Base-Backbone interact. energy: 3.910 local terms energy: -316.233310 where: bonds (distance) C4'-P energy: -92.484 bonds (distance) P-C4' energy: -100.666 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -34.969 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2031.134010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.134010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.134010 (E_RNA) where: Base-Base interactions energy: -1372.561 where: short stacking energy: -604.659 Base-Backbone interact. energy: -2.704 local terms energy: -655.868692 where: bonds (distance) C4'-P energy: -116.437 bonds (distance) P-C4' energy: -120.460 flat angles C4'-P-C4' energy: -133.097 flat angles P-C4'-P energy: -97.840 tors. eta vs tors. theta energy: -188.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1967.410359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.410359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.410359 (E_RNA) where: Base-Base interactions energy: -1351.643 where: short stacking energy: -590.953 Base-Backbone interact. energy: -3.245 local terms energy: -612.522136 where: bonds (distance) C4'-P energy: -111.630 bonds (distance) P-C4' energy: -119.147 flat angles C4'-P-C4' energy: -123.240 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -176.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1807.744405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.744405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.744405 (E_RNA) where: Base-Base interactions energy: -1238.792 where: short stacking energy: -522.420 Base-Backbone interact. energy: -3.034 local terms energy: -565.919007 where: bonds (distance) C4'-P energy: -116.238 bonds (distance) P-C4' energy: -113.418 flat angles C4'-P-C4' energy: -117.755 flat angles P-C4'-P energy: -69.921 tors. eta vs tors. theta energy: -148.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1684.488995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.488995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.488995 (E_RNA) where: Base-Base interactions energy: -1154.005 where: short stacking energy: -498.041 Base-Backbone interact. energy: 3.907 local terms energy: -534.391237 where: bonds (distance) C4'-P energy: -117.982 bonds (distance) P-C4' energy: -110.420 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: -138.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1641.698640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.698640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.698640 (E_RNA) where: Base-Base interactions energy: -1118.345 where: short stacking energy: -481.224 Base-Backbone interact. energy: -3.299 local terms energy: -520.054192 where: bonds (distance) C4'-P energy: -92.565 bonds (distance) P-C4' energy: -97.152 flat angles C4'-P-C4' energy: -118.546 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -141.975 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: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1398.217071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.217071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.217071 (E_RNA) where: Base-Base interactions energy: -906.822 where: short stacking energy: -401.134 Base-Backbone interact. energy: -1.164 local terms energy: -490.231023 where: bonds (distance) C4'-P energy: -103.554 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -106.586 flat angles P-C4'-P energy: -63.812 tors. eta vs tors. theta energy: -107.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1117.102508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.102508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.102508 (E_RNA) where: Base-Base interactions energy: -671.294 where: short stacking energy: -321.602 Base-Backbone interact. energy: -1.416 local terms energy: -444.391530 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -89.441 flat angles C4'-P-C4' energy: -104.434 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -80.805 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: 271 Temperature: 1.250000 Total energy: -1002.871164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.871164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.871164 (E_RNA) where: Base-Base interactions energy: -619.710 where: short stacking energy: -306.045 Base-Backbone interact. energy: -0.183 local terms energy: -382.978738 where: bonds (distance) C4'-P energy: -81.528 bonds (distance) P-C4' energy: -107.660 flat angles C4'-P-C4' energy: -85.912 flat angles P-C4'-P energy: -58.066 tors. eta vs tors. theta energy: -49.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -861.443463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.443463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.443463 (E_RNA) where: Base-Base interactions energy: -488.906 where: short stacking energy: -256.620 Base-Backbone interact. energy: 0.779 local terms energy: -373.316637 where: bonds (distance) C4'-P energy: -91.413 bonds (distance) P-C4' energy: -96.397 flat angles C4'-P-C4' energy: -87.512 flat angles P-C4'-P energy: -52.619 tors. eta vs tors. theta energy: -45.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -624.591663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.591663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.591663 (E_RNA) where: Base-Base interactions energy: -319.284 where: short stacking energy: -172.074 Base-Backbone interact. energy: 1.638 local terms energy: -306.945613 where: bonds (distance) C4'-P energy: -102.999 bonds (distance) P-C4' energy: -90.812 flat angles C4'-P-C4' energy: -83.645 flat angles P-C4'-P energy: -32.961 tors. eta vs tors. theta energy: 3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2049.775152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.775152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.775152 (E_RNA) where: Base-Base interactions energy: -1425.463 where: short stacking energy: -617.675 Base-Backbone interact. energy: 2.645 local terms energy: -626.957125 where: bonds (distance) C4'-P energy: -110.588 bonds (distance) P-C4' energy: -117.304 flat angles C4'-P-C4' energy: -135.784 flat angles P-C4'-P energy: -86.170 tors. eta vs tors. theta energy: -177.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1962.216515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.216515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.216515 (E_RNA) where: Base-Base interactions energy: -1346.244 where: short stacking energy: -582.953 Base-Backbone interact. energy: -1.956 local terms energy: -614.016179 where: bonds (distance) C4'-P energy: -110.027 bonds (distance) P-C4' energy: -113.157 flat angles C4'-P-C4' energy: -127.990 flat angles P-C4'-P energy: -88.319 tors. eta vs tors. theta energy: -174.524 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: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1787.180542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.180542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.180542 (E_RNA) where: Base-Base interactions energy: -1210.182 where: short stacking energy: -530.959 Base-Backbone interact. energy: -4.475 local terms energy: -572.523502 where: bonds (distance) C4'-P energy: -120.580 bonds (distance) P-C4' energy: -108.800 flat angles C4'-P-C4' energy: -122.946 flat angles P-C4'-P energy: -72.366 tors. eta vs tors. theta energy: -147.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1689.532058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.532058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.532058 (E_RNA) where: Base-Base interactions energy: -1135.287 where: short stacking energy: -487.011 Base-Backbone interact. energy: -3.420 local terms energy: -550.825719 where: bonds (distance) C4'-P energy: -113.782 bonds (distance) P-C4' energy: -97.247 flat angles C4'-P-C4' energy: -129.455 flat angles P-C4'-P energy: -76.799 tors. eta vs tors. theta energy: -133.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1639.791581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.791581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.791581 (E_RNA) where: Base-Base interactions energy: -1095.051 where: short stacking energy: -458.845 Base-Backbone interact. energy: 3.731 local terms energy: -548.471740 where: bonds (distance) C4'-P energy: -108.540 bonds (distance) P-C4' energy: -116.252 flat angles C4'-P-C4' energy: -114.797 flat angles P-C4'-P energy: -74.742 tors. eta vs tors. theta energy: -134.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1322.193016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.193016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.193016 (E_RNA) where: Base-Base interactions energy: -845.540 where: short stacking energy: -385.058 Base-Backbone interact. energy: -2.371 local terms energy: -474.282067 where: bonds (distance) C4'-P energy: -109.708 bonds (distance) P-C4' energy: -98.654 flat angles C4'-P-C4' energy: -95.749 flat angles P-C4'-P energy: -72.901 tors. eta vs tors. theta energy: -97.270 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: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1096.607577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.607577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.607577 (E_RNA) where: Base-Base interactions energy: -649.459 where: short stacking energy: -332.957 Base-Backbone interact. energy: 1.785 local terms energy: -448.933850 where: bonds (distance) C4'-P energy: -98.978 bonds (distance) P-C4' energy: -111.584 flat angles C4'-P-C4' energy: -93.985 flat angles P-C4'-P energy: -60.621 tors. eta vs tors. theta energy: -83.767 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: 8 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1084.934636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.934636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.934636 (E_RNA) where: Base-Base interactions energy: -660.110 where: short stacking energy: -335.168 Base-Backbone interact. energy: 4.010 local terms energy: -428.835042 where: bonds (distance) C4'-P energy: -95.927 bonds (distance) P-C4' energy: -108.988 flat angles C4'-P-C4' energy: -108.337 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -63.877 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: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -840.690496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.690496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.690496 (E_RNA) where: Base-Base interactions energy: -472.328 where: short stacking energy: -236.268 Base-Backbone interact. energy: 1.447 local terms energy: -369.809718 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -92.912 flat angles C4'-P-C4' energy: -91.041 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -42.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -584.138366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.138366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.138366 (E_RNA) where: Base-Base interactions energy: -269.714 where: short stacking energy: -185.622 Base-Backbone interact. energy: -0.097 local terms energy: -314.327275 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -84.214 flat angles P-C4'-P energy: -52.368 tors. eta vs tors. theta energy: 5.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2051.799905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.799905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.799905 (E_RNA) where: Base-Base interactions energy: -1412.245 where: short stacking energy: -603.974 Base-Backbone interact. energy: 0.100 local terms energy: -639.655092 where: bonds (distance) C4'-P energy: -112.552 bonds (distance) P-C4' energy: -117.088 flat angles C4'-P-C4' energy: -137.223 flat angles P-C4'-P energy: -91.768 tors. eta vs tors. theta energy: -181.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1948.796395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.796395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.796395 (E_RNA) where: Base-Base interactions energy: -1357.755 where: short stacking energy: -590.242 Base-Backbone interact. energy: -1.418 local terms energy: -589.623454 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -102.903 flat angles C4'-P-C4' energy: -116.155 flat angles P-C4'-P energy: -86.589 tors. eta vs tors. theta energy: -169.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1760.859605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.859605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.859605 (E_RNA) where: Base-Base interactions energy: -1212.680 where: short stacking energy: -532.406 Base-Backbone interact. energy: -1.775 local terms energy: -546.404123 where: bonds (distance) C4'-P energy: -97.910 bonds (distance) P-C4' energy: -106.607 flat angles C4'-P-C4' energy: -123.253 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -150.906 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: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1696.706903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.706903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.706903 (E_RNA) where: Base-Base interactions energy: -1146.261 where: short stacking energy: -495.919 Base-Backbone interact. energy: -0.925 local terms energy: -549.520472 where: bonds (distance) C4'-P energy: -113.932 bonds (distance) P-C4' energy: -92.421 flat angles C4'-P-C4' energy: -119.919 flat angles P-C4'-P energy: -78.183 tors. eta vs tors. theta energy: -145.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1669.673842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.673842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.673842 (E_RNA) where: Base-Base interactions energy: -1135.164 where: short stacking energy: -500.646 Base-Backbone interact. energy: -1.515 local terms energy: -532.995252 where: bonds (distance) C4'-P energy: -87.737 bonds (distance) P-C4' energy: -106.601 flat angles C4'-P-C4' energy: -122.687 flat angles P-C4'-P energy: -80.365 tors. eta vs tors. theta energy: -135.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1385.047535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.047535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.047535 (E_RNA) where: Base-Base interactions energy: -883.396 where: short stacking energy: -392.985 Base-Backbone interact. energy: -2.910 local terms energy: -498.741565 where: bonds (distance) C4'-P energy: -108.317 bonds (distance) P-C4' energy: -109.118 flat angles C4'-P-C4' energy: -98.642 flat angles P-C4'-P energy: -76.663 tors. eta vs tors. theta energy: -106.002 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: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1050.815184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.815184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.815184 (E_RNA) where: Base-Base interactions energy: -620.642 where: short stacking energy: -303.982 Base-Backbone interact. energy: -5.323 local terms energy: -424.849560 where: bonds (distance) C4'-P energy: -98.450 bonds (distance) P-C4' energy: -106.463 flat angles C4'-P-C4' energy: -102.613 flat angles P-C4'-P energy: -51.380 tors. eta vs tors. theta energy: -65.944 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: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1076.872414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.872414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.872414 (E_RNA) where: Base-Base interactions energy: -648.977 where: short stacking energy: -312.358 Base-Backbone interact. energy: -0.843 local terms energy: -427.052428 where: bonds (distance) C4'-P energy: -85.539 bonds (distance) P-C4' energy: -106.546 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -64.081 tors. eta vs tors. theta energy: -64.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -813.568136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.568136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.568136 (E_RNA) where: Base-Base interactions energy: -444.258 where: short stacking energy: -240.207 Base-Backbone interact. energy: 0.483 local terms energy: -369.792315 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -92.093 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: -24.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -576.251700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.251700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.251700 (E_RNA) where: Base-Base interactions energy: -266.246 where: short stacking energy: -166.765 Base-Backbone interact. energy: 1.010 local terms energy: -311.015519 where: bonds (distance) C4'-P energy: -89.453 bonds (distance) P-C4' energy: -103.297 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -41.131 tors. eta vs tors. theta energy: 2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2044.955738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.955738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.955738 (E_RNA) where: Base-Base interactions energy: -1423.838 where: short stacking energy: -628.118 Base-Backbone interact. energy: -1.767 local terms energy: -619.350404 where: bonds (distance) C4'-P energy: -106.900 bonds (distance) P-C4' energy: -120.454 flat angles C4'-P-C4' energy: -129.383 flat angles P-C4'-P energy: -87.799 tors. eta vs tors. theta energy: -174.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1983.161955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.161955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.161955 (E_RNA) where: Base-Base interactions energy: -1375.459 where: short stacking energy: -605.936 Base-Backbone interact. energy: -1.176 local terms energy: -606.527418 where: bonds (distance) C4'-P energy: -104.615 bonds (distance) P-C4' energy: -115.107 flat angles C4'-P-C4' energy: -132.888 flat angles P-C4'-P energy: -68.880 tors. eta vs tors. theta energy: -185.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1727.605030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.605030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.605030 (E_RNA) where: Base-Base interactions energy: -1173.540 where: short stacking energy: -507.755 Base-Backbone interact. energy: -1.886 local terms energy: -552.179785 where: bonds (distance) C4'-P energy: -109.887 bonds (distance) P-C4' energy: -100.010 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -74.697 tors. eta vs tors. theta energy: -147.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1726.077004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.077004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.077004 (E_RNA) where: Base-Base interactions energy: -1164.514 where: short stacking energy: -502.459 Base-Backbone interact. energy: -3.293 local terms energy: -558.269546 where: bonds (distance) C4'-P energy: -97.254 bonds (distance) P-C4' energy: -106.819 flat angles C4'-P-C4' energy: -124.194 flat angles P-C4'-P energy: -85.501 tors. eta vs tors. theta energy: -144.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1669.058573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.058573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.058573 (E_RNA) where: Base-Base interactions energy: -1128.628 where: short stacking energy: -482.079 Base-Backbone interact. energy: -2.578 local terms energy: -537.851762 where: bonds (distance) C4'-P energy: -107.071 bonds (distance) P-C4' energy: -94.839 flat angles C4'-P-C4' energy: -125.916 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -140.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1387.137963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.137963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.137963 (E_RNA) where: Base-Base interactions energy: -904.646 where: short stacking energy: -417.900 Base-Backbone interact. energy: -0.738 local terms energy: -481.753916 where: bonds (distance) C4'-P energy: -91.251 bonds (distance) P-C4' energy: -106.962 flat angles C4'-P-C4' energy: -109.273 flat angles P-C4'-P energy: -74.622 tors. eta vs tors. theta energy: -99.646 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: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1175.992837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.992837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.992837 (E_RNA) where: Base-Base interactions energy: -710.113 where: short stacking energy: -347.830 Base-Backbone interact. energy: -2.552 local terms energy: -463.327829 where: bonds (distance) C4'-P energy: -92.166 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -112.359 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -81.390 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: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -979.040252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.040252 (E_RNA) where: Base-Base interactions energy: -576.864 where: short stacking energy: -264.304 Base-Backbone interact. energy: -1.836 local terms energy: -400.340084 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -101.003 flat angles C4'-P-C4' energy: -101.167 flat angles P-C4'-P energy: -56.796 tors. eta vs tors. theta energy: -38.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -785.944490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.944490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.944490 (E_RNA) where: Base-Base interactions energy: -455.777 where: short stacking energy: -218.786 Base-Backbone interact. energy: 1.688 local terms energy: -331.855874 where: bonds (distance) C4'-P energy: -76.478 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -94.547 flat angles P-C4'-P energy: -48.175 tors. eta vs tors. theta energy: -23.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -534.935875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.935875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.935875 (E_RNA) where: Base-Base interactions energy: -238.619 where: short stacking energy: -162.878 Base-Backbone interact. energy: -1.984 local terms energy: -294.333348 where: bonds (distance) C4'-P energy: -74.123 bonds (distance) P-C4' energy: -91.257 flat angles C4'-P-C4' energy: -82.005 flat angles P-C4'-P energy: -50.523 tors. eta vs tors. theta energy: 3.575 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: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2049.236529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.236529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.236529 (E_RNA) where: Base-Base interactions energy: -1418.786 where: short stacking energy: -618.426 Base-Backbone interact. energy: -1.588 local terms energy: -628.862395 where: bonds (distance) C4'-P energy: -106.013 bonds (distance) P-C4' energy: -117.330 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -85.049 tors. eta vs tors. theta energy: -185.149 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: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1979.907770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.907770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.907770 (E_RNA) where: Base-Base interactions energy: -1359.627 where: short stacking energy: -589.951 Base-Backbone interact. energy: -2.242 local terms energy: -618.038799 where: bonds (distance) C4'-P energy: -94.251 bonds (distance) P-C4' energy: -118.638 flat angles C4'-P-C4' energy: -139.409 flat angles P-C4'-P energy: -82.598 tors. eta vs tors. theta energy: -183.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1748.723661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.723661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.723661 (E_RNA) where: Base-Base interactions energy: -1193.650 where: short stacking energy: -519.517 Base-Backbone interact. energy: -2.153 local terms energy: -552.920574 where: bonds (distance) C4'-P energy: -96.957 bonds (distance) P-C4' energy: -108.261 flat angles C4'-P-C4' energy: -126.939 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -147.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1729.934101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.934101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.934101 (E_RNA) where: Base-Base interactions energy: -1164.082 where: short stacking energy: -506.254 Base-Backbone interact. energy: 1.828 local terms energy: -567.680845 where: bonds (distance) C4'-P energy: -103.654 bonds (distance) P-C4' energy: -124.633 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: -155.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1647.573399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.573399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.573399 (E_RNA) where: Base-Base interactions energy: -1120.731 where: short stacking energy: -498.171 Base-Backbone interact. energy: 1.363 local terms energy: -528.205950 where: bonds (distance) C4'-P energy: -88.716 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -139.138 flat angles P-C4'-P energy: -82.580 tors. eta vs tors. theta energy: -132.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1349.683754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.683754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.683754 (E_RNA) where: Base-Base interactions energy: -884.457 where: short stacking energy: -386.523 Base-Backbone interact. energy: -0.962 local terms energy: -464.264636 where: bonds (distance) C4'-P energy: -96.540 bonds (distance) P-C4' energy: -98.895 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -92.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1151.686810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.686810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.686810 (E_RNA) where: Base-Base interactions energy: -702.061 where: short stacking energy: -332.734 Base-Backbone interact. energy: -2.208 local terms energy: -447.417326 where: bonds (distance) C4'-P energy: -105.894 bonds (distance) P-C4' energy: -105.063 flat angles C4'-P-C4' energy: -102.357 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: -67.749 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: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1017.787399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.787399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.787399 (E_RNA) where: Base-Base interactions energy: -631.607 where: short stacking energy: -298.470 Base-Backbone interact. energy: 2.966 local terms energy: -389.146245 where: bonds (distance) C4'-P energy: -92.646 bonds (distance) P-C4' energy: -88.052 flat angles C4'-P-C4' energy: -97.507 flat angles P-C4'-P energy: -54.806 tors. eta vs tors. theta energy: -56.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -777.372899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.372899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.372899 (E_RNA) where: Base-Base interactions energy: -402.815 where: short stacking energy: -242.438 Base-Backbone interact. energy: 4.870 local terms energy: -379.427365 where: bonds (distance) C4'-P energy: -94.354 bonds (distance) P-C4' energy: -99.902 flat angles C4'-P-C4' energy: -77.612 flat angles P-C4'-P energy: -59.542 tors. eta vs tors. theta energy: -48.017 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: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -558.227034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.227034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.227034 (E_RNA) where: Base-Base interactions energy: -265.405 where: short stacking energy: -170.169 Base-Backbone interact. energy: -3.577 local terms energy: -289.244639 where: bonds (distance) C4'-P energy: -88.914 bonds (distance) P-C4' energy: -82.756 flat angles C4'-P-C4' energy: -77.821 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: 0.184 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: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2030.134652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.134652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.134652 (E_RNA) where: Base-Base interactions energy: -1394.828 where: short stacking energy: -604.302 Base-Backbone interact. energy: -1.459 local terms energy: -633.846933 where: bonds (distance) C4'-P energy: -116.041 bonds (distance) P-C4' energy: -121.927 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -88.932 tors. eta vs tors. theta energy: -175.159 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: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1928.322920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.322920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.322920 (E_RNA) where: Base-Base interactions energy: -1320.127 where: short stacking energy: -575.923 Base-Backbone interact. energy: 5.291 local terms energy: -613.487168 where: bonds (distance) C4'-P energy: -120.310 bonds (distance) P-C4' energy: -113.487 flat angles C4'-P-C4' energy: -117.298 flat angles P-C4'-P energy: -92.919 tors. eta vs tors. theta energy: -169.473 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: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1856.290169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.290169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.290169 (E_RNA) where: Base-Base interactions energy: -1252.399 where: short stacking energy: -549.473 Base-Backbone interact. energy: -5.317 local terms energy: -598.575004 where: bonds (distance) C4'-P energy: -116.440 bonds (distance) P-C4' energy: -95.454 flat angles C4'-P-C4' energy: -140.917 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -163.978 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: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1700.430854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.430854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.430854 (E_RNA) where: Base-Base interactions energy: -1121.611 where: short stacking energy: -510.493 Base-Backbone interact. energy: -3.655 local terms energy: -575.164750 where: bonds (distance) C4'-P energy: -120.540 bonds (distance) P-C4' energy: -102.854 flat angles C4'-P-C4' energy: -128.835 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -147.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1696.474122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.474122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.474122 (E_RNA) where: Base-Base interactions energy: -1127.903 where: short stacking energy: -509.574 Base-Backbone interact. energy: -1.768 local terms energy: -566.803270 where: bonds (distance) C4'-P energy: -104.863 bonds (distance) P-C4' energy: -109.725 flat angles C4'-P-C4' energy: -114.494 flat angles P-C4'-P energy: -84.294 tors. eta vs tors. theta energy: -153.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1375.747326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.747326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.747326 (E_RNA) where: Base-Base interactions energy: -896.736 where: short stacking energy: -404.751 Base-Backbone interact. energy: -3.437 local terms energy: -475.574777 where: bonds (distance) C4'-P energy: -84.821 bonds (distance) P-C4' energy: -110.569 flat angles C4'-P-C4' energy: -109.508 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -96.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1178.122913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.122913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.122913 (E_RNA) where: Base-Base interactions energy: -750.514 where: short stacking energy: -348.322 Base-Backbone interact. energy: -0.451 local terms energy: -427.157815 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -95.592 flat angles C4'-P-C4' energy: -93.780 flat angles P-C4'-P energy: -63.224 tors. eta vs tors. theta energy: -74.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -923.131290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.131290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.131290 (E_RNA) where: Base-Base interactions energy: -542.303 where: short stacking energy: -257.310 Base-Backbone interact. energy: -0.822 local terms energy: -380.006382 where: bonds (distance) C4'-P energy: -100.926 bonds (distance) P-C4' energy: -103.219 flat angles C4'-P-C4' energy: -88.958 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -32.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -791.278140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.278140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.278140 (E_RNA) where: Base-Base interactions energy: -426.742 where: short stacking energy: -243.791 Base-Backbone interact. energy: 2.385 local terms energy: -366.921050 where: bonds (distance) C4'-P energy: -88.467 bonds (distance) P-C4' energy: -101.198 flat angles C4'-P-C4' energy: -86.477 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -38.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -591.843584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.843584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.843584 (E_RNA) where: Base-Base interactions energy: -246.556 where: short stacking energy: -158.518 Base-Backbone interact. energy: -1.145 local terms energy: -344.142740 where: bonds (distance) C4'-P energy: -88.327 bonds (distance) P-C4' energy: -105.832 flat angles C4'-P-C4' energy: -93.836 flat angles P-C4'-P energy: -54.257 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2025.473874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.473874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.473874 (E_RNA) where: Base-Base interactions energy: -1388.245 where: short stacking energy: -596.684 Base-Backbone interact. energy: -3.132 local terms energy: -634.096020 where: bonds (distance) C4'-P energy: -114.071 bonds (distance) P-C4' energy: -122.002 flat angles C4'-P-C4' energy: -125.426 flat angles P-C4'-P energy: -95.404 tors. eta vs tors. theta energy: -177.193 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: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1910.736183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.736183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.736183 (E_RNA) where: Base-Base interactions energy: -1310.511 where: short stacking energy: -591.268 Base-Backbone interact. energy: -1.539 local terms energy: -598.686285 where: bonds (distance) C4'-P energy: -97.323 bonds (distance) P-C4' energy: -110.355 flat angles C4'-P-C4' energy: -127.606 flat angles P-C4'-P energy: -89.499 tors. eta vs tors. theta energy: -173.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1792.138523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.138523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.138523 (E_RNA) where: Base-Base interactions energy: -1209.964 where: short stacking energy: -515.621 Base-Backbone interact. energy: 0.795 local terms energy: -582.969285 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -113.175 flat angles C4'-P-C4' energy: -117.575 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -157.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1686.708338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.708338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.708338 (E_RNA) where: Base-Base interactions energy: -1132.919 where: short stacking energy: -486.578 Base-Backbone interact. energy: -0.058 local terms energy: -553.731266 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -119.399 flat angles C4'-P-C4' energy: -129.847 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: -137.239 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: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1659.213749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.213749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.213749 (E_RNA) where: Base-Base interactions energy: -1123.771 where: short stacking energy: -494.418 Base-Backbone interact. energy: -3.085 local terms energy: -532.358286 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -114.198 flat angles C4'-P-C4' energy: -114.787 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -137.771 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: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1356.047187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.047187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.047187 (E_RNA) where: Base-Base interactions energy: -886.645 where: short stacking energy: -413.051 Base-Backbone interact. energy: 1.011 local terms energy: -470.412599 where: bonds (distance) C4'-P energy: -103.347 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -103.058 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -98.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1137.509852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.509852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.509852 (E_RNA) where: Base-Base interactions energy: -720.470 where: short stacking energy: -342.312 Base-Backbone interact. energy: -4.121 local terms energy: -412.918879 where: bonds (distance) C4'-P energy: -79.729 bonds (distance) P-C4' energy: -103.048 flat angles C4'-P-C4' energy: -97.821 flat angles P-C4'-P energy: -68.212 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: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -934.890035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.890035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.890035 (E_RNA) where: Base-Base interactions energy: -540.485 where: short stacking energy: -274.449 Base-Backbone interact. energy: -0.661 local terms energy: -393.743496 where: bonds (distance) C4'-P energy: -95.424 bonds (distance) P-C4' energy: -103.220 flat angles C4'-P-C4' energy: -95.999 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -31.840 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: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -823.223082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.223082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.223082 (E_RNA) where: Base-Base interactions energy: -490.669 where: short stacking energy: -259.833 Base-Backbone interact. energy: -1.095 local terms energy: -331.459106 where: bonds (distance) C4'-P energy: -86.850 bonds (distance) P-C4' energy: -80.109 flat angles C4'-P-C4' energy: -88.136 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -27.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -631.220384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.220384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.220384 (E_RNA) where: Base-Base interactions energy: -319.525 where: short stacking energy: -178.201 Base-Backbone interact. energy: 2.835 local terms energy: -314.530428 where: bonds (distance) C4'-P energy: -92.453 bonds (distance) P-C4' energy: -106.156 flat angles C4'-P-C4' energy: -58.221 flat angles P-C4'-P energy: -58.296 tors. eta vs tors. theta energy: 0.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2060.098798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.098798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.098798 (E_RNA) where: Base-Base interactions energy: -1406.249 where: short stacking energy: -620.040 Base-Backbone interact. energy: 0.861 local terms energy: -654.710750 where: bonds (distance) C4'-P energy: -127.882 bonds (distance) P-C4' energy: -114.383 flat angles C4'-P-C4' energy: -137.454 flat angles P-C4'-P energy: -88.703 tors. eta vs tors. theta energy: -186.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1929.053752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.053752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.053752 (E_RNA) where: Base-Base interactions energy: -1321.759 where: short stacking energy: -560.347 Base-Backbone interact. energy: -0.316 local terms energy: -606.978975 where: bonds (distance) C4'-P energy: -102.856 bonds (distance) P-C4' energy: -113.972 flat angles C4'-P-C4' energy: -136.705 flat angles P-C4'-P energy: -84.770 tors. eta vs tors. theta energy: -168.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1800.416600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.416600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.416600 (E_RNA) where: Base-Base interactions energy: -1216.795 where: short stacking energy: -504.809 Base-Backbone interact. energy: -1.290 local terms energy: -582.331819 where: bonds (distance) C4'-P energy: -105.463 bonds (distance) P-C4' energy: -113.772 flat angles C4'-P-C4' energy: -133.889 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -146.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1671.582917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.582917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.582917 (E_RNA) where: Base-Base interactions energy: -1152.776 where: short stacking energy: -496.675 Base-Backbone interact. energy: -1.303 local terms energy: -517.504345 where: bonds (distance) C4'-P energy: -102.623 bonds (distance) P-C4' energy: -82.797 flat angles C4'-P-C4' energy: -121.382 flat angles P-C4'-P energy: -78.037 tors. eta vs tors. theta energy: -132.665 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: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1679.025745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.025745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.025745 (E_RNA) where: Base-Base interactions energy: -1163.253 where: short stacking energy: -501.497 Base-Backbone interact. energy: -0.958 local terms energy: -514.815338 where: bonds (distance) C4'-P energy: -97.304 bonds (distance) P-C4' energy: -85.804 flat angles C4'-P-C4' energy: -119.130 flat angles P-C4'-P energy: -78.098 tors. eta vs tors. theta energy: -134.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1405.033794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.033794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.033794 (E_RNA) where: Base-Base interactions energy: -927.200 where: short stacking energy: -403.175 Base-Backbone interact. energy: 0.299 local terms energy: -478.132858 where: bonds (distance) C4'-P energy: -98.620 bonds (distance) P-C4' energy: -95.737 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -64.459 tors. eta vs tors. theta energy: -100.471 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: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1110.431462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.431462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.431462 (E_RNA) where: Base-Base interactions energy: -694.803 where: short stacking energy: -306.483 Base-Backbone interact. energy: -1.078 local terms energy: -414.549757 where: bonds (distance) C4'-P energy: -102.399 bonds (distance) P-C4' energy: -113.994 flat angles C4'-P-C4' energy: -95.472 flat angles P-C4'-P energy: -38.820 tors. eta vs tors. theta energy: -63.865 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: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -984.612177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.612177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.612177 (E_RNA) where: Base-Base interactions energy: -600.306 where: short stacking energy: -311.103 Base-Backbone interact. energy: -2.895 local terms energy: -381.411307 where: bonds (distance) C4'-P energy: -82.854 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -82.724 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -52.586 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: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -767.519530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.519530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.519530 (E_RNA) where: Base-Base interactions energy: -409.511 where: short stacking energy: -240.877 Base-Backbone interact. energy: -1.263 local terms energy: -356.745086 where: bonds (distance) C4'-P energy: -89.237 bonds (distance) P-C4' energy: -97.849 flat angles C4'-P-C4' energy: -97.412 flat angles P-C4'-P energy: -50.258 tors. eta vs tors. theta energy: -21.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -638.794897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.794897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.794897 (E_RNA) where: Base-Base interactions energy: -319.989 where: short stacking energy: -170.748 Base-Backbone interact. energy: -0.912 local terms energy: -317.894356 where: bonds (distance) C4'-P energy: -100.925 bonds (distance) P-C4' energy: -101.200 flat angles C4'-P-C4' energy: -70.488 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2050.760986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.760986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.760986 (E_RNA) where: Base-Base interactions energy: -1411.135 where: short stacking energy: -609.437 Base-Backbone interact. energy: -2.868 local terms energy: -636.758098 where: bonds (distance) C4'-P energy: -114.523 bonds (distance) P-C4' energy: -118.877 flat angles C4'-P-C4' energy: -135.679 flat angles P-C4'-P energy: -87.863 tors. eta vs tors. theta energy: -179.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1925.482625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.482625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.482625 (E_RNA) where: Base-Base interactions energy: -1311.069 where: short stacking energy: -578.879 Base-Backbone interact. energy: -2.861 local terms energy: -611.552580 where: bonds (distance) C4'-P energy: -121.379 bonds (distance) P-C4' energy: -115.963 flat angles C4'-P-C4' energy: -126.257 flat angles P-C4'-P energy: -86.624 tors. eta vs tors. theta energy: -161.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1818.024858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.024858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.024858 (E_RNA) where: Base-Base interactions energy: -1264.766 where: short stacking energy: -555.145 Base-Backbone interact. energy: 5.141 local terms energy: -558.400472 where: bonds (distance) C4'-P energy: -103.518 bonds (distance) P-C4' energy: -99.576 flat angles C4'-P-C4' energy: -111.604 flat angles P-C4'-P energy: -91.304 tors. eta vs tors. theta energy: -152.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1723.216145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.216145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.216145 (E_RNA) where: Base-Base interactions energy: -1191.604 where: short stacking energy: -500.175 Base-Backbone interact. energy: -2.619 local terms energy: -528.993295 where: bonds (distance) C4'-P energy: -109.960 bonds (distance) P-C4' energy: -93.898 flat angles C4'-P-C4' energy: -105.606 flat angles P-C4'-P energy: -78.020 tors. eta vs tors. theta energy: -141.508 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: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1669.392357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.392357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.392357 (E_RNA) where: Base-Base interactions energy: -1137.079 where: short stacking energy: -471.402 Base-Backbone interact. energy: -1.422 local terms energy: -530.891423 where: bonds (distance) C4'-P energy: -98.096 bonds (distance) P-C4' energy: -100.426 flat angles C4'-P-C4' energy: -119.642 flat angles P-C4'-P energy: -78.293 tors. eta vs tors. theta energy: -134.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1412.207911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.207911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.207911 (E_RNA) where: Base-Base interactions energy: -932.086 where: short stacking energy: -423.486 Base-Backbone interact. energy: 0.559 local terms energy: -480.681752 where: bonds (distance) C4'-P energy: -101.384 bonds (distance) P-C4' energy: -100.123 flat angles C4'-P-C4' energy: -105.678 flat angles P-C4'-P energy: -63.472 tors. eta vs tors. theta energy: -110.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1150.178901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.178901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.178901 (E_RNA) where: Base-Base interactions energy: -731.914 where: short stacking energy: -330.936 Base-Backbone interact. energy: 0.802 local terms energy: -419.066846 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -84.595 flat angles C4'-P-C4' energy: -108.374 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -50.260 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: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -991.897222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.897222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.897222 (E_RNA) where: Base-Base interactions energy: -599.210 where: short stacking energy: -296.943 Base-Backbone interact. energy: 0.902 local terms energy: -393.589592 where: bonds (distance) C4'-P energy: -84.678 bonds (distance) P-C4' energy: -90.399 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -67.834 tors. eta vs tors. theta energy: -51.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -718.578995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.578995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.578995 (E_RNA) where: Base-Base interactions energy: -389.423 where: short stacking energy: -209.619 Base-Backbone interact. energy: -4.395 local terms energy: -324.760377 where: bonds (distance) C4'-P energy: -86.231 bonds (distance) P-C4' energy: -89.622 flat angles C4'-P-C4' energy: -86.826 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -11.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -625.781680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.781680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.781680 (E_RNA) where: Base-Base interactions energy: -279.775 where: short stacking energy: -160.019 Base-Backbone interact. energy: 0.391 local terms energy: -346.398021 where: bonds (distance) C4'-P energy: -94.814 bonds (distance) P-C4' energy: -108.098 flat angles C4'-P-C4' energy: -82.272 flat angles P-C4'-P energy: -45.513 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: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2045.094185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.094185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.094185 (E_RNA) where: Base-Base interactions energy: -1392.376 where: short stacking energy: -588.887 Base-Backbone interact. energy: -1.013 local terms energy: -651.704711 where: bonds (distance) C4'-P energy: -128.435 bonds (distance) P-C4' energy: -105.396 flat angles C4'-P-C4' energy: -142.702 flat angles P-C4'-P energy: -99.603 tors. eta vs tors. theta energy: -175.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1941.124098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.124098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.124098 (E_RNA) where: Base-Base interactions energy: -1334.760 where: short stacking energy: -593.324 Base-Backbone interact. energy: 0.784 local terms energy: -607.147834 where: bonds (distance) C4'-P energy: -102.273 bonds (distance) P-C4' energy: -120.155 flat angles C4'-P-C4' energy: -126.618 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -166.531 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: 280 Temperature: 1.000000 Total energy: -1860.838877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.838877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.838877 (E_RNA) where: Base-Base interactions energy: -1253.481 where: short stacking energy: -532.214 Base-Backbone interact. energy: -4.153 local terms energy: -603.204942 where: bonds (distance) C4'-P energy: -120.318 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -125.911 flat angles P-C4'-P energy: -88.485 tors. eta vs tors. theta energy: -155.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1708.374737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.374737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.374737 (E_RNA) where: Base-Base interactions energy: -1125.991 where: short stacking energy: -480.804 Base-Backbone interact. energy: -1.895 local terms energy: -580.489150 where: bonds (distance) C4'-P energy: -105.255 bonds (distance) P-C4' energy: -119.198 flat angles C4'-P-C4' energy: -127.220 flat angles P-C4'-P energy: -85.513 tors. eta vs tors. theta energy: -143.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1702.368798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.368798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.368798 (E_RNA) where: Base-Base interactions energy: -1159.748 where: short stacking energy: -484.250 Base-Backbone interact. energy: 0.086 local terms energy: -542.707056 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -120.302 flat angles C4'-P-C4' energy: -122.355 flat angles P-C4'-P energy: -73.557 tors. eta vs tors. theta energy: -127.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1329.668833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.668833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.668833 (E_RNA) where: Base-Base interactions energy: -878.828 where: short stacking energy: -389.064 Base-Backbone interact. energy: -0.707 local terms energy: -450.133784 where: bonds (distance) C4'-P energy: -96.266 bonds (distance) P-C4' energy: -102.857 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -93.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1169.650386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.650386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.650386 (E_RNA) where: Base-Base interactions energy: -728.217 where: short stacking energy: -342.950 Base-Backbone interact. energy: -2.154 local terms energy: -439.278667 where: bonds (distance) C4'-P energy: -83.113 bonds (distance) P-C4' energy: -97.925 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -74.684 tors. eta vs tors. theta energy: -82.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -971.604490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.604490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.604490 (E_RNA) where: Base-Base interactions energy: -590.096 where: short stacking energy: -301.540 Base-Backbone interact. energy: 3.174 local terms energy: -384.682165 where: bonds (distance) C4'-P energy: -85.379 bonds (distance) P-C4' energy: -96.596 flat angles C4'-P-C4' energy: -115.467 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: -42.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -614.362110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.362110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.362110 (E_RNA) where: Base-Base interactions energy: -254.520 where: short stacking energy: -168.174 Base-Backbone interact. energy: -2.476 local terms energy: -357.365745 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -107.429 flat angles C4'-P-C4' energy: -86.005 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -647.508235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.508235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.508235 (E_RNA) where: Base-Base interactions energy: -320.656 where: short stacking energy: -172.835 Base-Backbone interact. energy: 0.547 local terms energy: -327.399271 where: bonds (distance) C4'-P energy: -70.401 bonds (distance) P-C4' energy: -107.670 flat angles C4'-P-C4' energy: -79.564 flat angles P-C4'-P energy: -68.486 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2046.740503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.740503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.740503 (E_RNA) where: Base-Base interactions energy: -1395.377 where: short stacking energy: -608.053 Base-Backbone interact. energy: -4.818 local terms energy: -646.545587 where: bonds (distance) C4'-P energy: -121.366 bonds (distance) P-C4' energy: -118.440 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -101.980 tors. eta vs tors. theta energy: -179.562 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: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1917.324876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.324876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.324876 (E_RNA) where: Base-Base interactions energy: -1308.297 where: short stacking energy: -573.314 Base-Backbone interact. energy: 0.349 local terms energy: -609.376736 where: bonds (distance) C4'-P energy: -109.734 bonds (distance) P-C4' energy: -126.305 flat angles C4'-P-C4' energy: -131.880 flat angles P-C4'-P energy: -74.391 tors. eta vs tors. theta energy: -167.066 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: 281 Temperature: 1.000000 Total energy: -1828.112124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.112124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.112124 (E_RNA) where: Base-Base interactions energy: -1244.103 where: short stacking energy: -552.860 Base-Backbone interact. energy: 0.161 local terms energy: -584.170603 where: bonds (distance) C4'-P energy: -99.044 bonds (distance) P-C4' energy: -118.911 flat angles C4'-P-C4' energy: -128.641 flat angles P-C4'-P energy: -77.461 tors. eta vs tors. theta energy: -160.114 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: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1707.683906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.683906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.683906 (E_RNA) where: Base-Base interactions energy: -1140.318 where: short stacking energy: -488.716 Base-Backbone interact. energy: -1.881 local terms energy: -565.484906 where: bonds (distance) C4'-P energy: -104.673 bonds (distance) P-C4' energy: -121.233 flat angles C4'-P-C4' energy: -128.109 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -142.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1691.940233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.940233 (E_RNA) where: Base-Base interactions energy: -1136.821 where: short stacking energy: -477.158 Base-Backbone interact. energy: -1.527 local terms energy: -553.591511 where: bonds (distance) C4'-P energy: -114.167 bonds (distance) P-C4' energy: -109.799 flat angles C4'-P-C4' energy: -126.987 flat angles P-C4'-P energy: -75.233 tors. eta vs tors. theta energy: -127.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1390.406994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.406994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.406994 (E_RNA) where: Base-Base interactions energy: -903.574 where: short stacking energy: -399.711 Base-Backbone interact. energy: 2.251 local terms energy: -489.083936 where: bonds (distance) C4'-P energy: -97.588 bonds (distance) P-C4' energy: -96.861 flat angles C4'-P-C4' energy: -119.551 flat angles P-C4'-P energy: -72.505 tors. eta vs tors. theta energy: -102.579 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: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1112.810118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.810118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.810118 (E_RNA) where: Base-Base interactions energy: -697.123 where: short stacking energy: -349.146 Base-Backbone interact. energy: 0.409 local terms energy: -416.096325 where: bonds (distance) C4'-P energy: -84.131 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -103.183 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -75.675 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: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -937.316591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.316591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.316591 (E_RNA) where: Base-Base interactions energy: -552.203 where: short stacking energy: -271.003 Base-Backbone interact. energy: 1.351 local terms energy: -386.464533 where: bonds (distance) C4'-P energy: -91.569 bonds (distance) P-C4' energy: -100.579 flat angles C4'-P-C4' energy: -94.466 flat angles P-C4'-P energy: -55.460 tors. eta vs tors. theta energy: -44.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -644.713004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.713004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.713004 (E_RNA) where: Base-Base interactions energy: -311.212 where: short stacking energy: -198.729 Base-Backbone interact. energy: 2.120 local terms energy: -335.621628 where: bonds (distance) C4'-P energy: -98.631 bonds (distance) P-C4' energy: -78.997 flat angles C4'-P-C4' energy: -78.363 flat angles P-C4'-P energy: -66.453 tors. eta vs tors. theta energy: -13.178 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: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -644.688585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.688585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.688585 (E_RNA) where: Base-Base interactions energy: -300.356 where: short stacking energy: -161.975 Base-Backbone interact. energy: 0.755 local terms energy: -345.087482 where: bonds (distance) C4'-P energy: -100.159 bonds (distance) P-C4' energy: -100.394 flat angles C4'-P-C4' energy: -81.815 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -18.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2077.209545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.209545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.209545 (E_RNA) where: Base-Base interactions energy: -1429.914 where: short stacking energy: -621.187 Base-Backbone interact. energy: -1.475 local terms energy: -645.820990 where: bonds (distance) C4'-P energy: -110.597 bonds (distance) P-C4' energy: -127.091 flat angles C4'-P-C4' energy: -133.553 flat angles P-C4'-P energy: -84.677 tors. eta vs tors. theta energy: -189.903 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: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1922.595546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.595546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.595546 (E_RNA) where: Base-Base interactions energy: -1322.100 where: short stacking energy: -578.426 Base-Backbone interact. energy: -4.013 local terms energy: -596.482772 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -106.884 flat angles C4'-P-C4' energy: -128.511 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: -163.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1849.522307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.522307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.522307 (E_RNA) where: Base-Base interactions energy: -1259.859 where: short stacking energy: -534.605 Base-Backbone interact. energy: -0.674 local terms energy: -588.989437 where: bonds (distance) C4'-P energy: -104.706 bonds (distance) P-C4' energy: -116.982 flat angles C4'-P-C4' energy: -127.530 flat angles P-C4'-P energy: -82.481 tors. eta vs tors. theta energy: -157.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1762.940567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.940567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.940567 (E_RNA) where: Base-Base interactions energy: -1183.715 where: short stacking energy: -535.613 Base-Backbone interact. energy: -1.023 local terms energy: -578.202298 where: bonds (distance) C4'-P energy: -103.236 bonds (distance) P-C4' energy: -111.866 flat angles C4'-P-C4' energy: -127.444 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -160.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1683.611597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.611597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.611597 (E_RNA) where: Base-Base interactions energy: -1138.188 where: short stacking energy: -479.637 Base-Backbone interact. energy: -4.422 local terms energy: -541.001996 where: bonds (distance) C4'-P energy: -96.766 bonds (distance) P-C4' energy: -106.916 flat angles C4'-P-C4' energy: -124.632 flat angles P-C4'-P energy: -83.311 tors. eta vs tors. theta energy: -129.378 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: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1431.811160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.811160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.811160 (E_RNA) where: Base-Base interactions energy: -919.611 where: short stacking energy: -419.248 Base-Backbone interact. energy: -0.489 local terms energy: -511.710755 where: bonds (distance) C4'-P energy: -103.690 bonds (distance) P-C4' energy: -102.356 flat angles C4'-P-C4' energy: -111.896 flat angles P-C4'-P energy: -77.987 tors. eta vs tors. theta energy: -115.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1101.965968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.965968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.965968 (E_RNA) where: Base-Base interactions energy: -680.543 where: short stacking energy: -313.467 Base-Backbone interact. energy: 7.304 local terms energy: -428.727634 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -108.065 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -57.547 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: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -998.573595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.573595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.573595 (E_RNA) where: Base-Base interactions energy: -600.928 where: short stacking energy: -269.007 Base-Backbone interact. energy: 3.480 local terms energy: -401.125952 where: bonds (distance) C4'-P energy: -91.013 bonds (distance) P-C4' energy: -105.936 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -66.126 tors. eta vs tors. theta energy: -46.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -649.586013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.586013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.586013 (E_RNA) where: Base-Base interactions energy: -324.853 where: short stacking energy: -182.766 Base-Backbone interact. energy: 9.476 local terms energy: -334.208473 where: bonds (distance) C4'-P energy: -89.563 bonds (distance) P-C4' energy: -99.382 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -57.856 tors. eta vs tors. theta energy: 6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -593.769393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.769393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.769393 (E_RNA) where: Base-Base interactions energy: -312.097 where: short stacking energy: -180.037 Base-Backbone interact. energy: -0.406 local terms energy: -281.266727 where: bonds (distance) C4'-P energy: -59.580 bonds (distance) P-C4' energy: -99.122 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: 5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2050.774372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.774372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.774372 (E_RNA) where: Base-Base interactions energy: -1427.289 where: short stacking energy: -616.051 Base-Backbone interact. energy: -3.912 local terms energy: -619.573415 where: bonds (distance) C4'-P energy: -100.018 bonds (distance) P-C4' energy: -119.132 flat angles C4'-P-C4' energy: -139.707 flat angles P-C4'-P energy: -83.667 tors. eta vs tors. theta energy: -177.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1967.413818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.413818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.413818 (E_RNA) where: Base-Base interactions energy: -1347.511 where: short stacking energy: -602.253 Base-Backbone interact. energy: -2.566 local terms energy: -617.336697 where: bonds (distance) C4'-P energy: -102.983 bonds (distance) P-C4' energy: -106.649 flat angles C4'-P-C4' energy: -136.056 flat angles P-C4'-P energy: -94.726 tors. eta vs tors. theta energy: -176.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1836.622224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.622224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.622224 (E_RNA) where: Base-Base interactions energy: -1237.634 where: short stacking energy: -523.105 Base-Backbone interact. energy: -1.663 local terms energy: -597.324855 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -115.664 flat angles C4'-P-C4' energy: -116.804 flat angles P-C4'-P energy: -91.924 tors. eta vs tors. theta energy: -158.284 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: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1736.579783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.579783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.579783 (E_RNA) where: Base-Base interactions energy: -1184.692 where: short stacking energy: -495.919 Base-Backbone interact. energy: -2.403 local terms energy: -549.485292 where: bonds (distance) C4'-P energy: -103.404 bonds (distance) P-C4' energy: -107.471 flat angles C4'-P-C4' energy: -126.090 flat angles P-C4'-P energy: -68.808 tors. eta vs tors. theta energy: -143.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1663.872267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.872267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.872267 (E_RNA) where: Base-Base interactions energy: -1127.480 where: short stacking energy: -490.520 Base-Backbone interact. energy: 0.602 local terms energy: -536.994062 where: bonds (distance) C4'-P energy: -98.752 bonds (distance) P-C4' energy: -111.092 flat angles C4'-P-C4' energy: -115.757 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -140.786 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: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1465.356547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.356547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.356547 (E_RNA) where: Base-Base interactions energy: -982.598 where: short stacking energy: -431.790 Base-Backbone interact. energy: -1.315 local terms energy: -481.443082 where: bonds (distance) C4'-P energy: -100.874 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -111.256 flat angles P-C4'-P energy: -59.069 tors. eta vs tors. theta energy: -108.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1112.708070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.708070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.708070 (E_RNA) where: Base-Base interactions energy: -680.390 where: short stacking energy: -308.831 Base-Backbone interact. energy: -1.184 local terms energy: -431.133622 where: bonds (distance) C4'-P energy: -106.782 bonds (distance) P-C4' energy: -95.732 flat angles C4'-P-C4' energy: -103.919 flat angles P-C4'-P energy: -69.903 tors. eta vs tors. theta energy: -54.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -980.269631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.269631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.269631 (E_RNA) where: Base-Base interactions energy: -584.505 where: short stacking energy: -253.541 Base-Backbone interact. energy: -1.728 local terms energy: -394.037275 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -57.331 tors. eta vs tors. theta energy: -36.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -611.884783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.884783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.884783 (E_RNA) where: Base-Base interactions energy: -279.108 where: short stacking energy: -170.589 Base-Backbone interact. energy: -3.763 local terms energy: -329.014381 where: bonds (distance) C4'-P energy: -94.793 bonds (distance) P-C4' energy: -101.389 flat angles C4'-P-C4' energy: -91.829 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: 0.015 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: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -634.772622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.772622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.772622 (E_RNA) where: Base-Base interactions energy: -302.603 where: short stacking energy: -186.647 Base-Backbone interact. energy: -1.079 local terms energy: -331.090743 where: bonds (distance) C4'-P energy: -96.624 bonds (distance) P-C4' energy: -94.528 flat angles C4'-P-C4' energy: -86.944 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -13.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2037.192689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.192689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.192689 (E_RNA) where: Base-Base interactions energy: -1408.911 where: short stacking energy: -617.668 Base-Backbone interact. energy: -4.482 local terms energy: -623.800489 where: bonds (distance) C4'-P energy: -117.630 bonds (distance) P-C4' energy: -104.137 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -83.796 tors. eta vs tors. theta energy: -176.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1955.681769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.681769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.681769 (E_RNA) where: Base-Base interactions energy: -1367.683 where: short stacking energy: -601.569 Base-Backbone interact. energy: 0.177 local terms energy: -588.176110 where: bonds (distance) C4'-P energy: -101.321 bonds (distance) P-C4' energy: -110.991 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -173.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1849.562671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.562671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.562671 (E_RNA) where: Base-Base interactions energy: -1264.448 where: short stacking energy: -543.577 Base-Backbone interact. energy: -3.685 local terms energy: -581.429723 where: bonds (distance) C4'-P energy: -102.234 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -124.627 flat angles P-C4'-P energy: -85.822 tors. eta vs tors. theta energy: -156.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1703.331057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.331057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.331057 (E_RNA) where: Base-Base interactions energy: -1156.714 where: short stacking energy: -512.181 Base-Backbone interact. energy: -0.846 local terms energy: -545.771507 where: bonds (distance) C4'-P energy: -104.692 bonds (distance) P-C4' energy: -102.340 flat angles C4'-P-C4' energy: -110.536 flat angles P-C4'-P energy: -76.321 tors. eta vs tors. theta energy: -151.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1651.450979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.450979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.450979 (E_RNA) where: Base-Base interactions energy: -1132.922 where: short stacking energy: -492.514 Base-Backbone interact. energy: 0.824 local terms energy: -519.352803 where: bonds (distance) C4'-P energy: -71.413 bonds (distance) P-C4' energy: -102.385 flat angles C4'-P-C4' energy: -121.365 flat angles P-C4'-P energy: -77.886 tors. eta vs tors. theta energy: -146.303 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: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1501.127427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.127427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.127427 (E_RNA) where: Base-Base interactions energy: -973.621 where: short stacking energy: -456.033 Base-Backbone interact. energy: -1.139 local terms energy: -526.367222 where: bonds (distance) C4'-P energy: -108.032 bonds (distance) P-C4' energy: -103.993 flat angles C4'-P-C4' energy: -107.872 flat angles P-C4'-P energy: -73.672 tors. eta vs tors. theta energy: -132.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1141.577544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.577544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.577544 (E_RNA) where: Base-Base interactions energy: -683.992 where: short stacking energy: -328.020 Base-Backbone interact. energy: -1.281 local terms energy: -456.304104 where: bonds (distance) C4'-P energy: -109.727 bonds (distance) P-C4' energy: -97.979 flat angles C4'-P-C4' energy: -96.674 flat angles P-C4'-P energy: -67.075 tors. eta vs tors. theta energy: -84.850 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: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -985.128049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.128049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.128049 (E_RNA) where: Base-Base interactions energy: -601.272 where: short stacking energy: -297.854 Base-Backbone interact. energy: -2.032 local terms energy: -381.824028 where: bonds (distance) C4'-P energy: -92.668 bonds (distance) P-C4' energy: -94.494 flat angles C4'-P-C4' energy: -95.728 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -55.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -671.401000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.401000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.401000 (E_RNA) where: Base-Base interactions energy: -343.837 where: short stacking energy: -181.746 Base-Backbone interact. energy: 3.929 local terms energy: -331.492549 where: bonds (distance) C4'-P energy: -98.784 bonds (distance) P-C4' energy: -101.047 flat angles C4'-P-C4' energy: -76.088 flat angles P-C4'-P energy: -60.132 tors. eta vs tors. theta energy: 4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -651.658033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.658033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.658033 (E_RNA) where: Base-Base interactions energy: -328.860 where: short stacking energy: -182.080 Base-Backbone interact. energy: 0.288 local terms energy: -323.085825 where: bonds (distance) C4'-P energy: -78.989 bonds (distance) P-C4' energy: -90.810 flat angles C4'-P-C4' energy: -100.925 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: 1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2038.716122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.716122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.716122 (E_RNA) where: Base-Base interactions energy: -1388.308 where: short stacking energy: -607.450 Base-Backbone interact. energy: -3.214 local terms energy: -647.193988 where: bonds (distance) C4'-P energy: -121.376 bonds (distance) P-C4' energy: -120.717 flat angles C4'-P-C4' energy: -130.966 flat angles P-C4'-P energy: -85.929 tors. eta vs tors. theta energy: -188.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1979.734188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.734188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.734188 (E_RNA) where: Base-Base interactions energy: -1364.573 where: short stacking energy: -607.829 Base-Backbone interact. energy: -2.064 local terms energy: -613.097107 where: bonds (distance) C4'-P energy: -114.812 bonds (distance) P-C4' energy: -111.071 flat angles C4'-P-C4' energy: -119.757 flat angles P-C4'-P energy: -96.415 tors. eta vs tors. theta energy: -171.043 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: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1795.475522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.475522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.475522 (E_RNA) where: Base-Base interactions energy: -1201.088 where: short stacking energy: -508.518 Base-Backbone interact. energy: -1.999 local terms energy: -592.388900 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -113.065 flat angles C4'-P-C4' energy: -123.580 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -152.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1687.682298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.682298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.682298 (E_RNA) where: Base-Base interactions energy: -1118.379 where: short stacking energy: -468.391 Base-Backbone interact. energy: -0.984 local terms energy: -568.319610 where: bonds (distance) C4'-P energy: -113.696 bonds (distance) P-C4' energy: -115.507 flat angles C4'-P-C4' energy: -122.824 flat angles P-C4'-P energy: -80.441 tors. eta vs tors. theta energy: -135.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1638.232005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.232005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.232005 (E_RNA) where: Base-Base interactions energy: -1098.902 where: short stacking energy: -473.282 Base-Backbone interact. energy: -4.011 local terms energy: -535.319115 where: bonds (distance) C4'-P energy: -97.488 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -111.439 flat angles P-C4'-P energy: -79.953 tors. eta vs tors. theta energy: -134.283 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: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1388.939657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.939657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.939657 (E_RNA) where: Base-Base interactions energy: -925.836 where: short stacking energy: -395.208 Base-Backbone interact. energy: 6.109 local terms energy: -469.212498 where: bonds (distance) C4'-P energy: -95.001 bonds (distance) P-C4' energy: -98.567 flat angles C4'-P-C4' energy: -117.806 flat angles P-C4'-P energy: -61.995 tors. eta vs tors. theta energy: -95.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1155.054003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.054003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.054003 (E_RNA) where: Base-Base interactions energy: -712.060 where: short stacking energy: -316.392 Base-Backbone interact. energy: 2.365 local terms energy: -445.358996 where: bonds (distance) C4'-P energy: -98.962 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -95.896 flat angles P-C4'-P energy: -66.243 tors. eta vs tors. theta energy: -68.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -994.701937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.701937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.701937 (E_RNA) where: Base-Base interactions energy: -587.318 where: short stacking energy: -307.848 Base-Backbone interact. energy: 0.768 local terms energy: -408.152226 where: bonds (distance) C4'-P energy: -88.884 bonds (distance) P-C4' energy: -98.036 flat angles C4'-P-C4' energy: -98.195 flat angles P-C4'-P energy: -64.460 tors. eta vs tors. theta energy: -58.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -782.348129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.348129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.348129 (E_RNA) where: Base-Base interactions energy: -445.970 where: short stacking energy: -219.989 Base-Backbone interact. energy: 3.130 local terms energy: -339.507933 where: bonds (distance) C4'-P energy: -98.149 bonds (distance) P-C4' energy: -103.136 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -48.987 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: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -556.141760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.141760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.141760 (E_RNA) where: Base-Base interactions energy: -261.195 where: short stacking energy: -157.757 Base-Backbone interact. energy: 0.636 local terms energy: -295.582912 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -82.329 flat angles C4'-P-C4' energy: -67.766 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: 5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2044.569914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.569914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.569914 (E_RNA) where: Base-Base interactions energy: -1411.635 where: short stacking energy: -620.253 Base-Backbone interact. energy: -2.555 local terms energy: -630.380094 where: bonds (distance) C4'-P energy: -102.798 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -134.883 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -185.765 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: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1964.691629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.691629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.691629 (E_RNA) where: Base-Base interactions energy: -1352.214 where: short stacking energy: -556.597 Base-Backbone interact. energy: -4.202 local terms energy: -608.275772 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -122.029 flat angles C4'-P-C4' energy: -126.360 flat angles P-C4'-P energy: -90.670 tors. eta vs tors. theta energy: -156.726 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: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1839.115558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.115558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.115558 (E_RNA) where: Base-Base interactions energy: -1243.045 where: short stacking energy: -537.386 Base-Backbone interact. energy: -4.068 local terms energy: -592.003035 where: bonds (distance) C4'-P energy: -106.997 bonds (distance) P-C4' energy: -100.485 flat angles C4'-P-C4' energy: -134.929 flat angles P-C4'-P energy: -96.190 tors. eta vs tors. theta energy: -153.402 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: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1721.772874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.772874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.772874 (E_RNA) where: Base-Base interactions energy: -1165.705 where: short stacking energy: -508.621 Base-Backbone interact. energy: -0.209 local terms energy: -555.859102 where: bonds (distance) C4'-P energy: -105.150 bonds (distance) P-C4' energy: -112.800 flat angles C4'-P-C4' energy: -114.501 flat angles P-C4'-P energy: -69.284 tors. eta vs tors. theta energy: -154.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1622.600717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.600717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.600717 (E_RNA) where: Base-Base interactions energy: -1113.439 where: short stacking energy: -469.571 Base-Backbone interact. energy: 0.634 local terms energy: -509.795247 where: bonds (distance) C4'-P energy: -105.210 bonds (distance) P-C4' energy: -95.078 flat angles C4'-P-C4' energy: -120.360 flat angles P-C4'-P energy: -57.152 tors. eta vs tors. theta energy: -131.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1382.569005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.569005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.569005 (E_RNA) where: Base-Base interactions energy: -923.230 where: short stacking energy: -406.804 Base-Backbone interact. energy: -0.220 local terms energy: -459.119150 where: bonds (distance) C4'-P energy: -83.775 bonds (distance) P-C4' energy: -97.359 flat angles C4'-P-C4' energy: -107.625 flat angles P-C4'-P energy: -74.982 tors. eta vs tors. theta energy: -95.378 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: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1214.979690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.979690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.979690 (E_RNA) where: Base-Base interactions energy: -761.743 where: short stacking energy: -380.586 Base-Backbone interact. energy: 1.883 local terms energy: -455.119226 where: bonds (distance) C4'-P energy: -83.375 bonds (distance) P-C4' energy: -97.568 flat angles C4'-P-C4' energy: -112.204 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: -96.205 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: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -970.099771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.099771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.099771 (E_RNA) where: Base-Base interactions energy: -581.426 where: short stacking energy: -296.641 Base-Backbone interact. energy: -2.476 local terms energy: -386.198160 where: bonds (distance) C4'-P energy: -83.519 bonds (distance) P-C4' energy: -96.818 flat angles C4'-P-C4' energy: -98.036 flat angles P-C4'-P energy: -52.077 tors. eta vs tors. theta energy: -55.748 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: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -796.338505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.338505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.338505 (E_RNA) where: Base-Base interactions energy: -446.776 where: short stacking energy: -218.440 Base-Backbone interact. energy: 0.472 local terms energy: -350.034660 where: bonds (distance) C4'-P energy: -96.423 bonds (distance) P-C4' energy: -100.599 flat angles C4'-P-C4' energy: -79.810 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -18.922 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: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -531.810513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.810513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.810513 (E_RNA) where: Base-Base interactions energy: -231.587 where: short stacking energy: -136.906 Base-Backbone interact. energy: -0.380 local terms energy: -299.844164 where: bonds (distance) C4'-P energy: -92.297 bonds (distance) P-C4' energy: -110.213 flat angles C4'-P-C4' energy: -56.552 flat angles P-C4'-P energy: -53.776 tors. eta vs tors. theta energy: 12.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2056.118221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.118221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.118221 (E_RNA) where: Base-Base interactions energy: -1408.891 where: short stacking energy: -635.923 Base-Backbone interact. energy: 0.701 local terms energy: -647.928093 where: bonds (distance) C4'-P energy: -116.008 bonds (distance) P-C4' energy: -116.265 flat angles C4'-P-C4' energy: -126.812 flat angles P-C4'-P energy: -98.008 tors. eta vs tors. theta energy: -190.835 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: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1938.124735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.124735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.124735 (E_RNA) where: Base-Base interactions energy: -1353.913 where: short stacking energy: -580.242 Base-Backbone interact. energy: -1.496 local terms energy: -582.715848 where: bonds (distance) C4'-P energy: -95.197 bonds (distance) P-C4' energy: -100.207 flat angles C4'-P-C4' energy: -130.046 flat angles P-C4'-P energy: -88.348 tors. eta vs tors. theta energy: -168.919 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: 287 Temperature: 1.000000 Total energy: -1860.957530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.957530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.957530 (E_RNA) where: Base-Base interactions energy: -1252.188 where: short stacking energy: -536.891 Base-Backbone interact. energy: -4.744 local terms energy: -604.025486 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -115.755 flat angles C4'-P-C4' energy: -126.487 flat angles P-C4'-P energy: -95.420 tors. eta vs tors. theta energy: -158.453 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: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1746.273884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.273884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.273884 (E_RNA) where: Base-Base interactions energy: -1194.681 where: short stacking energy: -503.486 Base-Backbone interact. energy: -1.504 local terms energy: -550.088416 where: bonds (distance) C4'-P energy: -98.473 bonds (distance) P-C4' energy: -106.281 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: -150.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1626.030634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.030634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.030634 (E_RNA) where: Base-Base interactions energy: -1096.487 where: short stacking energy: -453.918 Base-Backbone interact. energy: -0.650 local terms energy: -528.893051 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -112.010 flat angles C4'-P-C4' energy: -111.821 flat angles P-C4'-P energy: -65.967 tors. eta vs tors. theta energy: -120.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1389.807700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.807700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.807700 (E_RNA) where: Base-Base interactions energy: -921.697 where: short stacking energy: -423.180 Base-Backbone interact. energy: -0.455 local terms energy: -467.654817 where: bonds (distance) C4'-P energy: -87.585 bonds (distance) P-C4' energy: -104.110 flat angles C4'-P-C4' energy: -100.482 flat angles P-C4'-P energy: -65.612 tors. eta vs tors. theta energy: -109.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1173.390891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.390891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.390891 (E_RNA) where: Base-Base interactions energy: -750.363 where: short stacking energy: -308.674 Base-Backbone interact. energy: -2.143 local terms energy: -420.885160 where: bonds (distance) C4'-P energy: -103.323 bonds (distance) P-C4' energy: -94.536 flat angles C4'-P-C4' energy: -104.006 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -57.825 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: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -991.247567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.247567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.247567 (E_RNA) where: Base-Base interactions energy: -605.761 where: short stacking energy: -288.249 Base-Backbone interact. energy: 0.212 local terms energy: -385.698804 where: bonds (distance) C4'-P energy: -82.958 bonds (distance) P-C4' energy: -108.206 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -37.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -691.720231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.720231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.720231 (E_RNA) where: Base-Base interactions energy: -370.089 where: short stacking energy: -187.716 Base-Backbone interact. energy: 0.754 local terms energy: -322.384935 where: bonds (distance) C4'-P energy: -85.671 bonds (distance) P-C4' energy: -92.848 flat angles C4'-P-C4' energy: -79.077 flat angles P-C4'-P energy: -62.261 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -540.632414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.632414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.632414 (E_RNA) where: Base-Base interactions energy: -233.790 where: short stacking energy: -136.583 Base-Backbone interact. energy: -1.320 local terms energy: -305.522684 where: bonds (distance) C4'-P energy: -95.736 bonds (distance) P-C4' energy: -91.956 flat angles C4'-P-C4' energy: -101.051 flat angles P-C4'-P energy: -39.439 tors. eta vs tors. theta energy: 22.660 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: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2034.283047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.283047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.283047 (E_RNA) where: Base-Base interactions energy: -1387.427 where: short stacking energy: -611.349 Base-Backbone interact. energy: -3.463 local terms energy: -643.392272 where: bonds (distance) C4'-P energy: -126.053 bonds (distance) P-C4' energy: -115.803 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -85.867 tors. eta vs tors. theta energy: -181.073 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: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1934.925135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.925135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.925135 (E_RNA) where: Base-Base interactions energy: -1292.084 where: short stacking energy: -567.876 Base-Backbone interact. energy: -1.658 local terms energy: -641.183213 where: bonds (distance) C4'-P energy: -119.362 bonds (distance) P-C4' energy: -123.380 flat angles C4'-P-C4' energy: -137.100 flat angles P-C4'-P energy: -92.264 tors. eta vs tors. theta energy: -169.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1843.614288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.614288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.614288 (E_RNA) where: Base-Base interactions energy: -1271.779 where: short stacking energy: -535.282 Base-Backbone interact. energy: -2.721 local terms energy: -569.113745 where: bonds (distance) C4'-P energy: -100.245 bonds (distance) P-C4' energy: -107.681 flat angles C4'-P-C4' energy: -125.995 flat angles P-C4'-P energy: -79.698 tors. eta vs tors. theta energy: -155.495 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: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1753.698979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.698979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.698979 (E_RNA) where: Base-Base interactions energy: -1201.227 where: short stacking energy: -516.878 Base-Backbone interact. energy: -0.236 local terms energy: -552.235921 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -107.002 flat angles C4'-P-C4' energy: -128.436 flat angles P-C4'-P energy: -75.906 tors. eta vs tors. theta energy: -147.252 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: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1652.769771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.769771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.769771 (E_RNA) where: Base-Base interactions energy: -1128.900 where: short stacking energy: -507.958 Base-Backbone interact. energy: 0.297 local terms energy: -524.167438 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -107.875 flat angles C4'-P-C4' energy: -109.962 flat angles P-C4'-P energy: -79.797 tors. eta vs tors. theta energy: -133.350 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: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1413.194014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.194014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.194014 (E_RNA) where: Base-Base interactions energy: -938.391 where: short stacking energy: -397.992 Base-Backbone interact. energy: -2.981 local terms energy: -471.822196 where: bonds (distance) C4'-P energy: -91.839 bonds (distance) P-C4' energy: -112.327 flat angles C4'-P-C4' energy: -107.782 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -89.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1173.642150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.642150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.642150 (E_RNA) where: Base-Base interactions energy: -730.986 where: short stacking energy: -336.844 Base-Backbone interact. energy: -3.490 local terms energy: -439.165442 where: bonds (distance) C4'-P energy: -87.059 bonds (distance) P-C4' energy: -98.132 flat angles C4'-P-C4' energy: -112.880 flat angles P-C4'-P energy: -69.461 tors. eta vs tors. theta energy: -71.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -984.583495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.583495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.583495 (E_RNA) where: Base-Base interactions energy: -601.174 where: short stacking energy: -287.370 Base-Backbone interact. energy: -4.235 local terms energy: -379.173994 where: bonds (distance) C4'-P energy: -95.413 bonds (distance) P-C4' energy: -75.206 flat angles C4'-P-C4' energy: -88.049 flat angles P-C4'-P energy: -71.300 tors. eta vs tors. theta energy: -49.206 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: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -723.302914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.302914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.302914 (E_RNA) where: Base-Base interactions energy: -373.626 where: short stacking energy: -215.147 Base-Backbone interact. energy: 0.170 local terms energy: -349.846353 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -92.187 flat angles C4'-P-C4' energy: -91.678 flat angles P-C4'-P energy: -50.306 tors. eta vs tors. theta energy: -19.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -570.424288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.424288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.424288 (E_RNA) where: Base-Base interactions energy: -279.284 where: short stacking energy: -161.921 Base-Backbone interact. energy: 1.284 local terms energy: -292.423830 where: bonds (distance) C4'-P energy: -99.047 bonds (distance) P-C4' energy: -76.947 flat angles C4'-P-C4' energy: -74.128 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: 15.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2051.034801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.034801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.034801 (E_RNA) where: Base-Base interactions energy: -1436.333 where: short stacking energy: -613.834 Base-Backbone interact. energy: -2.649 local terms energy: -612.052296 where: bonds (distance) C4'-P energy: -109.449 bonds (distance) P-C4' energy: -105.661 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -85.555 tors. eta vs tors. theta energy: -177.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1929.854685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.854685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.854685 (E_RNA) where: Base-Base interactions energy: -1304.818 where: short stacking energy: -578.798 Base-Backbone interact. energy: -1.706 local terms energy: -623.331207 where: bonds (distance) C4'-P energy: -121.196 bonds (distance) P-C4' energy: -127.440 flat angles C4'-P-C4' energy: -119.384 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -175.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1831.414802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.414802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.414802 (E_RNA) where: Base-Base interactions energy: -1240.252 where: short stacking energy: -546.473 Base-Backbone interact. energy: -3.031 local terms energy: -588.132450 where: bonds (distance) C4'-P energy: -99.153 bonds (distance) P-C4' energy: -104.408 flat angles C4'-P-C4' energy: -131.507 flat angles P-C4'-P energy: -80.363 tors. eta vs tors. theta energy: -172.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1766.033610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.033610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.033610 (E_RNA) where: Base-Base interactions energy: -1198.605 where: short stacking energy: -508.741 Base-Backbone interact. energy: 7.031 local terms energy: -574.460384 where: bonds (distance) C4'-P energy: -108.962 bonds (distance) P-C4' energy: -113.303 flat angles C4'-P-C4' energy: -128.915 flat angles P-C4'-P energy: -75.767 tors. eta vs tors. theta energy: -147.514 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: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1608.769447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.769447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.769447 (E_RNA) where: Base-Base interactions energy: -1086.143 where: short stacking energy: -468.520 Base-Backbone interact. energy: -1.737 local terms energy: -520.889705 where: bonds (distance) C4'-P energy: -92.610 bonds (distance) P-C4' energy: -99.465 flat angles C4'-P-C4' energy: -118.757 flat angles P-C4'-P energy: -76.166 tors. eta vs tors. theta energy: -133.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1459.141567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.141567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.141567 (E_RNA) where: Base-Base interactions energy: -964.903 where: short stacking energy: -389.139 Base-Backbone interact. energy: -0.736 local terms energy: -493.503265 where: bonds (distance) C4'-P energy: -109.110 bonds (distance) P-C4' energy: -114.911 flat angles C4'-P-C4' energy: -115.182 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: -91.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1181.918560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.918560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.918560 (E_RNA) where: Base-Base interactions energy: -726.904 where: short stacking energy: -363.104 Base-Backbone interact. energy: -0.162 local terms energy: -454.851884 where: bonds (distance) C4'-P energy: -87.351 bonds (distance) P-C4' energy: -118.732 flat angles C4'-P-C4' energy: -99.833 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -84.083 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: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1041.790230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.790230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.790230 (E_RNA) where: Base-Base interactions energy: -665.565 where: short stacking energy: -319.784 Base-Backbone interact. energy: -1.057 local terms energy: -375.167442 where: bonds (distance) C4'-P energy: -89.562 bonds (distance) P-C4' energy: -101.247 flat angles C4'-P-C4' energy: -80.426 flat angles P-C4'-P energy: -40.881 tors. eta vs tors. theta energy: -63.051 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: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -652.482557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.482557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.482557 (E_RNA) where: Base-Base interactions energy: -322.975 where: short stacking energy: -179.372 Base-Backbone interact. energy: -1.165 local terms energy: -328.343121 where: bonds (distance) C4'-P energy: -93.445 bonds (distance) P-C4' energy: -94.390 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -57.682 tors. eta vs tors. theta energy: -4.349 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: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -569.061697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.061697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.061697 (E_RNA) where: Base-Base interactions energy: -263.547 where: short stacking energy: -169.476 Base-Backbone interact. energy: 3.713 local terms energy: -309.227732 where: bonds (distance) C4'-P energy: -83.587 bonds (distance) P-C4' energy: -87.826 flat angles C4'-P-C4' energy: -88.451 flat angles P-C4'-P energy: -54.755 tors. eta vs tors. theta energy: 5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2055.606433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.606433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.606433 (E_RNA) where: Base-Base interactions energy: -1396.330 where: short stacking energy: -611.391 Base-Backbone interact. energy: 5.086 local terms energy: -664.362578 where: bonds (distance) C4'-P energy: -127.060 bonds (distance) P-C4' energy: -125.823 flat angles C4'-P-C4' energy: -130.983 flat angles P-C4'-P energy: -93.639 tors. eta vs tors. theta energy: -186.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1950.924452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.924452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.924452 (E_RNA) where: Base-Base interactions energy: -1327.985 where: short stacking energy: -590.950 Base-Backbone interact. energy: -3.038 local terms energy: -619.901590 where: bonds (distance) C4'-P energy: -128.600 bonds (distance) P-C4' energy: -104.284 flat angles C4'-P-C4' energy: -131.753 flat angles P-C4'-P energy: -86.465 tors. eta vs tors. theta energy: -168.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1823.335807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.335807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.335807 (E_RNA) where: Base-Base interactions energy: -1241.090 where: short stacking energy: -518.003 Base-Backbone interact. energy: -2.273 local terms energy: -579.973083 where: bonds (distance) C4'-P energy: -102.143 bonds (distance) P-C4' energy: -125.067 flat angles C4'-P-C4' energy: -128.923 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -150.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1679.866632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.866632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.866632 (E_RNA) where: Base-Base interactions energy: -1146.994 where: short stacking energy: -486.154 Base-Backbone interact. energy: -1.945 local terms energy: -530.927626 where: bonds (distance) C4'-P energy: -113.124 bonds (distance) P-C4' energy: -97.044 flat angles C4'-P-C4' energy: -121.342 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -131.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1597.880047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.880047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.880047 (E_RNA) where: Base-Base interactions energy: -1058.892 where: short stacking energy: -454.466 Base-Backbone interact. energy: 3.615 local terms energy: -542.603145 where: bonds (distance) C4'-P energy: -119.862 bonds (distance) P-C4' energy: -103.504 flat angles C4'-P-C4' energy: -120.969 flat angles P-C4'-P energy: -85.051 tors. eta vs tors. theta energy: -113.217 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: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1460.351239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.351239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.351239 (E_RNA) where: Base-Base interactions energy: -970.716 where: short stacking energy: -423.181 Base-Backbone interact. energy: -1.028 local terms energy: -488.607059 where: bonds (distance) C4'-P energy: -107.564 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -91.874 flat angles P-C4'-P energy: -78.670 tors. eta vs tors. theta energy: -110.632 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: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1155.412493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.412493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.412493 (E_RNA) where: Base-Base interactions energy: -722.941 where: short stacking energy: -318.154 Base-Backbone interact. energy: 4.119 local terms energy: -436.590216 where: bonds (distance) C4'-P energy: -96.221 bonds (distance) P-C4' energy: -100.540 flat angles C4'-P-C4' energy: -101.638 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -71.746 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: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1004.860724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.860724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.860724 (E_RNA) where: Base-Base interactions energy: -588.456 where: short stacking energy: -302.091 Base-Backbone interact. energy: -1.691 local terms energy: -414.713961 where: bonds (distance) C4'-P energy: -101.753 bonds (distance) P-C4' energy: -107.904 flat angles C4'-P-C4' energy: -100.748 flat angles P-C4'-P energy: -56.257 tors. eta vs tors. theta energy: -48.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -627.132963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.132963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.132963 (E_RNA) where: Base-Base interactions energy: -282.208 where: short stacking energy: -163.815 Base-Backbone interact. energy: 1.498 local terms energy: -346.423269 where: bonds (distance) C4'-P energy: -76.877 bonds (distance) P-C4' energy: -106.097 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: -10.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -531.555937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.555937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.555937 (E_RNA) where: Base-Base interactions energy: -222.428 where: short stacking energy: -133.591 Base-Backbone interact. energy: 0.020 local terms energy: -309.148029 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -98.588 flat angles C4'-P-C4' energy: -85.778 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: 7.802 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: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2034.645014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.645014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.645014 (E_RNA) where: Base-Base interactions energy: -1410.072 where: short stacking energy: -632.119 Base-Backbone interact. energy: -3.346 local terms energy: -621.227466 where: bonds (distance) C4'-P energy: -109.162 bonds (distance) P-C4' energy: -108.803 flat angles C4'-P-C4' energy: -129.260 flat angles P-C4'-P energy: -93.353 tors. eta vs tors. theta energy: -180.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1979.063055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.063055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.063055 (E_RNA) where: Base-Base interactions energy: -1361.339 where: short stacking energy: -597.487 Base-Backbone interact. energy: -3.092 local terms energy: -614.632632 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -103.266 flat angles C4'-P-C4' energy: -135.372 flat angles P-C4'-P energy: -85.503 tors. eta vs tors. theta energy: -173.273 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: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1819.250319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.250319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.250319 (E_RNA) where: Base-Base interactions energy: -1240.147 where: short stacking energy: -559.604 Base-Backbone interact. energy: -3.419 local terms energy: -575.684640 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -111.571 flat angles C4'-P-C4' energy: -129.502 flat angles P-C4'-P energy: -77.301 tors. eta vs tors. theta energy: -151.575 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: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1726.922699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.922699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.922699 (E_RNA) where: Base-Base interactions energy: -1182.818 where: short stacking energy: -499.712 Base-Backbone interact. energy: 2.592 local terms energy: -546.696316 where: bonds (distance) C4'-P energy: -111.389 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -109.830 flat angles P-C4'-P energy: -81.678 tors. eta vs tors. theta energy: -136.068 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: 291 Temperature: 1.100000 Total energy: -1612.892078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.892078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.892078 (E_RNA) where: Base-Base interactions energy: -1110.871 where: short stacking energy: -488.579 Base-Backbone interact. energy: -2.859 local terms energy: -499.162037 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -104.704 flat angles C4'-P-C4' energy: -113.608 flat angles P-C4'-P energy: -62.554 tors. eta vs tors. theta energy: -125.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1461.614800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.614800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.614800 (E_RNA) where: Base-Base interactions energy: -969.265 where: short stacking energy: -424.748 Base-Backbone interact. energy: 0.076 local terms energy: -492.425644 where: bonds (distance) C4'-P energy: -91.677 bonds (distance) P-C4' energy: -107.723 flat angles C4'-P-C4' energy: -108.101 flat angles P-C4'-P energy: -75.120 tors. eta vs tors. theta energy: -109.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1108.732135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.732135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.732135 (E_RNA) where: Base-Base interactions energy: -687.621 where: short stacking energy: -325.290 Base-Backbone interact. energy: -2.070 local terms energy: -419.040735 where: bonds (distance) C4'-P energy: -106.215 bonds (distance) P-C4' energy: -98.934 flat angles C4'-P-C4' energy: -102.043 flat angles P-C4'-P energy: -64.753 tors. eta vs tors. theta energy: -47.097 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: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1018.080915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.080915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.080915 (E_RNA) where: Base-Base interactions energy: -569.054 where: short stacking energy: -282.834 Base-Backbone interact. energy: -1.993 local terms energy: -447.033716 where: bonds (distance) C4'-P energy: -104.603 bonds (distance) P-C4' energy: -119.209 flat angles C4'-P-C4' energy: -111.261 flat angles P-C4'-P energy: -64.350 tors. eta vs tors. theta energy: -47.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -620.980955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.980955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.980955 (E_RNA) where: Base-Base interactions energy: -308.250 where: short stacking energy: -164.150 Base-Backbone interact. energy: 0.910 local terms energy: -313.641068 where: bonds (distance) C4'-P energy: -69.923 bonds (distance) P-C4' energy: -101.118 flat angles C4'-P-C4' energy: -86.349 flat angles P-C4'-P energy: -52.228 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -525.261805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.261805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.261805 (E_RNA) where: Base-Base interactions energy: -212.720 where: short stacking energy: -160.868 Base-Backbone interact. energy: 1.971 local terms energy: -314.512204 where: bonds (distance) C4'-P energy: -79.196 bonds (distance) P-C4' energy: -110.469 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -8.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2040.352432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.352432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.352432 (E_RNA) where: Base-Base interactions energy: -1416.694 where: short stacking energy: -624.409 Base-Backbone interact. energy: -1.928 local terms energy: -621.730259 where: bonds (distance) C4'-P energy: -116.265 bonds (distance) P-C4' energy: -96.764 flat angles C4'-P-C4' energy: -139.931 flat angles P-C4'-P energy: -84.560 tors. eta vs tors. theta energy: -184.210 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: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1937.038886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.038886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.038886 (E_RNA) where: Base-Base interactions energy: -1324.039 where: short stacking energy: -585.357 Base-Backbone interact. energy: -1.975 local terms energy: -611.024802 where: bonds (distance) C4'-P energy: -123.294 bonds (distance) P-C4' energy: -110.948 flat angles C4'-P-C4' energy: -127.261 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -171.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1803.078884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.078884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.078884 (E_RNA) where: Base-Base interactions energy: -1223.365 where: short stacking energy: -522.337 Base-Backbone interact. energy: -4.164 local terms energy: -575.550026 where: bonds (distance) C4'-P energy: -103.123 bonds (distance) P-C4' energy: -100.324 flat angles C4'-P-C4' energy: -128.172 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: -159.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1743.976154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.976154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.976154 (E_RNA) where: Base-Base interactions energy: -1172.225 where: short stacking energy: -501.246 Base-Backbone interact. energy: -1.485 local terms energy: -570.266127 where: bonds (distance) C4'-P energy: -110.065 bonds (distance) P-C4' energy: -115.132 flat angles C4'-P-C4' energy: -120.305 flat angles P-C4'-P energy: -81.423 tors. eta vs tors. theta energy: -143.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1615.293321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.293321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.293321 (E_RNA) where: Base-Base interactions energy: -1098.789 where: short stacking energy: -475.416 Base-Backbone interact. energy: -2.186 local terms energy: -514.317908 where: bonds (distance) C4'-P energy: -98.325 bonds (distance) P-C4' energy: -108.441 flat angles C4'-P-C4' energy: -107.179 flat angles P-C4'-P energy: -68.169 tors. eta vs tors. theta energy: -132.204 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: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1446.287132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.287132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.287132 (E_RNA) where: Base-Base interactions energy: -979.318 where: short stacking energy: -438.211 Base-Backbone interact. energy: -2.207 local terms energy: -464.762560 where: bonds (distance) C4'-P energy: -98.182 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -105.650 flat angles P-C4'-P energy: -66.015 tors. eta vs tors. theta energy: -101.578 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: 292 Temperature: 1.200000 Total energy: -1136.357814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.357814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.357814 (E_RNA) where: Base-Base interactions energy: -684.708 where: short stacking energy: -331.495 Base-Backbone interact. energy: 1.038 local terms energy: -452.687860 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -108.986 flat angles C4'-P-C4' energy: -110.930 flat angles P-C4'-P energy: -54.630 tors. eta vs tors. theta energy: -81.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1096.051681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.051681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.051681 (E_RNA) where: Base-Base interactions energy: -695.821 where: short stacking energy: -329.850 Base-Backbone interact. energy: 0.148 local terms energy: -400.378523 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -92.746 flat angles C4'-P-C4' energy: -102.257 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -76.169 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: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -626.589346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.589346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.589346 (E_RNA) where: Base-Base interactions energy: -300.541 where: short stacking energy: -191.860 Base-Backbone interact. energy: -0.319 local terms energy: -325.728489 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -83.444 flat angles P-C4'-P energy: -56.458 tors. eta vs tors. theta energy: -4.826 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: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -546.584258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.584258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.584258 (E_RNA) where: Base-Base interactions energy: -243.149 where: short stacking energy: -158.667 Base-Backbone interact. energy: -0.464 local terms energy: -302.971418 where: bonds (distance) C4'-P energy: -107.824 bonds (distance) P-C4' energy: -83.233 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -36.645 tors. eta vs tors. theta energy: 3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2045.303004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.303004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.303004 (E_RNA) where: Base-Base interactions energy: -1407.121 where: short stacking energy: -609.006 Base-Backbone interact. energy: -1.885 local terms energy: -636.296869 where: bonds (distance) C4'-P energy: -117.899 bonds (distance) P-C4' energy: -118.373 flat angles C4'-P-C4' energy: -134.525 flat angles P-C4'-P energy: -90.823 tors. eta vs tors. theta energy: -174.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1977.917241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.917241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.917241 (E_RNA) where: Base-Base interactions energy: -1352.843 where: short stacking energy: -594.785 Base-Backbone interact. energy: -1.089 local terms energy: -623.985026 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -120.873 flat angles C4'-P-C4' energy: -124.016 flat angles P-C4'-P energy: -92.770 tors. eta vs tors. theta energy: -177.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1800.029785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.029785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.029785 (E_RNA) where: Base-Base interactions energy: -1229.929 where: short stacking energy: -523.793 Base-Backbone interact. energy: -3.403 local terms energy: -566.697800 where: bonds (distance) C4'-P energy: -100.498 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -108.829 flat angles P-C4'-P energy: -89.098 tors. eta vs tors. theta energy: -157.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1737.636141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.636141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.636141 (E_RNA) where: Base-Base interactions energy: -1190.194 where: short stacking energy: -504.384 Base-Backbone interact. energy: 1.488 local terms energy: -548.930442 where: bonds (distance) C4'-P energy: -97.600 bonds (distance) P-C4' energy: -122.595 flat angles C4'-P-C4' energy: -99.357 flat angles P-C4'-P energy: -85.615 tors. eta vs tors. theta energy: -143.762 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: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1587.398705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.398705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.398705 (E_RNA) where: Base-Base interactions energy: -1100.594 where: short stacking energy: -476.796 Base-Backbone interact. energy: -2.517 local terms energy: -484.288310 where: bonds (distance) C4'-P energy: -78.473 bonds (distance) P-C4' energy: -112.389 flat angles C4'-P-C4' energy: -102.536 flat angles P-C4'-P energy: -66.627 tors. eta vs tors. theta energy: -124.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1428.036200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.036200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.036200 (E_RNA) where: Base-Base interactions energy: -958.718 where: short stacking energy: -402.300 Base-Backbone interact. energy: -3.773 local terms energy: -465.545424 where: bonds (distance) C4'-P energy: -103.311 bonds (distance) P-C4' energy: -97.963 flat angles C4'-P-C4' energy: -102.605 flat angles P-C4'-P energy: -49.210 tors. eta vs tors. theta energy: -112.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1125.598030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.598030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.598030 (E_RNA) where: Base-Base interactions energy: -686.900 where: short stacking energy: -318.554 Base-Backbone interact. energy: 1.351 local terms energy: -440.048963 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -95.467 flat angles C4'-P-C4' energy: -110.386 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -68.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1064.897896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.897896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.897896 (E_RNA) where: Base-Base interactions energy: -666.935 where: short stacking energy: -305.605 Base-Backbone interact. energy: 2.339 local terms energy: -400.302272 where: bonds (distance) C4'-P energy: -107.347 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -50.856 tors. eta vs tors. theta energy: -46.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -607.698814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.698814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.698814 (E_RNA) where: Base-Base interactions energy: -281.144 where: short stacking energy: -180.749 Base-Backbone interact. energy: 0.206 local terms energy: -326.760560 where: bonds (distance) C4'-P energy: -99.094 bonds (distance) P-C4' energy: -87.259 flat angles C4'-P-C4' energy: -90.160 flat angles P-C4'-P energy: -41.939 tors. eta vs tors. theta energy: -8.309 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: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -497.025028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.025028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.025028 (E_RNA) where: Base-Base interactions energy: -203.400 where: short stacking energy: -137.218 Base-Backbone interact. energy: 2.121 local terms energy: -295.745853 where: bonds (distance) C4'-P energy: -92.369 bonds (distance) P-C4' energy: -102.135 flat angles C4'-P-C4' energy: -88.675 flat angles P-C4'-P energy: -35.072 tors. eta vs tors. theta energy: 22.505 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: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2035.900420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.900420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.900420 (E_RNA) where: Base-Base interactions energy: -1383.615 where: short stacking energy: -616.682 Base-Backbone interact. energy: -3.245 local terms energy: -649.040531 where: bonds (distance) C4'-P energy: -121.261 bonds (distance) P-C4' energy: -123.679 flat angles C4'-P-C4' energy: -134.013 flat angles P-C4'-P energy: -90.083 tors. eta vs tors. theta energy: -180.004 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: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1938.771804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.771804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.771804 (E_RNA) where: Base-Base interactions energy: -1317.889 where: short stacking energy: -563.010 Base-Backbone interact. energy: -2.934 local terms energy: -617.948433 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -124.636 flat angles C4'-P-C4' energy: -138.044 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: -176.693 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: 294 Temperature: 1.000000 Total energy: -1821.357936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.357936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.357936 (E_RNA) where: Base-Base interactions energy: -1200.479 where: short stacking energy: -526.856 Base-Backbone interact. energy: -3.007 local terms energy: -617.871601 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -119.990 flat angles C4'-P-C4' energy: -131.980 flat angles P-C4'-P energy: -87.628 tors. eta vs tors. theta energy: -158.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1694.830326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.830326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.830326 (E_RNA) where: Base-Base interactions energy: -1151.243 where: short stacking energy: -468.951 Base-Backbone interact. energy: -1.925 local terms energy: -541.662290 where: bonds (distance) C4'-P energy: -105.898 bonds (distance) P-C4' energy: -105.028 flat angles C4'-P-C4' energy: -128.873 flat angles P-C4'-P energy: -65.166 tors. eta vs tors. theta energy: -136.697 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: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1599.086488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.086488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.086488 (E_RNA) where: Base-Base interactions energy: -1067.540 where: short stacking energy: -443.897 Base-Backbone interact. energy: 1.007 local terms energy: -532.553304 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -96.285 flat angles C4'-P-C4' energy: -119.420 flat angles P-C4'-P energy: -84.757 tors. eta vs tors. theta energy: -118.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1449.014683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.014683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.014683 (E_RNA) where: Base-Base interactions energy: -952.786 where: short stacking energy: -446.300 Base-Backbone interact. energy: -3.901 local terms energy: -492.327811 where: bonds (distance) C4'-P energy: -89.018 bonds (distance) P-C4' energy: -106.888 flat angles C4'-P-C4' energy: -116.330 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: -115.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1231.753330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.753330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.753330 (E_RNA) where: Base-Base interactions energy: -770.572 where: short stacking energy: -352.230 Base-Backbone interact. energy: -2.663 local terms energy: -458.517908 where: bonds (distance) C4'-P energy: -83.471 bonds (distance) P-C4' energy: -105.453 flat angles C4'-P-C4' energy: -127.422 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -74.784 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: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1061.947911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.947911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.947911 (E_RNA) where: Base-Base interactions energy: -643.168 where: short stacking energy: -325.909 Base-Backbone interact. energy: 2.589 local terms energy: -421.368524 where: bonds (distance) C4'-P energy: -90.014 bonds (distance) P-C4' energy: -100.600 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -67.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -701.559381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.559381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.559381 (E_RNA) where: Base-Base interactions energy: -359.894 where: short stacking energy: -193.056 Base-Backbone interact. energy: -0.899 local terms energy: -340.766828 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -101.663 flat angles C4'-P-C4' energy: -80.286 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -9.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -526.003798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.003798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.003798 (E_RNA) where: Base-Base interactions energy: -235.937 where: short stacking energy: -152.893 Base-Backbone interact. energy: -0.758 local terms energy: -289.308745 where: bonds (distance) C4'-P energy: -88.820 bonds (distance) P-C4' energy: -89.652 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: 16.785 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: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2045.997993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.997993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.997993 (E_RNA) where: Base-Base interactions energy: -1412.520 where: short stacking energy: -622.438 Base-Backbone interact. energy: 0.715 local terms energy: -634.193266 where: bonds (distance) C4'-P energy: -112.746 bonds (distance) P-C4' energy: -122.251 flat angles C4'-P-C4' energy: -131.858 flat angles P-C4'-P energy: -88.894 tors. eta vs tors. theta energy: -178.445 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: 2, replica: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1961.527769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.527769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.527769 (E_RNA) where: Base-Base interactions energy: -1347.885 where: short stacking energy: -590.798 Base-Backbone interact. energy: -1.171 local terms energy: -612.471897 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -124.399 flat angles C4'-P-C4' energy: -122.999 flat angles P-C4'-P energy: -75.518 tors. eta vs tors. theta energy: -173.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1812.653962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.653962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.653962 (E_RNA) where: Base-Base interactions energy: -1214.335 where: short stacking energy: -543.422 Base-Backbone interact. energy: -0.315 local terms energy: -598.003351 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -109.075 flat angles C4'-P-C4' energy: -126.704 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -164.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1724.979976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.979976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.979976 (E_RNA) where: Base-Base interactions energy: -1176.284 where: short stacking energy: -502.786 Base-Backbone interact. energy: -1.325 local terms energy: -547.370492 where: bonds (distance) C4'-P energy: -104.123 bonds (distance) P-C4' energy: -102.538 flat angles C4'-P-C4' energy: -135.459 flat angles P-C4'-P energy: -69.481 tors. eta vs tors. theta energy: -135.770 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: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1636.886955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.886955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.886955 (E_RNA) where: Base-Base interactions energy: -1100.080 where: short stacking energy: -472.475 Base-Backbone interact. energy: -1.045 local terms energy: -535.762748 where: bonds (distance) C4'-P energy: -101.309 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -120.958 flat angles P-C4'-P energy: -77.070 tors. eta vs tors. theta energy: -124.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1443.029471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.029471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.029471 (E_RNA) where: Base-Base interactions energy: -937.315 where: short stacking energy: -429.391 Base-Backbone interact. energy: -1.103 local terms energy: -504.611433 where: bonds (distance) C4'-P energy: -83.269 bonds (distance) P-C4' energy: -113.518 flat angles C4'-P-C4' energy: -111.366 flat angles P-C4'-P energy: -72.819 tors. eta vs tors. theta energy: -123.640 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: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1227.166641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.166641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.166641 (E_RNA) where: Base-Base interactions energy: -771.715 where: short stacking energy: -366.167 Base-Backbone interact. energy: -1.935 local terms energy: -453.517098 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -92.391 flat angles C4'-P-C4' energy: -105.908 flat angles P-C4'-P energy: -63.863 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: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -962.645958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.645958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.645958 (E_RNA) where: Base-Base interactions energy: -576.788 where: short stacking energy: -287.439 Base-Backbone interact. energy: -3.508 local terms energy: -382.349915 where: bonds (distance) C4'-P energy: -92.593 bonds (distance) P-C4' energy: -97.064 flat angles C4'-P-C4' energy: -85.143 flat angles P-C4'-P energy: -51.495 tors. eta vs tors. theta energy: -56.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -725.588163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.588163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.588163 (E_RNA) where: Base-Base interactions energy: -369.088 where: short stacking energy: -204.542 Base-Backbone interact. energy: -2.209 local terms energy: -354.291739 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -109.354 flat angles C4'-P-C4' energy: -88.609 flat angles P-C4'-P energy: -60.910 tors. eta vs tors. theta energy: -15.040 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: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -527.174808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.174808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.174808 (E_RNA) where: Base-Base interactions energy: -217.716 where: short stacking energy: -151.352 Base-Backbone interact. energy: -0.588 local terms energy: -308.870945 where: bonds (distance) C4'-P energy: -99.065 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -73.016 flat angles P-C4'-P energy: -33.427 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: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2056.556849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.556849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.556849 (E_RNA) where: Base-Base interactions energy: -1413.675 where: short stacking energy: -607.608 Base-Backbone interact. energy: -4.284 local terms energy: -638.598106 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -116.918 flat angles C4'-P-C4' energy: -125.233 flat angles P-C4'-P energy: -94.280 tors. eta vs tors. theta energy: -177.818 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: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1960.618396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.618396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.618396 (E_RNA) where: Base-Base interactions energy: -1329.030 where: short stacking energy: -588.630 Base-Backbone interact. energy: -2.554 local terms energy: -629.034939 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -111.475 flat angles C4'-P-C4' energy: -131.924 flat angles P-C4'-P energy: -93.268 tors. eta vs tors. theta energy: -175.208 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: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1859.423701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.423701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.423701 (E_RNA) where: Base-Base interactions energy: -1227.120 where: short stacking energy: -555.176 Base-Backbone interact. energy: -3.695 local terms energy: -628.608664 where: bonds (distance) C4'-P energy: -119.940 bonds (distance) P-C4' energy: -116.227 flat angles C4'-P-C4' energy: -136.275 flat angles P-C4'-P energy: -86.632 tors. eta vs tors. theta energy: -169.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1766.200189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.200189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.200189 (E_RNA) where: Base-Base interactions energy: -1202.390 where: short stacking energy: -523.287 Base-Backbone interact. energy: 0.789 local terms energy: -564.598874 where: bonds (distance) C4'-P energy: -111.634 bonds (distance) P-C4' energy: -98.059 flat angles C4'-P-C4' energy: -123.395 flat angles P-C4'-P energy: -79.920 tors. eta vs tors. theta energy: -151.590 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: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1622.716411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.716411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.716411 (E_RNA) where: Base-Base interactions energy: -1105.360 where: short stacking energy: -453.606 Base-Backbone interact. energy: 0.846 local terms energy: -518.202107 where: bonds (distance) C4'-P energy: -97.901 bonds (distance) P-C4' energy: -106.354 flat angles C4'-P-C4' energy: -108.645 flat angles P-C4'-P energy: -77.407 tors. eta vs tors. theta energy: -127.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1427.091681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.091681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.091681 (E_RNA) where: Base-Base interactions energy: -932.112 where: short stacking energy: -404.906 Base-Backbone interact. energy: -2.454 local terms energy: -492.524970 where: bonds (distance) C4'-P energy: -106.462 bonds (distance) P-C4' energy: -104.566 flat angles C4'-P-C4' energy: -112.799 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: -103.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1243.338779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.338779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.338779 (E_RNA) where: Base-Base interactions energy: -795.890 where: short stacking energy: -357.724 Base-Backbone interact. energy: 2.136 local terms energy: -449.585582 where: bonds (distance) C4'-P energy: -99.203 bonds (distance) P-C4' energy: -115.165 flat angles C4'-P-C4' energy: -94.039 flat angles P-C4'-P energy: -55.549 tors. eta vs tors. theta energy: -85.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -999.518564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.518564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.518564 (E_RNA) where: Base-Base interactions energy: -607.039 where: short stacking energy: -292.484 Base-Backbone interact. energy: 0.929 local terms energy: -393.407963 where: bonds (distance) C4'-P energy: -104.345 bonds (distance) P-C4' energy: -91.511 flat angles C4'-P-C4' energy: -97.717 flat angles P-C4'-P energy: -40.793 tors. eta vs tors. theta energy: -59.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -705.704466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.704466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.704466 (E_RNA) where: Base-Base interactions energy: -353.552 where: short stacking energy: -206.320 Base-Backbone interact. energy: 0.304 local terms energy: -352.456517 where: bonds (distance) C4'-P energy: -93.888 bonds (distance) P-C4' energy: -83.084 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -30.269 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: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -464.789066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.789066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.789066 (E_RNA) where: Base-Base interactions energy: -173.462 where: short stacking energy: -138.466 Base-Backbone interact. energy: 0.824 local terms energy: -292.151366 where: bonds (distance) C4'-P energy: -94.148 bonds (distance) P-C4' energy: -89.579 flat angles C4'-P-C4' energy: -89.259 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: 16.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2051.764379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.764379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.764379 (E_RNA) where: Base-Base interactions energy: -1433.339 where: short stacking energy: -615.263 Base-Backbone interact. energy: -2.993 local terms energy: -615.432286 where: bonds (distance) C4'-P energy: -117.851 bonds (distance) P-C4' energy: -108.531 flat angles C4'-P-C4' energy: -140.676 flat angles P-C4'-P energy: -71.666 tors. eta vs tors. theta energy: -176.708 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: 297 Temperature: 0.950000 Total energy: -1992.162772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.162772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.162772 (E_RNA) where: Base-Base interactions energy: -1345.715 where: short stacking energy: -609.460 Base-Backbone interact. energy: -4.300 local terms energy: -642.148026 where: bonds (distance) C4'-P energy: -114.063 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -144.255 flat angles P-C4'-P energy: -82.796 tors. eta vs tors. theta energy: -181.653 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: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1807.334735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.334735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.334735 (E_RNA) where: Base-Base interactions energy: -1198.303 where: short stacking energy: -533.372 Base-Backbone interact. energy: -2.339 local terms energy: -606.692931 where: bonds (distance) C4'-P energy: -116.889 bonds (distance) P-C4' energy: -116.838 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -165.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1715.798814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.798814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.798814 (E_RNA) where: Base-Base interactions energy: -1164.376 where: short stacking energy: -505.550 Base-Backbone interact. energy: 0.917 local terms energy: -552.339504 where: bonds (distance) C4'-P energy: -101.611 bonds (distance) P-C4' energy: -113.829 flat angles C4'-P-C4' energy: -118.754 flat angles P-C4'-P energy: -73.731 tors. eta vs tors. theta energy: -144.414 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: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1633.147736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.147736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.147736 (E_RNA) where: Base-Base interactions energy: -1107.773 where: short stacking energy: -491.903 Base-Backbone interact. energy: -2.415 local terms energy: -522.959708 where: bonds (distance) C4'-P energy: -87.850 bonds (distance) P-C4' energy: -94.657 flat angles C4'-P-C4' energy: -128.254 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -140.266 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: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1411.589280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.589280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.589280 (E_RNA) where: Base-Base interactions energy: -937.662 where: short stacking energy: -410.718 Base-Backbone interact. energy: -1.321 local terms energy: -472.606296 where: bonds (distance) C4'-P energy: -97.377 bonds (distance) P-C4' energy: -92.822 flat angles C4'-P-C4' energy: -101.756 flat angles P-C4'-P energy: -71.120 tors. eta vs tors. theta energy: -109.532 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: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1247.495325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.495325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.495325 (E_RNA) where: Base-Base interactions energy: -798.858 where: short stacking energy: -377.311 Base-Backbone interact. energy: 4.534 local terms energy: -453.171623 where: bonds (distance) C4'-P energy: -94.247 bonds (distance) P-C4' energy: -98.792 flat angles C4'-P-C4' energy: -95.862 flat angles P-C4'-P energy: -69.137 tors. eta vs tors. theta energy: -95.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1060.679475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.679475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.679475 (E_RNA) where: Base-Base interactions energy: -635.437 where: short stacking energy: -322.151 Base-Backbone interact. energy: 0.637 local terms energy: -425.879046 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -88.566 flat angles C4'-P-C4' energy: -99.542 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -72.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -679.353250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.353250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.353250 (E_RNA) where: Base-Base interactions energy: -344.239 where: short stacking energy: -198.960 Base-Backbone interact. energy: 1.454 local terms energy: -336.568187 where: bonds (distance) C4'-P energy: -97.481 bonds (distance) P-C4' energy: -102.277 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -58.055 tors. eta vs tors. theta energy: -9.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -451.246063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.246063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.246063 (E_RNA) where: Base-Base interactions energy: -176.100 where: short stacking energy: -138.979 Base-Backbone interact. energy: 0.826 local terms energy: -275.971474 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -87.276 flat angles C4'-P-C4' energy: -79.181 flat angles P-C4'-P energy: -54.839 tors. eta vs tors. theta energy: 17.727 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: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2052.667841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.667841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.667841 (E_RNA) where: Base-Base interactions energy: -1406.358 where: short stacking energy: -603.523 Base-Backbone interact. energy: -0.282 local terms energy: -646.027593 where: bonds (distance) C4'-P energy: -109.753 bonds (distance) P-C4' energy: -127.573 flat angles C4'-P-C4' energy: -139.695 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -177.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1996.316709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.316709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.316709 (E_RNA) where: Base-Base interactions energy: -1382.471 where: short stacking energy: -614.153 Base-Backbone interact. energy: -1.772 local terms energy: -612.073371 where: bonds (distance) C4'-P energy: -112.293 bonds (distance) P-C4' energy: -103.117 flat angles C4'-P-C4' energy: -135.530 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -172.866 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: 298 Temperature: 1.000000 Total energy: -1820.032857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.032857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.032857 (E_RNA) where: Base-Base interactions energy: -1221.848 where: short stacking energy: -564.904 Base-Backbone interact. energy: -3.335 local terms energy: -594.849662 where: bonds (distance) C4'-P energy: -106.833 bonds (distance) P-C4' energy: -101.796 flat angles C4'-P-C4' energy: -135.459 flat angles P-C4'-P energy: -83.609 tors. eta vs tors. theta energy: -167.152 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: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1720.167961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.167961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.167961 (E_RNA) where: Base-Base interactions energy: -1175.653 where: short stacking energy: -506.867 Base-Backbone interact. energy: -1.341 local terms energy: -543.174011 where: bonds (distance) C4'-P energy: -97.485 bonds (distance) P-C4' energy: -105.568 flat angles C4'-P-C4' energy: -116.137 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -144.309 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: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1454.433287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.433287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.433287 (E_RNA) where: Base-Base interactions energy: -974.791 where: short stacking energy: -414.705 Base-Backbone interact. energy: -1.667 local terms energy: -477.975611 where: bonds (distance) C4'-P energy: -100.256 bonds (distance) P-C4' energy: -92.318 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -72.681 tors. eta vs tors. theta energy: -103.152 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: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1600.683412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.683412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.683412 (E_RNA) where: Base-Base interactions energy: -1077.064 where: short stacking energy: -450.012 Base-Backbone interact. energy: -1.564 local terms energy: -522.055656 where: bonds (distance) C4'-P energy: -88.720 bonds (distance) P-C4' energy: -95.409 flat angles C4'-P-C4' energy: -125.516 flat angles P-C4'-P energy: -84.990 tors. eta vs tors. theta energy: -127.420 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: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1188.524976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.524976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.524976 (E_RNA) where: Base-Base interactions energy: -760.397 where: short stacking energy: -354.250 Base-Backbone interact. energy: -0.549 local terms energy: -427.579779 where: bonds (distance) C4'-P energy: -105.066 bonds (distance) P-C4' energy: -98.609 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -65.029 tors. eta vs tors. theta energy: -74.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1039.400275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.400275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.400275 (E_RNA) where: Base-Base interactions energy: -629.650 where: short stacking energy: -324.173 Base-Backbone interact. energy: 1.499 local terms energy: -411.249288 where: bonds (distance) C4'-P energy: -92.928 bonds (distance) P-C4' energy: -100.637 flat angles C4'-P-C4' energy: -91.461 flat angles P-C4'-P energy: -67.621 tors. eta vs tors. theta energy: -58.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -713.554162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.554162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.554162 (E_RNA) where: Base-Base interactions energy: -377.359 where: short stacking energy: -228.312 Base-Backbone interact. energy: -2.664 local terms energy: -333.531853 where: bonds (distance) C4'-P energy: -75.278 bonds (distance) P-C4' energy: -76.697 flat angles C4'-P-C4' energy: -91.915 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -31.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -497.251736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.251736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.251736 (E_RNA) where: Base-Base interactions energy: -198.546 where: short stacking energy: -149.197 Base-Backbone interact. energy: 5.493 local terms energy: -304.198792 where: bonds (distance) C4'-P energy: -94.128 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -51.622 tors. eta vs tors. theta energy: 6.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2009.952620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.952620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.952620 (E_RNA) where: Base-Base interactions energy: -1362.287 where: short stacking energy: -612.682 Base-Backbone interact. energy: -2.426 local terms energy: -645.239860 where: bonds (distance) C4'-P energy: -116.191 bonds (distance) P-C4' energy: -120.103 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -180.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1974.871242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.871242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.871242 (E_RNA) where: Base-Base interactions energy: -1371.056 where: short stacking energy: -603.193 Base-Backbone interact. energy: -2.900 local terms energy: -600.915040 where: bonds (distance) C4'-P energy: -104.095 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -118.219 flat angles P-C4'-P energy: -80.029 tors. eta vs tors. theta energy: -181.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1821.405533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.405533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.405533 (E_RNA) where: Base-Base interactions energy: -1260.457 where: short stacking energy: -562.991 Base-Backbone interact. energy: -1.588 local terms energy: -559.360548 where: bonds (distance) C4'-P energy: -104.883 bonds (distance) P-C4' energy: -89.457 flat angles C4'-P-C4' energy: -125.077 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -173.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1752.814493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.814493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.814493 (E_RNA) where: Base-Base interactions energy: -1177.373 where: short stacking energy: -506.501 Base-Backbone interact. energy: -0.934 local terms energy: -574.506692 where: bonds (distance) C4'-P energy: -113.410 bonds (distance) P-C4' energy: -111.147 flat angles C4'-P-C4' energy: -129.662 flat angles P-C4'-P energy: -69.914 tors. eta vs tors. theta energy: -150.374 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: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1490.286647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.286647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.286647 (E_RNA) where: Base-Base interactions energy: -986.804 where: short stacking energy: -455.771 Base-Backbone interact. energy: 2.167 local terms energy: -505.649970 where: bonds (distance) C4'-P energy: -97.688 bonds (distance) P-C4' energy: -108.767 flat angles C4'-P-C4' energy: -109.879 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -120.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1593.246563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.246563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.246563 (E_RNA) where: Base-Base interactions energy: -1105.144 where: short stacking energy: -507.274 Base-Backbone interact. energy: -1.784 local terms energy: -486.319244 where: bonds (distance) C4'-P energy: -93.850 bonds (distance) P-C4' energy: -89.035 flat angles C4'-P-C4' energy: -104.110 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -138.032 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: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1245.958987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.958987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.958987 (E_RNA) where: Base-Base interactions energy: -801.939 where: short stacking energy: -373.076 Base-Backbone interact. energy: -1.571 local terms energy: -442.449631 where: bonds (distance) C4'-P energy: -88.335 bonds (distance) P-C4' energy: -89.197 flat angles C4'-P-C4' energy: -118.071 flat angles P-C4'-P energy: -61.122 tors. eta vs tors. theta energy: -85.725 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: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1080.476489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.476489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.476489 (E_RNA) where: Base-Base interactions energy: -661.609 where: short stacking energy: -291.088 Base-Backbone interact. energy: -2.317 local terms energy: -416.550264 where: bonds (distance) C4'-P energy: -101.354 bonds (distance) P-C4' energy: -107.760 flat angles C4'-P-C4' energy: -90.593 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -51.124 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: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -723.129813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.129813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.129813 (E_RNA) where: Base-Base interactions energy: -380.243 where: short stacking energy: -222.983 Base-Backbone interact. energy: 2.736 local terms energy: -345.623064 where: bonds (distance) C4'-P energy: -101.115 bonds (distance) P-C4' energy: -104.092 flat angles C4'-P-C4' energy: -76.159 flat angles P-C4'-P energy: -54.712 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -514.382176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.382176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.382176 (E_RNA) where: Base-Base interactions energy: -197.743 where: short stacking energy: -137.437 Base-Backbone interact. energy: -0.330 local terms energy: -316.309705 where: bonds (distance) C4'-P energy: -95.989 bonds (distance) P-C4' energy: -97.218 flat angles C4'-P-C4' energy: -95.957 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: 25.965 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: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2007.093337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.093337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.093337 (E_RNA) where: Base-Base interactions energy: -1370.018 where: short stacking energy: -604.797 Base-Backbone interact. energy: -1.020 local terms energy: -636.055473 where: bonds (distance) C4'-P energy: -128.714 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -125.248 flat angles P-C4'-P energy: -96.867 tors. eta vs tors. theta energy: -183.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1996.986279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.986279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.986279 (E_RNA) where: Base-Base interactions energy: -1368.845 where: short stacking energy: -594.044 Base-Backbone interact. energy: -0.614 local terms energy: -627.527542 where: bonds (distance) C4'-P energy: -109.166 bonds (distance) P-C4' energy: -128.579 flat angles C4'-P-C4' energy: -128.269 flat angles P-C4'-P energy: -79.561 tors. eta vs tors. theta energy: -181.953 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: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1771.195303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.195303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.195303 (E_RNA) where: Base-Base interactions energy: -1182.098 where: short stacking energy: -513.063 Base-Backbone interact. energy: -0.394 local terms energy: -588.702635 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -123.326 flat angles C4'-P-C4' energy: -110.312 flat angles P-C4'-P energy: -86.344 tors. eta vs tors. theta energy: -151.314 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: 300 Temperature: 1.050000 Total energy: -1738.747301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.747301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.747301 (E_RNA) where: Base-Base interactions energy: -1163.319 where: short stacking energy: -521.746 Base-Backbone interact. energy: -1.248 local terms energy: -574.179949 where: bonds (distance) C4'-P energy: -115.194 bonds (distance) P-C4' energy: -101.026 flat angles C4'-P-C4' energy: -118.853 flat angles P-C4'-P energy: -85.900 tors. eta vs tors. theta energy: -153.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1622.737250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.737250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.737250 (E_RNA) where: Base-Base interactions energy: -1079.425 where: short stacking energy: -459.036 Base-Backbone interact. energy: 0.720 local terms energy: -544.032148 where: bonds (distance) C4'-P energy: -98.572 bonds (distance) P-C4' energy: -130.347 flat angles C4'-P-C4' energy: -110.661 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: -135.870 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: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1399.667195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.667195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.667195 (E_RNA) where: Base-Base interactions energy: -921.407 where: short stacking energy: -391.956 Base-Backbone interact. energy: 0.737 local terms energy: -478.996976 where: bonds (distance) C4'-P energy: -83.234 bonds (distance) P-C4' energy: -118.162 flat angles C4'-P-C4' energy: -107.200 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -101.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1288.659406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.659406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.659406 (E_RNA) where: Base-Base interactions energy: -815.493 where: short stacking energy: -362.855 Base-Backbone interact. energy: -0.020 local terms energy: -473.146773 where: bonds (distance) C4'-P energy: -104.784 bonds (distance) P-C4' energy: -94.840 flat angles C4'-P-C4' energy: -111.407 flat angles P-C4'-P energy: -62.432 tors. eta vs tors. theta energy: -99.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1054.355571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.355571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.355571 (E_RNA) where: Base-Base interactions energy: -617.991 where: short stacking energy: -304.780 Base-Backbone interact. energy: -1.587 local terms energy: -434.778075 where: bonds (distance) C4'-P energy: -101.103 bonds (distance) P-C4' energy: -93.182 flat angles C4'-P-C4' energy: -95.164 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -73.587 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: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -693.682664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.682664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.682664 (E_RNA) where: Base-Base interactions energy: -347.999 where: short stacking energy: -190.648 Base-Backbone interact. energy: 1.004 local terms energy: -346.687849 where: bonds (distance) C4'-P energy: -101.453 bonds (distance) P-C4' energy: -101.630 flat angles C4'-P-C4' energy: -80.981 flat angles P-C4'-P energy: -60.499 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -472.054332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.054332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.054332 (E_RNA) where: Base-Base interactions energy: -195.114 where: short stacking energy: -132.849 Base-Backbone interact. energy: -3.284 local terms energy: -273.656636 where: bonds (distance) C4'-P energy: -94.500 bonds (distance) P-C4' energy: -89.432 flat angles C4'-P-C4' energy: -65.072 flat angles P-C4'-P energy: -41.527 tors. eta vs tors. theta energy: 16.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2021.541732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.541732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.541732 (E_RNA) where: Base-Base interactions energy: -1394.952 where: short stacking energy: -594.523 Base-Backbone interact. energy: -3.420 local terms energy: -623.169687 where: bonds (distance) C4'-P energy: -104.104 bonds (distance) P-C4' energy: -117.747 flat angles C4'-P-C4' energy: -137.864 flat angles P-C4'-P energy: -80.123 tors. eta vs tors. theta energy: -183.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1978.775129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.775129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.775129 (E_RNA) where: Base-Base interactions energy: -1371.836 where: short stacking energy: -603.291 Base-Backbone interact. energy: -0.386 local terms energy: -606.552814 where: bonds (distance) C4'-P energy: -121.975 bonds (distance) P-C4' energy: -108.013 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -74.589 tors. eta vs tors. theta energy: -174.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1805.417131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.417131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.417131 (E_RNA) where: Base-Base interactions energy: -1221.336 where: short stacking energy: -533.280 Base-Backbone interact. energy: -0.421 local terms energy: -583.659305 where: bonds (distance) C4'-P energy: -94.546 bonds (distance) P-C4' energy: -124.086 flat angles C4'-P-C4' energy: -124.029 flat angles P-C4'-P energy: -97.167 tors. eta vs tors. theta energy: -143.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1751.238535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.238535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.238535 (E_RNA) where: Base-Base interactions energy: -1189.646 where: short stacking energy: -517.069 Base-Backbone interact. energy: 1.623 local terms energy: -563.215562 where: bonds (distance) C4'-P energy: -108.018 bonds (distance) P-C4' energy: -106.337 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -77.367 tors. eta vs tors. theta energy: -154.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1660.049580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.049580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.049580 (E_RNA) where: Base-Base interactions energy: -1140.910 where: short stacking energy: -488.632 Base-Backbone interact. energy: 0.410 local terms energy: -519.549449 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -100.495 flat angles C4'-P-C4' energy: -124.978 flat angles P-C4'-P energy: -77.406 tors. eta vs tors. theta energy: -127.772 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: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1480.720939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.720939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.720939 (E_RNA) where: Base-Base interactions energy: -977.172 where: short stacking energy: -429.835 Base-Backbone interact. energy: 0.357 local terms energy: -503.905684 where: bonds (distance) C4'-P energy: -104.454 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -113.803 flat angles P-C4'-P energy: -75.842 tors. eta vs tors. theta energy: -113.075 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: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1260.863893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.863893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.863893 (E_RNA) where: Base-Base interactions energy: -808.342 where: short stacking energy: -350.084 Base-Backbone interact. energy: -1.816 local terms energy: -450.705603 where: bonds (distance) C4'-P energy: -101.603 bonds (distance) P-C4' energy: -106.787 flat angles C4'-P-C4' energy: -95.526 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -86.095 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: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1054.104171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.104171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.104171 (E_RNA) where: Base-Base interactions energy: -663.634 where: short stacking energy: -322.099 Base-Backbone interact. energy: -0.023 local terms energy: -390.447594 where: bonds (distance) C4'-P energy: -86.050 bonds (distance) P-C4' energy: -99.293 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -48.940 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: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -728.925795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.925795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.925795 (E_RNA) where: Base-Base interactions energy: -368.635 where: short stacking energy: -233.528 Base-Backbone interact. energy: 2.578 local terms energy: -362.868728 where: bonds (distance) C4'-P energy: -98.318 bonds (distance) P-C4' energy: -108.534 flat angles C4'-P-C4' energy: -86.020 flat angles P-C4'-P energy: -50.898 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -483.869520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.869520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.869520 (E_RNA) where: Base-Base interactions energy: -161.405 where: short stacking energy: -129.977 Base-Backbone interact. energy: -0.982 local terms energy: -321.482766 where: bonds (distance) C4'-P energy: -90.392 bonds (distance) P-C4' energy: -102.453 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -55.085 tors. eta vs tors. theta energy: 17.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2009.090862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.090862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.090862 (E_RNA) where: Base-Base interactions energy: -1345.902 where: short stacking energy: -595.727 Base-Backbone interact. energy: -3.198 local terms energy: -659.990324 where: bonds (distance) C4'-P energy: -128.814 bonds (distance) P-C4' energy: -116.794 flat angles C4'-P-C4' energy: -145.395 flat angles P-C4'-P energy: -79.006 tors. eta vs tors. theta energy: -189.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2019.150998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.150998 (E_RNA) where: Base-Base interactions energy: -1382.962 where: short stacking energy: -608.378 Base-Backbone interact. energy: -2.141 local terms energy: -634.048581 where: bonds (distance) C4'-P energy: -103.085 bonds (distance) P-C4' energy: -123.835 flat angles C4'-P-C4' energy: -135.994 flat angles P-C4'-P energy: -91.674 tors. eta vs tors. theta energy: -179.461 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: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1776.828325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.828325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.828325 (E_RNA) where: Base-Base interactions energy: -1196.863 where: short stacking energy: -538.371 Base-Backbone interact. energy: -0.564 local terms energy: -579.401738 where: bonds (distance) C4'-P energy: -105.742 bonds (distance) P-C4' energy: -108.056 flat angles C4'-P-C4' energy: -128.297 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -161.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1724.572038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.572038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.572038 (E_RNA) where: Base-Base interactions energy: -1171.840 where: short stacking energy: -535.962 Base-Backbone interact. energy: -2.871 local terms energy: -549.861600 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -107.140 flat angles C4'-P-C4' energy: -112.349 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -157.901 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: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1662.860657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.860657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.860657 (E_RNA) where: Base-Base interactions energy: -1122.487 where: short stacking energy: -500.144 Base-Backbone interact. energy: -2.336 local terms energy: -538.037429 where: bonds (distance) C4'-P energy: -96.846 bonds (distance) P-C4' energy: -109.038 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -62.072 tors. eta vs tors. theta energy: -148.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1455.743814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.743814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.743814 (E_RNA) where: Base-Base interactions energy: -960.792 where: short stacking energy: -420.738 Base-Backbone interact. energy: -1.795 local terms energy: -493.157450 where: bonds (distance) C4'-P energy: -91.748 bonds (distance) P-C4' energy: -107.075 flat angles C4'-P-C4' energy: -106.608 flat angles P-C4'-P energy: -72.215 tors. eta vs tors. theta energy: -115.512 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: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1267.712756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.712756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.712756 (E_RNA) where: Base-Base interactions energy: -784.221 where: short stacking energy: -343.326 Base-Backbone interact. energy: -1.547 local terms energy: -481.945293 where: bonds (distance) C4'-P energy: -119.696 bonds (distance) P-C4' energy: -101.359 flat angles C4'-P-C4' energy: -108.889 flat angles P-C4'-P energy: -69.592 tors. eta vs tors. theta energy: -82.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1081.150367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.150367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.150367 (E_RNA) where: Base-Base interactions energy: -672.504 where: short stacking energy: -302.871 Base-Backbone interact. energy: -0.202 local terms energy: -408.444493 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -98.062 flat angles C4'-P-C4' energy: -97.345 flat angles P-C4'-P energy: -75.980 tors. eta vs tors. theta energy: -56.123 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: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -718.110151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.110151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.110151 (E_RNA) where: Base-Base interactions energy: -343.536 where: short stacking energy: -194.792 Base-Backbone interact. energy: -3.531 local terms energy: -371.043082 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -109.940 flat angles C4'-P-C4' energy: -92.600 flat angles P-C4'-P energy: -69.366 tors. eta vs tors. theta energy: -19.547 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: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -469.091262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.091262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.091262 (E_RNA) where: Base-Base interactions energy: -176.351 where: short stacking energy: -135.542 Base-Backbone interact. energy: 1.719 local terms energy: -294.459718 where: bonds (distance) C4'-P energy: -87.885 bonds (distance) P-C4' energy: -96.622 flat angles C4'-P-C4' energy: -77.708 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: 13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2011.328315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.328315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.328315 (E_RNA) where: Base-Base interactions energy: -1370.866 where: short stacking energy: -613.116 Base-Backbone interact. energy: -2.979 local terms energy: -637.482941 where: bonds (distance) C4'-P energy: -118.343 bonds (distance) P-C4' energy: -111.787 flat angles C4'-P-C4' energy: -130.675 flat angles P-C4'-P energy: -97.190 tors. eta vs tors. theta energy: -179.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1996.808781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.808781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.808781 (E_RNA) where: Base-Base interactions energy: -1351.195 where: short stacking energy: -599.528 Base-Backbone interact. energy: -0.079 local terms energy: -645.535179 where: bonds (distance) C4'-P energy: -114.576 bonds (distance) P-C4' energy: -122.898 flat angles C4'-P-C4' energy: -137.446 flat angles P-C4'-P energy: -87.806 tors. eta vs tors. theta energy: -182.809 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: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1786.820223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.820223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.820223 (E_RNA) where: Base-Base interactions energy: -1202.752 where: short stacking energy: -540.187 Base-Backbone interact. energy: -2.014 local terms energy: -582.054769 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -104.258 flat angles C4'-P-C4' energy: -131.340 flat angles P-C4'-P energy: -87.319 tors. eta vs tors. theta energy: -161.100 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: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1723.782158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.782158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.782158 (E_RNA) where: Base-Base interactions energy: -1152.171 where: short stacking energy: -499.998 Base-Backbone interact. energy: -1.591 local terms energy: -570.020069 where: bonds (distance) C4'-P energy: -111.061 bonds (distance) P-C4' energy: -108.456 flat angles C4'-P-C4' energy: -116.929 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -144.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1704.061883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.061883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.061883 (E_RNA) where: Base-Base interactions energy: -1147.458 where: short stacking energy: -508.900 Base-Backbone interact. energy: -2.147 local terms energy: -554.456540 where: bonds (distance) C4'-P energy: -95.471 bonds (distance) P-C4' energy: -114.516 flat angles C4'-P-C4' energy: -120.374 flat angles P-C4'-P energy: -80.669 tors. eta vs tors. theta energy: -143.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1494.691549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.691549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.691549 (E_RNA) where: Base-Base interactions energy: -1004.517 where: short stacking energy: -432.648 Base-Backbone interact. energy: -2.032 local terms energy: -488.143052 where: bonds (distance) C4'-P energy: -88.301 bonds (distance) P-C4' energy: -115.703 flat angles C4'-P-C4' energy: -111.545 flat angles P-C4'-P energy: -68.021 tors. eta vs tors. theta energy: -104.572 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: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1264.750130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.750130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.750130 (E_RNA) where: Base-Base interactions energy: -792.507 where: short stacking energy: -362.882 Base-Backbone interact. energy: -6.475 local terms energy: -465.768223 where: bonds (distance) C4'-P energy: -79.701 bonds (distance) P-C4' energy: -107.260 flat angles C4'-P-C4' energy: -124.264 flat angles P-C4'-P energy: -66.512 tors. eta vs tors. theta energy: -88.031 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: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1137.021397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.021397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.021397 (E_RNA) where: Base-Base interactions energy: -694.064 where: short stacking energy: -336.266 Base-Backbone interact. energy: 0.874 local terms energy: -443.831437 where: bonds (distance) C4'-P energy: -91.435 bonds (distance) P-C4' energy: -126.732 flat angles C4'-P-C4' energy: -104.050 flat angles P-C4'-P energy: -51.576 tors. eta vs tors. theta energy: -70.038 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: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -689.713816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.713816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.713816 (E_RNA) where: Base-Base interactions energy: -342.155 where: short stacking energy: -186.872 Base-Backbone interact. energy: -2.437 local terms energy: -345.121709 where: bonds (distance) C4'-P energy: -93.284 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -86.827 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: -5.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -445.467562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.467562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.467562 (E_RNA) where: Base-Base interactions energy: -160.691 where: short stacking energy: -134.196 Base-Backbone interact. energy: 4.764 local terms energy: -289.540156 where: bonds (distance) C4'-P energy: -85.791 bonds (distance) P-C4' energy: -100.088 flat angles C4'-P-C4' energy: -77.200 flat angles P-C4'-P energy: -57.587 tors. eta vs tors. theta energy: 31.125 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: 304 Temperature: 0.900000 Total energy: -2038.532734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.532734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.532734 (E_RNA) where: Base-Base interactions energy: -1428.518 where: short stacking energy: -620.895 Base-Backbone interact. energy: -2.034 local terms energy: -607.980841 where: bonds (distance) C4'-P energy: -100.588 bonds (distance) P-C4' energy: -121.751 flat angles C4'-P-C4' energy: -129.252 flat angles P-C4'-P energy: -75.035 tors. eta vs tors. theta energy: -181.355 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: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1984.046411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.046411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.046411 (E_RNA) where: Base-Base interactions energy: -1353.661 where: short stacking energy: -633.940 Base-Backbone interact. energy: -1.497 local terms energy: -628.888324 where: bonds (distance) C4'-P energy: -123.681 bonds (distance) P-C4' energy: -119.281 flat angles C4'-P-C4' energy: -121.129 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -174.940 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: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1807.330308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.330308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.330308 (E_RNA) where: Base-Base interactions energy: -1222.187 where: short stacking energy: -569.878 Base-Backbone interact. energy: -3.248 local terms energy: -581.895454 where: bonds (distance) C4'-P energy: -107.086 bonds (distance) P-C4' energy: -101.450 flat angles C4'-P-C4' energy: -137.935 flat angles P-C4'-P energy: -70.230 tors. eta vs tors. theta energy: -165.194 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: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1743.150320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.150320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.150320 (E_RNA) where: Base-Base interactions energy: -1206.594 where: short stacking energy: -501.338 Base-Backbone interact. energy: -0.945 local terms energy: -535.611108 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -90.016 flat angles C4'-P-C4' energy: -116.409 flat angles P-C4'-P energy: -81.199 tors. eta vs tors. theta energy: -147.486 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: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1675.739882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.739882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.739882 (E_RNA) where: Base-Base interactions energy: -1109.386 where: short stacking energy: -476.506 Base-Backbone interact. energy: 1.696 local terms energy: -568.049853 where: bonds (distance) C4'-P energy: -109.329 bonds (distance) P-C4' energy: -115.909 flat angles C4'-P-C4' energy: -130.067 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -135.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1485.192134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.192134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.192134 (E_RNA) where: Base-Base interactions energy: -986.042 where: short stacking energy: -425.482 Base-Backbone interact. energy: 2.162 local terms energy: -501.311420 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -114.127 flat angles C4'-P-C4' energy: -105.772 flat angles P-C4'-P energy: -75.667 tors. eta vs tors. theta energy: -109.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1267.299758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.299758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.299758 (E_RNA) where: Base-Base interactions energy: -790.723 where: short stacking energy: -359.231 Base-Backbone interact. energy: 3.169 local terms energy: -479.745885 where: bonds (distance) C4'-P energy: -99.836 bonds (distance) P-C4' energy: -101.217 flat angles C4'-P-C4' energy: -113.663 flat angles P-C4'-P energy: -72.290 tors. eta vs tors. theta energy: -92.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1122.872090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.872090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.872090 (E_RNA) where: Base-Base interactions energy: -696.716 where: short stacking energy: -335.071 Base-Backbone interact. energy: -0.022 local terms energy: -426.134330 where: bonds (distance) C4'-P energy: -94.768 bonds (distance) P-C4' energy: -106.359 flat angles C4'-P-C4' energy: -100.954 flat angles P-C4'-P energy: -54.848 tors. eta vs tors. theta energy: -69.206 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: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -690.334817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.334817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.334817 (E_RNA) where: Base-Base interactions energy: -365.271 where: short stacking energy: -199.080 Base-Backbone interact. energy: 10.964 local terms energy: -336.027936 where: bonds (distance) C4'-P energy: -78.393 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -59.469 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -440.817886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.817886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.817886 (E_RNA) where: Base-Base interactions energy: -161.799 where: short stacking energy: -116.593 Base-Backbone interact. energy: 1.327 local terms energy: -280.345663 where: bonds (distance) C4'-P energy: -85.130 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -82.138 flat angles P-C4'-P energy: -54.450 tors. eta vs tors. theta energy: 20.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2031.518479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.518479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.518479 (E_RNA) where: Base-Base interactions energy: -1387.157 where: short stacking energy: -625.571 Base-Backbone interact. energy: -2.712 local terms energy: -641.649411 where: bonds (distance) C4'-P energy: -122.796 bonds (distance) P-C4' energy: -122.465 flat angles C4'-P-C4' energy: -132.841 flat angles P-C4'-P energy: -84.244 tors. eta vs tors. theta energy: -179.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1969.582427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.582427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.582427 (E_RNA) where: Base-Base interactions energy: -1356.468 where: short stacking energy: -593.372 Base-Backbone interact. energy: -0.230 local terms energy: -612.884850 where: bonds (distance) C4'-P energy: -109.245 bonds (distance) P-C4' energy: -116.143 flat angles C4'-P-C4' energy: -124.318 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -179.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1793.614383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.614383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.614383 (E_RNA) where: Base-Base interactions energy: -1195.535 where: short stacking energy: -543.405 Base-Backbone interact. energy: -5.729 local terms energy: -592.350406 where: bonds (distance) C4'-P energy: -101.989 bonds (distance) P-C4' energy: -104.521 flat angles C4'-P-C4' energy: -123.953 flat angles P-C4'-P energy: -89.590 tors. eta vs tors. theta energy: -172.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1697.806901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.806901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.806901 (E_RNA) where: Base-Base interactions energy: -1144.049 where: short stacking energy: -501.455 Base-Backbone interact. energy: -0.501 local terms energy: -553.257187 where: bonds (distance) C4'-P energy: -102.418 bonds (distance) P-C4' energy: -110.043 flat angles C4'-P-C4' energy: -122.413 flat angles P-C4'-P energy: -82.562 tors. eta vs tors. theta energy: -135.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1656.492006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.492006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.492006 (E_RNA) where: Base-Base interactions energy: -1130.348 where: short stacking energy: -488.914 Base-Backbone interact. energy: -0.938 local terms energy: -525.206714 where: bonds (distance) C4'-P energy: -90.808 bonds (distance) P-C4' energy: -94.764 flat angles C4'-P-C4' energy: -118.057 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -138.074 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: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1467.333882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.333882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.333882 (E_RNA) where: Base-Base interactions energy: -981.504 where: short stacking energy: -405.419 Base-Backbone interact. energy: 0.159 local terms energy: -485.989701 where: bonds (distance) C4'-P energy: -83.823 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -104.575 flat angles P-C4'-P energy: -70.468 tors. eta vs tors. theta energy: -122.308 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: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1276.233822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.233822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.233822 (E_RNA) where: Base-Base interactions energy: -792.786 where: short stacking energy: -362.039 Base-Backbone interact. energy: -1.888 local terms energy: -481.559584 where: bonds (distance) C4'-P energy: -105.228 bonds (distance) P-C4' energy: -117.508 flat angles C4'-P-C4' energy: -112.653 flat angles P-C4'-P energy: -66.766 tors. eta vs tors. theta energy: -79.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1125.709487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.709487 (E_RNA) where: Base-Base interactions energy: -685.255 where: short stacking energy: -302.055 Base-Backbone interact. energy: -0.587 local terms energy: -439.867658 where: bonds (distance) C4'-P energy: -106.991 bonds (distance) P-C4' energy: -113.844 flat angles C4'-P-C4' energy: -91.408 flat angles P-C4'-P energy: -67.812 tors. eta vs tors. theta energy: -59.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -756.705586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.705586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.705586 (E_RNA) where: Base-Base interactions energy: -404.535 where: short stacking energy: -225.334 Base-Backbone interact. energy: 0.263 local terms energy: -352.432958 where: bonds (distance) C4'-P energy: -87.314 bonds (distance) P-C4' energy: -91.755 flat angles C4'-P-C4' energy: -82.568 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -38.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -466.655739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.655739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.655739 (E_RNA) where: Base-Base interactions energy: -187.620 where: short stacking energy: -157.153 Base-Backbone interact. energy: 3.950 local terms energy: -282.985212 where: bonds (distance) C4'-P energy: -72.202 bonds (distance) P-C4' energy: -98.789 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: 8.994 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: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2042.264983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.264983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.264983 (E_RNA) where: Base-Base interactions energy: -1407.660 where: short stacking energy: -611.258 Base-Backbone interact. energy: -1.650 local terms energy: -632.955625 where: bonds (distance) C4'-P energy: -118.125 bonds (distance) P-C4' energy: -117.189 flat angles C4'-P-C4' energy: -129.905 flat angles P-C4'-P energy: -91.496 tors. eta vs tors. theta energy: -176.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1985.215374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.215374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.215374 (E_RNA) where: Base-Base interactions energy: -1378.275 where: short stacking energy: -594.799 Base-Backbone interact. energy: -4.087 local terms energy: -602.854166 where: bonds (distance) C4'-P energy: -112.058 bonds (distance) P-C4' energy: -105.406 flat angles C4'-P-C4' energy: -134.760 flat angles P-C4'-P energy: -77.277 tors. eta vs tors. theta energy: -173.354 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: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1786.835725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.835725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.835725 (E_RNA) where: Base-Base interactions energy: -1183.922 where: short stacking energy: -536.007 Base-Backbone interact. energy: 3.053 local terms energy: -605.966587 where: bonds (distance) C4'-P energy: -117.780 bonds (distance) P-C4' energy: -116.971 flat angles C4'-P-C4' energy: -128.108 flat angles P-C4'-P energy: -76.756 tors. eta vs tors. theta energy: -166.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1753.319631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.319631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.319631 (E_RNA) where: Base-Base interactions energy: -1185.363 where: short stacking energy: -528.465 Base-Backbone interact. energy: -1.682 local terms energy: -566.274221 where: bonds (distance) C4'-P energy: -95.872 bonds (distance) P-C4' energy: -115.223 flat angles C4'-P-C4' energy: -119.199 flat angles P-C4'-P energy: -81.837 tors. eta vs tors. theta energy: -154.143 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: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1666.162467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.162467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.162467 (E_RNA) where: Base-Base interactions energy: -1142.812 where: short stacking energy: -501.830 Base-Backbone interact. energy: -1.799 local terms energy: -521.551308 where: bonds (distance) C4'-P energy: -105.888 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -100.109 flat angles P-C4'-P energy: -74.838 tors. eta vs tors. theta energy: -145.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1476.256992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.256992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.256992 (E_RNA) where: Base-Base interactions energy: -999.816 where: short stacking energy: -404.587 Base-Backbone interact. energy: -2.425 local terms energy: -474.015240 where: bonds (distance) C4'-P energy: -89.282 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -109.945 flat angles P-C4'-P energy: -77.923 tors. eta vs tors. theta energy: -112.148 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: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1225.805502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.805502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.805502 (E_RNA) where: Base-Base interactions energy: -753.839 where: short stacking energy: -358.426 Base-Backbone interact. energy: -0.095 local terms energy: -471.871369 where: bonds (distance) C4'-P energy: -103.404 bonds (distance) P-C4' energy: -111.061 flat angles C4'-P-C4' energy: -117.457 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: -77.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1218.014291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.014291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.014291 (E_RNA) where: Base-Base interactions energy: -781.101 where: short stacking energy: -344.488 Base-Backbone interact. energy: -1.933 local terms energy: -434.979960 where: bonds (distance) C4'-P energy: -95.369 bonds (distance) P-C4' energy: -113.337 flat angles C4'-P-C4' energy: -105.156 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -74.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -685.949074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.949074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.949074 (E_RNA) where: Base-Base interactions energy: -362.970 where: short stacking energy: -205.533 Base-Backbone interact. energy: -2.555 local terms energy: -320.423674 where: bonds (distance) C4'-P energy: -91.034 bonds (distance) P-C4' energy: -88.625 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -54.085 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: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -473.341997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.341997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.341997 (E_RNA) where: Base-Base interactions energy: -183.805 where: short stacking energy: -138.419 Base-Backbone interact. energy: 0.261 local terms energy: -289.797264 where: bonds (distance) C4'-P energy: -85.876 bonds (distance) P-C4' energy: -93.200 flat angles C4'-P-C4' energy: -72.825 flat angles P-C4'-P energy: -40.307 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: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2032.718831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.718831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.718831 (E_RNA) where: Base-Base interactions energy: -1404.401 where: short stacking energy: -618.617 Base-Backbone interact. energy: -2.763 local terms energy: -625.555402 where: bonds (distance) C4'-P energy: -100.958 bonds (distance) P-C4' energy: -122.341 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -81.763 tors. eta vs tors. theta energy: -184.521 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: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1974.327447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.327447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.327447 (E_RNA) where: Base-Base interactions energy: -1323.349 where: short stacking energy: -585.664 Base-Backbone interact. energy: -3.057 local terms energy: -647.922098 where: bonds (distance) C4'-P energy: -119.624 bonds (distance) P-C4' energy: -109.265 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -181.581 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: 307 Temperature: 1.000000 Total energy: -1806.743949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.743949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.743949 (E_RNA) where: Base-Base interactions energy: -1240.079 where: short stacking energy: -554.064 Base-Backbone interact. energy: -2.256 local terms energy: -564.409353 where: bonds (distance) C4'-P energy: -100.406 bonds (distance) P-C4' energy: -104.813 flat angles C4'-P-C4' energy: -125.397 flat angles P-C4'-P energy: -80.420 tors. eta vs tors. theta energy: -153.373 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: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1738.277743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.277743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.277743 (E_RNA) where: Base-Base interactions energy: -1136.382 where: short stacking energy: -491.499 Base-Backbone interact. energy: -1.673 local terms energy: -600.222709 where: bonds (distance) C4'-P energy: -117.772 bonds (distance) P-C4' energy: -114.190 flat angles C4'-P-C4' energy: -127.920 flat angles P-C4'-P energy: -87.804 tors. eta vs tors. theta energy: -152.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1630.679753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.679753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.679753 (E_RNA) where: Base-Base interactions energy: -1081.067 where: short stacking energy: -478.486 Base-Backbone interact. energy: -1.898 local terms energy: -547.715003 where: bonds (distance) C4'-P energy: -96.314 bonds (distance) P-C4' energy: -111.469 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -77.193 tors. eta vs tors. theta energy: -136.286 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: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1501.543923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.543923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.543923 (E_RNA) where: Base-Base interactions energy: -1029.929 where: short stacking energy: -445.646 Base-Backbone interact. energy: 0.564 local terms energy: -472.178720 where: bonds (distance) C4'-P energy: -96.686 bonds (distance) P-C4' energy: -110.814 flat angles C4'-P-C4' energy: -109.698 flat angles P-C4'-P energy: -53.201 tors. eta vs tors. theta energy: -101.780 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: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1246.149818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.149818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.149818 (E_RNA) where: Base-Base interactions energy: -808.581 where: short stacking energy: -366.044 Base-Backbone interact. energy: -1.759 local terms energy: -435.810223 where: bonds (distance) C4'-P energy: -90.906 bonds (distance) P-C4' energy: -97.092 flat angles C4'-P-C4' energy: -108.012 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: -85.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1220.098662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.098662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.098662 (E_RNA) where: Base-Base interactions energy: -806.631 where: short stacking energy: -397.408 Base-Backbone interact. energy: 0.247 local terms energy: -413.714074 where: bonds (distance) C4'-P energy: -72.364 bonds (distance) P-C4' energy: -112.718 flat angles C4'-P-C4' energy: -98.996 flat angles P-C4'-P energy: -53.593 tors. eta vs tors. theta energy: -76.043 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: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -733.120476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.120476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.120476 (E_RNA) where: Base-Base interactions energy: -380.241 where: short stacking energy: -200.667 Base-Backbone interact. energy: 6.774 local terms energy: -359.654102 where: bonds (distance) C4'-P energy: -97.918 bonds (distance) P-C4' energy: -108.513 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -57.334 tors. eta vs tors. theta energy: -12.744 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: 10, replica: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -461.447050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.447050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.447050 (E_RNA) where: Base-Base interactions energy: -183.425 where: short stacking energy: -140.683 Base-Backbone interact. energy: -2.798 local terms energy: -275.223677 where: bonds (distance) C4'-P energy: -96.340 bonds (distance) P-C4' energy: -95.023 flat angles C4'-P-C4' energy: -77.136 flat angles P-C4'-P energy: -23.264 tors. eta vs tors. theta energy: 16.539 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: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2022.204397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.204397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.204397 (E_RNA) where: Base-Base interactions energy: -1386.450 where: short stacking energy: -618.953 Base-Backbone interact. energy: -2.335 local terms energy: -633.419269 where: bonds (distance) C4'-P energy: -106.259 bonds (distance) P-C4' energy: -117.959 flat angles C4'-P-C4' energy: -136.678 flat angles P-C4'-P energy: -86.150 tors. eta vs tors. theta energy: -186.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1992.885493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.885493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.885493 (E_RNA) where: Base-Base interactions energy: -1360.856 where: short stacking energy: -605.762 Base-Backbone interact. energy: -1.638 local terms energy: -630.391297 where: bonds (distance) C4'-P energy: -111.016 bonds (distance) P-C4' energy: -108.870 flat angles C4'-P-C4' energy: -138.737 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -183.979 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: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1787.134507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.134507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.134507 (E_RNA) where: Base-Base interactions energy: -1203.939 where: short stacking energy: -529.656 Base-Backbone interact. energy: -2.182 local terms energy: -581.014006 where: bonds (distance) C4'-P energy: -96.751 bonds (distance) P-C4' energy: -112.591 flat angles C4'-P-C4' energy: -130.305 flat angles P-C4'-P energy: -79.472 tors. eta vs tors. theta energy: -161.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1770.704745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.704745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.704745 (E_RNA) where: Base-Base interactions energy: -1204.856 where: short stacking energy: -537.029 Base-Backbone interact. energy: -0.635 local terms energy: -565.214280 where: bonds (distance) C4'-P energy: -96.192 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -128.866 flat angles P-C4'-P energy: -84.280 tors. eta vs tors. theta energy: -154.281 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: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1637.954979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.954979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.954979 (E_RNA) where: Base-Base interactions energy: -1086.200 where: short stacking energy: -472.284 Base-Backbone interact. energy: 2.273 local terms energy: -554.028397 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -111.837 flat angles C4'-P-C4' energy: -117.716 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -144.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1528.993533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.993533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.993533 (E_RNA) where: Base-Base interactions energy: -1022.365 where: short stacking energy: -447.192 Base-Backbone interact. energy: -0.989 local terms energy: -505.639988 where: bonds (distance) C4'-P energy: -103.675 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -96.365 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -112.771 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: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1260.233608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.233608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.233608 (E_RNA) where: Base-Base interactions energy: -800.837 where: short stacking energy: -372.961 Base-Backbone interact. energy: 0.468 local terms energy: -459.864094 where: bonds (distance) C4'-P energy: -100.294 bonds (distance) P-C4' energy: -102.074 flat angles C4'-P-C4' energy: -108.061 flat angles P-C4'-P energy: -63.811 tors. eta vs tors. theta energy: -85.624 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: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1189.112870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.112870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.112870 (E_RNA) where: Base-Base interactions energy: -778.405 where: short stacking energy: -338.076 Base-Backbone interact. energy: -2.867 local terms energy: -407.841440 where: bonds (distance) C4'-P energy: -72.876 bonds (distance) P-C4' energy: -114.491 flat angles C4'-P-C4' energy: -95.715 flat angles P-C4'-P energy: -64.920 tors. eta vs tors. theta energy: -59.840 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: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -779.429490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.429490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.429490 (E_RNA) where: Base-Base interactions energy: -429.132 where: short stacking energy: -245.925 Base-Backbone interact. energy: 5.644 local terms energy: -355.941489 where: bonds (distance) C4'-P energy: -93.401 bonds (distance) P-C4' energy: -110.487 flat angles C4'-P-C4' energy: -81.338 flat angles P-C4'-P energy: -44.946 tors. eta vs tors. theta energy: -25.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -448.156064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.156064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.156064 (E_RNA) where: Base-Base interactions energy: -161.040 where: short stacking energy: -132.931 Base-Backbone interact. energy: -4.642 local terms energy: -282.474235 where: bonds (distance) C4'-P energy: -99.885 bonds (distance) P-C4' energy: -84.326 flat angles C4'-P-C4' energy: -86.188 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: 29.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2026.837737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.837737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.837737 (E_RNA) where: Base-Base interactions energy: -1391.924 where: short stacking energy: -614.112 Base-Backbone interact. energy: -0.349 local terms energy: -634.564414 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -115.794 flat angles C4'-P-C4' energy: -131.237 flat angles P-C4'-P energy: -86.249 tors. eta vs tors. theta energy: -181.459 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: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1992.447562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.447562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.447562 (E_RNA) where: Base-Base interactions energy: -1360.492 where: short stacking energy: -601.511 Base-Backbone interact. energy: -2.768 local terms energy: -629.187173 where: bonds (distance) C4'-P energy: -109.393 bonds (distance) P-C4' energy: -108.822 flat angles C4'-P-C4' energy: -139.165 flat angles P-C4'-P energy: -91.692 tors. eta vs tors. theta energy: -180.115 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1805.584461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.584461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.584461 (E_RNA) where: Base-Base interactions energy: -1240.074 where: short stacking energy: -548.295 Base-Backbone interact. energy: -3.222 local terms energy: -562.289213 where: bonds (distance) C4'-P energy: -112.287 bonds (distance) P-C4' energy: -108.814 flat angles C4'-P-C4' energy: -105.649 flat angles P-C4'-P energy: -81.213 tors. eta vs tors. theta energy: -154.327 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: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1776.231724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.231724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.231724 (E_RNA) where: Base-Base interactions energy: -1202.082 where: short stacking energy: -517.041 Base-Backbone interact. energy: -2.314 local terms energy: -571.836618 where: bonds (distance) C4'-P energy: -107.371 bonds (distance) P-C4' energy: -98.202 flat angles C4'-P-C4' energy: -124.538 flat angles P-C4'-P energy: -86.335 tors. eta vs tors. theta energy: -155.390 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: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1584.792114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.792114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.792114 (E_RNA) where: Base-Base interactions energy: -1065.096 where: short stacking energy: -461.296 Base-Backbone interact. energy: -1.335 local terms energy: -518.360861 where: bonds (distance) C4'-P energy: -101.243 bonds (distance) P-C4' energy: -107.283 flat angles C4'-P-C4' energy: -109.286 flat angles P-C4'-P energy: -75.959 tors. eta vs tors. theta energy: -124.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1517.995414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.995414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.995414 (E_RNA) where: Base-Base interactions energy: -1029.884 where: short stacking energy: -448.027 Base-Backbone interact. energy: -1.424 local terms energy: -486.687435 where: bonds (distance) C4'-P energy: -93.650 bonds (distance) P-C4' energy: -102.076 flat angles C4'-P-C4' energy: -105.424 flat angles P-C4'-P energy: -56.384 tors. eta vs tors. theta energy: -129.154 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: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1292.283659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.283659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.283659 (E_RNA) where: Base-Base interactions energy: -827.254 where: short stacking energy: -384.704 Base-Backbone interact. energy: 1.801 local terms energy: -466.830643 where: bonds (distance) C4'-P energy: -84.436 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -101.497 flat angles P-C4'-P energy: -71.885 tors. eta vs tors. theta energy: -99.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1201.243542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.243542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.243542 (E_RNA) where: Base-Base interactions energy: -789.622 where: short stacking energy: -335.005 Base-Backbone interact. energy: 2.816 local terms energy: -414.436623 where: bonds (distance) C4'-P energy: -88.550 bonds (distance) P-C4' energy: -98.201 flat angles C4'-P-C4' energy: -101.172 flat angles P-C4'-P energy: -60.172 tors. eta vs tors. theta energy: -66.342 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: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -706.785283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.785283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.785283 (E_RNA) where: Base-Base interactions energy: -361.901 where: short stacking energy: -207.271 Base-Backbone interact. energy: 9.295 local terms energy: -354.179308 where: bonds (distance) C4'-P energy: -95.592 bonds (distance) P-C4' energy: -89.491 flat angles C4'-P-C4' energy: -91.193 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -24.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -486.066752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.066752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.066752 (E_RNA) where: Base-Base interactions energy: -185.547 where: short stacking energy: -139.855 Base-Backbone interact. energy: 5.377 local terms energy: -305.896994 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -105.875 flat angles C4'-P-C4' energy: -86.983 flat angles P-C4'-P energy: -39.988 tors. eta vs tors. theta energy: 18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2019.800484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.800484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.800484 (E_RNA) where: Base-Base interactions energy: -1384.813 where: short stacking energy: -611.584 Base-Backbone interact. energy: -3.983 local terms energy: -631.004264 where: bonds (distance) C4'-P energy: -125.243 bonds (distance) P-C4' energy: -118.090 flat angles C4'-P-C4' energy: -131.343 flat angles P-C4'-P energy: -74.152 tors. eta vs tors. theta energy: -182.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1997.417169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.417169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.417169 (E_RNA) where: Base-Base interactions energy: -1339.841 where: short stacking energy: -606.423 Base-Backbone interact. energy: -6.619 local terms energy: -650.956955 where: bonds (distance) C4'-P energy: -120.767 bonds (distance) P-C4' energy: -126.879 flat angles C4'-P-C4' energy: -134.053 flat angles P-C4'-P energy: -90.715 tors. eta vs tors. theta energy: -178.542 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1807.785864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.785864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.785864 (E_RNA) where: Base-Base interactions energy: -1233.629 where: short stacking energy: -561.281 Base-Backbone interact. energy: -4.560 local terms energy: -569.596689 where: bonds (distance) C4'-P energy: -106.228 bonds (distance) P-C4' energy: -101.338 flat angles C4'-P-C4' energy: -115.755 flat angles P-C4'-P energy: -73.541 tors. eta vs tors. theta energy: -172.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1778.148357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.148357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.148357 (E_RNA) where: Base-Base interactions energy: -1193.310 where: short stacking energy: -518.550 Base-Backbone interact. energy: -3.492 local terms energy: -581.346388 where: bonds (distance) C4'-P energy: -115.542 bonds (distance) P-C4' energy: -112.204 flat angles C4'-P-C4' energy: -118.039 flat angles P-C4'-P energy: -85.536 tors. eta vs tors. theta energy: -150.025 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: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1627.135104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.135104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.135104 (E_RNA) where: Base-Base interactions energy: -1083.854 where: short stacking energy: -450.295 Base-Backbone interact. energy: 1.590 local terms energy: -544.871078 where: bonds (distance) C4'-P energy: -110.147 bonds (distance) P-C4' energy: -97.438 flat angles C4'-P-C4' energy: -119.108 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -141.367 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: 310 Temperature: 1.150000 Total energy: -1540.396986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.396986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.396986 (E_RNA) where: Base-Base interactions energy: -1032.816 where: short stacking energy: -452.765 Base-Backbone interact. energy: 1.196 local terms energy: -508.777281 where: bonds (distance) C4'-P energy: -89.764 bonds (distance) P-C4' energy: -110.040 flat angles C4'-P-C4' energy: -108.977 flat angles P-C4'-P energy: -75.187 tors. eta vs tors. theta energy: -124.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1280.321095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.321095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.321095 (E_RNA) where: Base-Base interactions energy: -837.035 where: short stacking energy: -377.534 Base-Backbone interact. energy: 0.166 local terms energy: -443.452590 where: bonds (distance) C4'-P energy: -90.134 bonds (distance) P-C4' energy: -100.492 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: -93.709 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: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1259.092965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.092965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.092965 (E_RNA) where: Base-Base interactions energy: -796.807 where: short stacking energy: -368.075 Base-Backbone interact. energy: -3.821 local terms energy: -458.464483 where: bonds (distance) C4'-P energy: -104.523 bonds (distance) P-C4' energy: -92.940 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -64.091 tors. eta vs tors. theta energy: -94.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -664.743989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.743989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.743989 (E_RNA) where: Base-Base interactions energy: -366.323 where: short stacking energy: -220.790 Base-Backbone interact. energy: 1.862 local terms energy: -300.282702 where: bonds (distance) C4'-P energy: -84.723 bonds (distance) P-C4' energy: -91.311 flat angles C4'-P-C4' energy: -70.372 flat angles P-C4'-P energy: -45.822 tors. eta vs tors. theta energy: -8.055 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: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -442.751248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.751248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.751248 (E_RNA) where: Base-Base interactions energy: -152.217 where: short stacking energy: -126.289 Base-Backbone interact. energy: 1.364 local terms energy: -291.898918 where: bonds (distance) C4'-P energy: -94.782 bonds (distance) P-C4' energy: -103.823 flat angles C4'-P-C4' energy: -84.197 flat angles P-C4'-P energy: -47.002 tors. eta vs tors. theta energy: 37.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2020.679924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.679924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.679924 (E_RNA) where: Base-Base interactions energy: -1382.121 where: short stacking energy: -607.703 Base-Backbone interact. energy: -1.311 local terms energy: -637.248283 where: bonds (distance) C4'-P energy: -114.915 bonds (distance) P-C4' energy: -122.594 flat angles C4'-P-C4' energy: -132.598 flat angles P-C4'-P energy: -87.909 tors. eta vs tors. theta energy: -179.233 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: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1967.951933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.951933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.951933 (E_RNA) where: Base-Base interactions energy: -1343.945 where: short stacking energy: -587.296 Base-Backbone interact. energy: -2.475 local terms energy: -621.532033 where: bonds (distance) C4'-P energy: -108.925 bonds (distance) P-C4' energy: -110.874 flat angles C4'-P-C4' energy: -131.667 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -178.621 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: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1782.353743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.353743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.353743 (E_RNA) where: Base-Base interactions energy: -1206.620 where: short stacking energy: -523.520 Base-Backbone interact. energy: -3.360 local terms energy: -572.373541 where: bonds (distance) C4'-P energy: -104.560 bonds (distance) P-C4' energy: -115.815 flat angles C4'-P-C4' energy: -114.040 flat angles P-C4'-P energy: -82.413 tors. eta vs tors. theta energy: -155.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1775.657874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.657874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.657874 (E_RNA) where: Base-Base interactions energy: -1188.237 where: short stacking energy: -519.573 Base-Backbone interact. energy: -0.745 local terms energy: -586.676097 where: bonds (distance) C4'-P energy: -107.830 bonds (distance) P-C4' energy: -113.633 flat angles C4'-P-C4' energy: -127.111 flat angles P-C4'-P energy: -84.442 tors. eta vs tors. theta energy: -153.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1631.182379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.182379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.182379 (E_RNA) where: Base-Base interactions energy: -1097.931 where: short stacking energy: -469.735 Base-Backbone interact. energy: -1.534 local terms energy: -531.717497 where: bonds (distance) C4'-P energy: -92.596 bonds (distance) P-C4' energy: -104.329 flat angles C4'-P-C4' energy: -114.284 flat angles P-C4'-P energy: -83.917 tors. eta vs tors. theta energy: -136.592 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: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1524.323226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.323226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.323226 (E_RNA) where: Base-Base interactions energy: -1016.888 where: short stacking energy: -432.202 Base-Backbone interact. energy: -2.047 local terms energy: -505.387808 where: bonds (distance) C4'-P energy: -103.675 bonds (distance) P-C4' energy: -104.525 flat angles C4'-P-C4' energy: -124.068 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -109.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1272.381930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.381930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.381930 (E_RNA) where: Base-Base interactions energy: -826.626 where: short stacking energy: -356.322 Base-Backbone interact. energy: -2.481 local terms energy: -443.274885 where: bonds (distance) C4'-P energy: -91.077 bonds (distance) P-C4' energy: -98.391 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -65.365 tors. eta vs tors. theta energy: -89.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1295.792193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.792193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.792193 (E_RNA) where: Base-Base interactions energy: -834.584 where: short stacking energy: -375.787 Base-Backbone interact. energy: 2.264 local terms energy: -463.471988 where: bonds (distance) C4'-P energy: -96.166 bonds (distance) P-C4' energy: -112.567 flat angles C4'-P-C4' energy: -106.436 flat angles P-C4'-P energy: -54.032 tors. eta vs tors. theta energy: -94.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -675.428764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.428764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.428764 (E_RNA) where: Base-Base interactions energy: -332.751 where: short stacking energy: -182.445 Base-Backbone interact. energy: -3.594 local terms energy: -339.083338 where: bonds (distance) C4'-P energy: -91.459 bonds (distance) P-C4' energy: -107.018 flat angles C4'-P-C4' energy: -77.527 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: -11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -460.600294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.600294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.600294 (E_RNA) where: Base-Base interactions energy: -139.014 where: short stacking energy: -130.719 Base-Backbone interact. energy: -0.945 local terms energy: -320.640758 where: bonds (distance) C4'-P energy: -82.482 bonds (distance) P-C4' energy: -106.364 flat angles C4'-P-C4' energy: -98.326 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: 9.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2020.976954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.976954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.976954 (E_RNA) where: Base-Base interactions energy: -1385.382 where: short stacking energy: -601.967 Base-Backbone interact. energy: 2.326 local terms energy: -637.921375 where: bonds (distance) C4'-P energy: -108.118 bonds (distance) P-C4' energy: -120.052 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -91.783 tors. eta vs tors. theta energy: -185.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1958.354089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.354089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.354089 (E_RNA) where: Base-Base interactions energy: -1323.818 where: short stacking energy: -590.370 Base-Backbone interact. energy: -3.108 local terms energy: -631.428205 where: bonds (distance) C4'-P energy: -122.774 bonds (distance) P-C4' energy: -112.627 flat angles C4'-P-C4' energy: -128.659 flat angles P-C4'-P energy: -84.404 tors. eta vs tors. theta energy: -182.964 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: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1771.587344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.587344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.587344 (E_RNA) where: Base-Base interactions energy: -1200.376 where: short stacking energy: -529.760 Base-Backbone interact. energy: -4.717 local terms energy: -566.494166 where: bonds (distance) C4'-P energy: -114.794 bonds (distance) P-C4' energy: -108.793 flat angles C4'-P-C4' energy: -118.216 flat angles P-C4'-P energy: -73.504 tors. eta vs tors. theta energy: -151.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1776.654608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.654608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.654608 (E_RNA) where: Base-Base interactions energy: -1194.402 where: short stacking energy: -515.954 Base-Backbone interact. energy: -3.963 local terms energy: -578.289521 where: bonds (distance) C4'-P energy: -105.825 bonds (distance) P-C4' energy: -115.025 flat angles C4'-P-C4' energy: -119.832 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -151.160 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: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1669.389582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.389582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.389582 (E_RNA) where: Base-Base interactions energy: -1131.366 where: short stacking energy: -483.730 Base-Backbone interact. energy: 2.877 local terms energy: -540.900030 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -102.903 flat angles C4'-P-C4' energy: -124.436 flat angles P-C4'-P energy: -72.503 tors. eta vs tors. theta energy: -145.124 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: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1510.053652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.053652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.053652 (E_RNA) where: Base-Base interactions energy: -1023.694 where: short stacking energy: -433.362 Base-Backbone interact. energy: 0.486 local terms energy: -486.845490 where: bonds (distance) C4'-P energy: -102.515 bonds (distance) P-C4' energy: -97.043 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -71.303 tors. eta vs tors. theta energy: -113.117 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: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1211.382339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.382339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.382339 (E_RNA) where: Base-Base interactions energy: -772.636 where: short stacking energy: -342.811 Base-Backbone interact. energy: 3.445 local terms energy: -442.191113 where: bonds (distance) C4'-P energy: -100.163 bonds (distance) P-C4' energy: -103.200 flat angles C4'-P-C4' energy: -101.543 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: -73.562 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: 312 Temperature: 1.250000 Total energy: -1218.766740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.766740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.766740 (E_RNA) where: Base-Base interactions energy: -797.237 where: short stacking energy: -347.638 Base-Backbone interact. energy: -0.782 local terms energy: -420.747361 where: bonds (distance) C4'-P energy: -76.147 bonds (distance) P-C4' energy: -104.350 flat angles C4'-P-C4' energy: -109.528 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -76.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -638.622594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.622594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.622594 (E_RNA) where: Base-Base interactions energy: -320.392 where: short stacking energy: -188.233 Base-Backbone interact. energy: 0.276 local terms energy: -318.506491 where: bonds (distance) C4'-P energy: -95.267 bonds (distance) P-C4' energy: -103.170 flat angles C4'-P-C4' energy: -83.084 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: 3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -475.745653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.745653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.745653 (E_RNA) where: Base-Base interactions energy: -174.807 where: short stacking energy: -110.524 Base-Backbone interact. energy: -1.396 local terms energy: -299.543497 where: bonds (distance) C4'-P energy: -92.336 bonds (distance) P-C4' energy: -98.970 flat angles C4'-P-C4' energy: -76.917 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: 19.951 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: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2011.457673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.457673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.457673 (E_RNA) where: Base-Base interactions energy: -1390.712 where: short stacking energy: -594.012 Base-Backbone interact. energy: -1.959 local terms energy: -618.786139 where: bonds (distance) C4'-P energy: -112.230 bonds (distance) P-C4' energy: -123.679 flat angles C4'-P-C4' energy: -126.422 flat angles P-C4'-P energy: -81.604 tors. eta vs tors. theta energy: -174.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1937.613717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.613717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.613717 (E_RNA) where: Base-Base interactions energy: -1306.741 where: short stacking energy: -575.047 Base-Backbone interact. energy: -0.196 local terms energy: -630.676792 where: bonds (distance) C4'-P energy: -122.791 bonds (distance) P-C4' energy: -117.782 flat angles C4'-P-C4' energy: -132.726 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: -171.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1767.426960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.426960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.426960 (E_RNA) where: Base-Base interactions energy: -1201.011 where: short stacking energy: -531.220 Base-Backbone interact. energy: -2.250 local terms energy: -564.166139 where: bonds (distance) C4'-P energy: -92.026 bonds (distance) P-C4' energy: -109.193 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -77.427 tors. eta vs tors. theta energy: -162.154 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: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1781.558532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.558532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.558532 (E_RNA) where: Base-Base interactions energy: -1204.096 where: short stacking energy: -521.951 Base-Backbone interact. energy: -3.708 local terms energy: -573.754114 where: bonds (distance) C4'-P energy: -104.540 bonds (distance) P-C4' energy: -111.703 flat angles C4'-P-C4' energy: -125.616 flat angles P-C4'-P energy: -79.901 tors. eta vs tors. theta energy: -151.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1666.507140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.507140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.507140 (E_RNA) where: Base-Base interactions energy: -1121.121 where: short stacking energy: -450.566 Base-Backbone interact. energy: -2.607 local terms energy: -542.779074 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -101.034 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -82.956 tors. eta vs tors. theta energy: -132.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1470.009694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.009694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.009694 (E_RNA) where: Base-Base interactions energy: -947.954 where: short stacking energy: -407.193 Base-Backbone interact. energy: 0.881 local terms energy: -522.936175 where: bonds (distance) C4'-P energy: -106.577 bonds (distance) P-C4' energy: -107.470 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -80.293 tors. eta vs tors. theta energy: -117.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1280.396463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.396463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.396463 (E_RNA) where: Base-Base interactions energy: -844.217 where: short stacking energy: -377.091 Base-Backbone interact. energy: -2.926 local terms energy: -433.252977 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -92.126 flat angles C4'-P-C4' energy: -111.656 flat angles P-C4'-P energy: -68.481 tors. eta vs tors. theta energy: -82.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1194.970796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.970796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.970796 (E_RNA) where: Base-Base interactions energy: -783.595 where: short stacking energy: -332.994 Base-Backbone interact. energy: -0.445 local terms energy: -410.931012 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -101.717 flat angles C4'-P-C4' energy: -97.169 flat angles P-C4'-P energy: -59.463 tors. eta vs tors. theta energy: -67.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -599.006456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.006456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.006456 (E_RNA) where: Base-Base interactions energy: -254.633 where: short stacking energy: -165.549 Base-Backbone interact. energy: -2.799 local terms energy: -341.574597 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -88.451 flat angles P-C4'-P energy: -44.467 tors. eta vs tors. theta energy: 0.956 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: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -526.874887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.874887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.874887 (E_RNA) where: Base-Base interactions energy: -235.350 where: short stacking energy: -157.192 Base-Backbone interact. energy: -1.912 local terms energy: -289.613152 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -93.691 flat angles C4'-P-C4' energy: -72.733 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: 8.996 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: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2009.862389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.862389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.862389 (E_RNA) where: Base-Base interactions energy: -1362.174 where: short stacking energy: -612.355 Base-Backbone interact. energy: -3.388 local terms energy: -644.300313 where: bonds (distance) C4'-P energy: -127.207 bonds (distance) P-C4' energy: -114.488 flat angles C4'-P-C4' energy: -139.837 flat angles P-C4'-P energy: -85.366 tors. eta vs tors. theta energy: -177.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1932.940067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.940067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.940067 (E_RNA) where: Base-Base interactions energy: -1335.942 where: short stacking energy: -600.124 Base-Backbone interact. energy: -3.305 local terms energy: -593.693183 where: bonds (distance) C4'-P energy: -112.673 bonds (distance) P-C4' energy: -105.309 flat angles C4'-P-C4' energy: -122.290 flat angles P-C4'-P energy: -80.521 tors. eta vs tors. theta energy: -172.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1791.784007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.784007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.784007 (E_RNA) where: Base-Base interactions energy: -1206.640 where: short stacking energy: -544.887 Base-Backbone interact. energy: -1.061 local terms energy: -584.083646 where: bonds (distance) C4'-P energy: -110.096 bonds (distance) P-C4' energy: -104.539 flat angles C4'-P-C4' energy: -123.760 flat angles P-C4'-P energy: -95.226 tors. eta vs tors. theta energy: -150.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1687.825473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.825473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.825473 (E_RNA) where: Base-Base interactions energy: -1147.615 where: short stacking energy: -508.187 Base-Backbone interact. energy: -0.749 local terms energy: -539.460940 where: bonds (distance) C4'-P energy: -99.031 bonds (distance) P-C4' energy: -105.537 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -72.730 tors. eta vs tors. theta energy: -144.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1649.344825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.344825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.344825 (E_RNA) where: Base-Base interactions energy: -1113.807 where: short stacking energy: -493.967 Base-Backbone interact. energy: 1.297 local terms energy: -536.835090 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -98.122 flat angles C4'-P-C4' energy: -112.341 flat angles P-C4'-P energy: -79.063 tors. eta vs tors. theta energy: -128.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1558.341184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.341184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.341184 (E_RNA) where: Base-Base interactions energy: -1052.033 where: short stacking energy: -469.378 Base-Backbone interact. energy: 3.084 local terms energy: -509.391942 where: bonds (distance) C4'-P energy: -99.430 bonds (distance) P-C4' energy: -107.684 flat angles C4'-P-C4' energy: -105.234 flat angles P-C4'-P energy: -69.048 tors. eta vs tors. theta energy: -127.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1308.662920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.662920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.662920 (E_RNA) where: Base-Base interactions energy: -827.025 where: short stacking energy: -368.537 Base-Backbone interact. energy: 0.452 local terms energy: -482.089051 where: bonds (distance) C4'-P energy: -100.612 bonds (distance) P-C4' energy: -106.746 flat angles C4'-P-C4' energy: -105.403 flat angles P-C4'-P energy: -68.446 tors. eta vs tors. theta energy: -100.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1211.527133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.527133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.527133 (E_RNA) where: Base-Base interactions energy: -775.034 where: short stacking energy: -361.053 Base-Backbone interact. energy: -2.962 local terms energy: -433.531362 where: bonds (distance) C4'-P energy: -106.583 bonds (distance) P-C4' energy: -102.222 flat angles C4'-P-C4' energy: -92.370 flat angles P-C4'-P energy: -53.462 tors. eta vs tors. theta energy: -78.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -548.803806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.803806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.803806 (E_RNA) where: Base-Base interactions energy: -219.778 where: short stacking energy: -151.336 Base-Backbone interact. energy: -0.729 local terms energy: -328.296657 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -98.097 flat angles C4'-P-C4' energy: -85.218 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: 11.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -589.608254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.608254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.608254 (E_RNA) where: Base-Base interactions energy: -303.171 where: short stacking energy: -182.383 Base-Backbone interact. energy: -2.372 local terms energy: -284.065440 where: bonds (distance) C4'-P energy: -82.898 bonds (distance) P-C4' energy: -87.546 flat angles C4'-P-C4' energy: -78.745 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: 4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2027.259221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.259221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.259221 (E_RNA) where: Base-Base interactions energy: -1385.881 where: short stacking energy: -625.653 Base-Backbone interact. energy: -1.039 local terms energy: -640.339056 where: bonds (distance) C4'-P energy: -122.753 bonds (distance) P-C4' energy: -104.698 flat angles C4'-P-C4' energy: -134.235 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -187.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1958.291774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.291774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.291774 (E_RNA) where: Base-Base interactions energy: -1332.853 where: short stacking energy: -582.419 Base-Backbone interact. energy: -3.754 local terms energy: -621.685369 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -120.413 flat angles C4'-P-C4' energy: -128.302 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -173.206 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: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1799.754900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.754900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.754900 (E_RNA) where: Base-Base interactions energy: -1212.050 where: short stacking energy: -532.477 Base-Backbone interact. energy: -0.151 local terms energy: -587.554281 where: bonds (distance) C4'-P energy: -110.455 bonds (distance) P-C4' energy: -115.011 flat angles C4'-P-C4' energy: -121.169 flat angles P-C4'-P energy: -88.705 tors. eta vs tors. theta energy: -152.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1699.703886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.703886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.703886 (E_RNA) where: Base-Base interactions energy: -1138.605 where: short stacking energy: -531.663 Base-Backbone interact. energy: -6.801 local terms energy: -554.297869 where: bonds (distance) C4'-P energy: -101.234 bonds (distance) P-C4' energy: -98.407 flat angles C4'-P-C4' energy: -124.403 flat angles P-C4'-P energy: -74.475 tors. eta vs tors. theta energy: -155.780 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: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1618.677156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.677156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.677156 (E_RNA) where: Base-Base interactions energy: -1081.733 where: short stacking energy: -436.850 Base-Backbone interact. energy: -2.515 local terms energy: -534.428854 where: bonds (distance) C4'-P energy: -96.472 bonds (distance) P-C4' energy: -110.611 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -75.308 tors. eta vs tors. theta energy: -135.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1500.424617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.424617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.424617 (E_RNA) where: Base-Base interactions energy: -994.849 where: short stacking energy: -425.093 Base-Backbone interact. energy: -1.877 local terms energy: -503.697808 where: bonds (distance) C4'-P energy: -102.182 bonds (distance) P-C4' energy: -101.052 flat angles C4'-P-C4' energy: -106.221 flat angles P-C4'-P energy: -88.551 tors. eta vs tors. theta energy: -105.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1277.557607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.557607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.557607 (E_RNA) where: Base-Base interactions energy: -824.539 where: short stacking energy: -380.789 Base-Backbone interact. energy: 0.911 local terms energy: -453.930363 where: bonds (distance) C4'-P energy: -103.907 bonds (distance) P-C4' energy: -109.249 flat angles C4'-P-C4' energy: -107.879 flat angles P-C4'-P energy: -45.086 tors. eta vs tors. theta energy: -87.810 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1154.385014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.385014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.385014 (E_RNA) where: Base-Base interactions energy: -721.122 where: short stacking energy: -328.174 Base-Backbone interact. energy: 3.792 local terms energy: -437.054809 where: bonds (distance) C4'-P energy: -102.275 bonds (distance) P-C4' energy: -110.171 flat angles C4'-P-C4' energy: -100.349 flat angles P-C4'-P energy: -63.517 tors. eta vs tors. theta energy: -60.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -543.346220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.346220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.346220 (E_RNA) where: Base-Base interactions energy: -214.922 where: short stacking energy: -176.588 Base-Backbone interact. energy: -0.594 local terms energy: -327.830452 where: bonds (distance) C4'-P energy: -96.037 bonds (distance) P-C4' energy: -93.595 flat angles C4'-P-C4' energy: -87.647 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: 3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -586.258847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.258847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.258847 (E_RNA) where: Base-Base interactions energy: -292.215 where: short stacking energy: -163.848 Base-Backbone interact. energy: 3.630 local terms energy: -297.674553 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -89.514 flat angles C4'-P-C4' energy: -78.344 flat angles P-C4'-P energy: -44.429 tors. eta vs tors. theta energy: 8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2028.584920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.584920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.584920 (E_RNA) where: Base-Base interactions energy: -1378.705 where: short stacking energy: -593.671 Base-Backbone interact. energy: -2.899 local terms energy: -646.980443 where: bonds (distance) C4'-P energy: -112.455 bonds (distance) P-C4' energy: -127.559 flat angles C4'-P-C4' energy: -128.714 flat angles P-C4'-P energy: -101.633 tors. eta vs tors. theta energy: -176.618 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: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1942.241618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.241618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.241618 (E_RNA) where: Base-Base interactions energy: -1312.892 where: short stacking energy: -591.455 Base-Backbone interact. energy: -1.032 local terms energy: -628.317652 where: bonds (distance) C4'-P energy: -121.008 bonds (distance) P-C4' energy: -119.993 flat angles C4'-P-C4' energy: -116.953 flat angles P-C4'-P energy: -91.873 tors. eta vs tors. theta energy: -178.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1792.317329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.317329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.317329 (E_RNA) where: Base-Base interactions energy: -1201.152 where: short stacking energy: -547.551 Base-Backbone interact. energy: 1.538 local terms energy: -592.703497 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -106.159 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -85.257 tors. eta vs tors. theta energy: -157.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1710.457345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.457345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.457345 (E_RNA) where: Base-Base interactions energy: -1148.399 where: short stacking energy: -499.883 Base-Backbone interact. energy: -2.633 local terms energy: -559.424915 where: bonds (distance) C4'-P energy: -104.366 bonds (distance) P-C4' energy: -116.064 flat angles C4'-P-C4' energy: -124.560 flat angles P-C4'-P energy: -85.820 tors. eta vs tors. theta energy: -128.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1633.321484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.321484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.321484 (E_RNA) where: Base-Base interactions energy: -1125.367 where: short stacking energy: -463.257 Base-Backbone interact. energy: -3.279 local terms energy: -504.675765 where: bonds (distance) C4'-P energy: -98.784 bonds (distance) P-C4' energy: -90.835 flat angles C4'-P-C4' energy: -121.281 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -123.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1515.837636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.837636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.837636 (E_RNA) where: Base-Base interactions energy: -1029.667 where: short stacking energy: -416.064 Base-Backbone interact. energy: 2.271 local terms energy: -488.440837 where: bonds (distance) C4'-P energy: -108.775 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -110.066 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: -111.819 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: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1292.590657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.590657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.590657 (E_RNA) where: Base-Base interactions energy: -853.329 where: short stacking energy: -367.328 Base-Backbone interact. energy: -2.169 local terms energy: -437.092506 where: bonds (distance) C4'-P energy: -101.170 bonds (distance) P-C4' energy: -104.899 flat angles C4'-P-C4' energy: -91.138 flat angles P-C4'-P energy: -61.186 tors. eta vs tors. theta energy: -78.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1126.350137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.350137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.350137 (E_RNA) where: Base-Base interactions energy: -699.081 where: short stacking energy: -332.400 Base-Backbone interact. energy: 2.693 local terms energy: -429.962161 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -111.003 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -77.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -633.265094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.265094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.265094 (E_RNA) where: Base-Base interactions energy: -317.188 where: short stacking energy: -191.549 Base-Backbone interact. energy: -0.982 local terms energy: -315.095003 where: bonds (distance) C4'-P energy: -78.020 bonds (distance) P-C4' energy: -90.525 flat angles C4'-P-C4' energy: -79.904 flat angles P-C4'-P energy: -58.122 tors. eta vs tors. theta energy: -8.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -481.229273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.229273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.229273 (E_RNA) where: Base-Base interactions energy: -178.399 where: short stacking energy: -129.721 Base-Backbone interact. energy: -2.185 local terms energy: -300.645668 where: bonds (distance) C4'-P energy: -89.726 bonds (distance) P-C4' energy: -113.180 flat angles C4'-P-C4' energy: -71.310 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: 16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2016.032089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.032089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.032089 (E_RNA) where: Base-Base interactions energy: -1396.478 where: short stacking energy: -603.063 Base-Backbone interact. energy: -0.698 local terms energy: -618.855732 where: bonds (distance) C4'-P energy: -110.596 bonds (distance) P-C4' energy: -115.796 flat angles C4'-P-C4' energy: -128.869 flat angles P-C4'-P energy: -83.562 tors. eta vs tors. theta energy: -180.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1962.210112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.210112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.210112 (E_RNA) where: Base-Base interactions energy: -1345.762 where: short stacking energy: -565.566 Base-Backbone interact. energy: -2.380 local terms energy: -614.068222 where: bonds (distance) C4'-P energy: -106.903 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -124.125 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: -177.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1768.053239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.053239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.053239 (E_RNA) where: Base-Base interactions energy: -1203.470 where: short stacking energy: -524.087 Base-Backbone interact. energy: 0.559 local terms energy: -565.141913 where: bonds (distance) C4'-P energy: -104.730 bonds (distance) P-C4' energy: -124.059 flat angles C4'-P-C4' energy: -107.033 flat angles P-C4'-P energy: -82.650 tors. eta vs tors. theta energy: -146.670 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: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1698.189348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.189348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.189348 (E_RNA) where: Base-Base interactions energy: -1163.393 where: short stacking energy: -518.376 Base-Backbone interact. energy: 1.499 local terms energy: -536.294492 where: bonds (distance) C4'-P energy: -101.284 bonds (distance) P-C4' energy: -107.788 flat angles C4'-P-C4' energy: -114.938 flat angles P-C4'-P energy: -70.174 tors. eta vs tors. theta energy: -142.110 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: 317 Temperature: 1.100000 Total energy: -1621.775570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.775570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.775570 (E_RNA) where: Base-Base interactions energy: -1092.206 where: short stacking energy: -449.718 Base-Backbone interact. energy: 0.055 local terms energy: -529.623798 where: bonds (distance) C4'-P energy: -107.894 bonds (distance) P-C4' energy: -114.873 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -76.231 tors. eta vs tors. theta energy: -122.059 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: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1517.068401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.068401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.068401 (E_RNA) where: Base-Base interactions energy: -1041.568 where: short stacking energy: -425.634 Base-Backbone interact. energy: -1.218 local terms energy: -474.282901 where: bonds (distance) C4'-P energy: -96.914 bonds (distance) P-C4' energy: -90.124 flat angles C4'-P-C4' energy: -110.531 flat angles P-C4'-P energy: -64.791 tors. eta vs tors. theta energy: -111.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1197.503344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.503344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.503344 (E_RNA) where: Base-Base interactions energy: -754.155 where: short stacking energy: -350.772 Base-Backbone interact. energy: 0.042 local terms energy: -443.390303 where: bonds (distance) C4'-P energy: -96.905 bonds (distance) P-C4' energy: -84.345 flat angles C4'-P-C4' energy: -109.109 flat angles P-C4'-P energy: -66.917 tors. eta vs tors. theta energy: -86.115 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: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1137.381863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.381863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.381863 (E_RNA) where: Base-Base interactions energy: -708.926 where: short stacking energy: -330.844 Base-Backbone interact. energy: 0.866 local terms energy: -429.322555 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -105.230 flat angles C4'-P-C4' energy: -76.767 flat angles P-C4'-P energy: -66.343 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: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -620.853285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.853285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.853285 (E_RNA) where: Base-Base interactions energy: -295.849 where: short stacking energy: -171.220 Base-Backbone interact. energy: -1.570 local terms energy: -323.433677 where: bonds (distance) C4'-P energy: -87.827 bonds (distance) P-C4' energy: -99.079 flat angles C4'-P-C4' energy: -75.329 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: 1.897 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: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -474.540349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.540349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.540349 (E_RNA) where: Base-Base interactions energy: -141.371 where: short stacking energy: -115.371 Base-Backbone interact. energy: -3.615 local terms energy: -329.554990 where: bonds (distance) C4'-P energy: -101.599 bonds (distance) P-C4' energy: -113.090 flat angles C4'-P-C4' energy: -75.604 flat angles P-C4'-P energy: -59.916 tors. eta vs tors. theta energy: 20.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2023.607659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.607659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.607659 (E_RNA) where: Base-Base interactions energy: -1387.881 where: short stacking energy: -606.878 Base-Backbone interact. energy: -2.053 local terms energy: -633.673540 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -122.471 flat angles C4'-P-C4' energy: -130.490 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: -174.985 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: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1976.789606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.789606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.789606 (E_RNA) where: Base-Base interactions energy: -1341.245 where: short stacking energy: -586.224 Base-Backbone interact. energy: -2.261 local terms energy: -633.282908 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -120.170 flat angles C4'-P-C4' energy: -127.745 flat angles P-C4'-P energy: -85.064 tors. eta vs tors. theta energy: -169.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1776.313812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.313812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.313812 (E_RNA) where: Base-Base interactions energy: -1207.326 where: short stacking energy: -536.201 Base-Backbone interact. energy: -2.009 local terms energy: -566.978959 where: bonds (distance) C4'-P energy: -96.455 bonds (distance) P-C4' energy: -109.834 flat angles C4'-P-C4' energy: -121.004 flat angles P-C4'-P energy: -84.915 tors. eta vs tors. theta energy: -154.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1683.062058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.062058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.062058 (E_RNA) where: Base-Base interactions energy: -1137.008 where: short stacking energy: -493.680 Base-Backbone interact. energy: -2.706 local terms energy: -543.348628 where: bonds (distance) C4'-P energy: -96.687 bonds (distance) P-C4' energy: -116.698 flat angles C4'-P-C4' energy: -122.568 flat angles P-C4'-P energy: -67.140 tors. eta vs tors. theta energy: -140.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1587.209891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.209891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.209891 (E_RNA) where: Base-Base interactions energy: -1088.559 where: short stacking energy: -435.397 Base-Backbone interact. energy: 4.411 local terms energy: -503.061492 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -104.143 flat angles C4'-P-C4' energy: -110.817 flat angles P-C4'-P energy: -78.550 tors. eta vs tors. theta energy: -116.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1519.646530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.646530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.646530 (E_RNA) where: Base-Base interactions energy: -1041.911 where: short stacking energy: -435.447 Base-Backbone interact. energy: 2.944 local terms energy: -480.680330 where: bonds (distance) C4'-P energy: -101.115 bonds (distance) P-C4' energy: -93.585 flat angles C4'-P-C4' energy: -108.147 flat angles P-C4'-P energy: -71.312 tors. eta vs tors. theta energy: -106.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1275.466337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.466337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.466337 (E_RNA) where: Base-Base interactions energy: -820.176 where: short stacking energy: -379.310 Base-Backbone interact. energy: 0.081 local terms energy: -455.371957 where: bonds (distance) C4'-P energy: -79.862 bonds (distance) P-C4' energy: -87.207 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -76.005 tors. eta vs tors. theta energy: -100.564 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: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1174.234224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.234224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.234224 (E_RNA) where: Base-Base interactions energy: -751.112 where: short stacking energy: -342.766 Base-Backbone interact. energy: -2.129 local terms energy: -420.992989 where: bonds (distance) C4'-P energy: -89.495 bonds (distance) P-C4' energy: -97.307 flat angles C4'-P-C4' energy: -100.551 flat angles P-C4'-P energy: -66.278 tors. eta vs tors. theta energy: -67.361 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: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -632.281451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.281451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.281451 (E_RNA) where: Base-Base interactions energy: -312.040 where: short stacking energy: -188.493 Base-Backbone interact. energy: -1.492 local terms energy: -318.750314 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -105.167 flat angles C4'-P-C4' energy: -79.410 flat angles P-C4'-P energy: -50.070 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: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -462.977622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.977622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.977622 (E_RNA) where: Base-Base interactions energy: -172.737 where: short stacking energy: -136.903 Base-Backbone interact. energy: -2.981 local terms energy: -287.259483 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -73.241 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: 16.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2024.896622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.896622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.896622 (E_RNA) where: Base-Base interactions energy: -1397.050 where: short stacking energy: -616.488 Base-Backbone interact. energy: -1.462 local terms energy: -626.384216 where: bonds (distance) C4'-P energy: -104.753 bonds (distance) P-C4' energy: -112.012 flat angles C4'-P-C4' energy: -138.734 flat angles P-C4'-P energy: -96.279 tors. eta vs tors. theta energy: -174.607 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: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1945.235469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.235469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.235469 (E_RNA) where: Base-Base interactions energy: -1327.260 where: short stacking energy: -588.663 Base-Backbone interact. energy: 1.447 local terms energy: -619.422531 where: bonds (distance) C4'-P energy: -108.826 bonds (distance) P-C4' energy: -122.928 flat angles C4'-P-C4' energy: -134.428 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -176.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1804.127020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.127020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.127020 (E_RNA) where: Base-Base interactions energy: -1203.744 where: short stacking energy: -528.012 Base-Backbone interact. energy: -2.377 local terms energy: -598.005529 where: bonds (distance) C4'-P energy: -117.887 bonds (distance) P-C4' energy: -105.764 flat angles C4'-P-C4' energy: -134.261 flat angles P-C4'-P energy: -78.955 tors. eta vs tors. theta energy: -161.139 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: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1676.621469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.621469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.621469 (E_RNA) where: Base-Base interactions energy: -1127.195 where: short stacking energy: -480.564 Base-Backbone interact. energy: 0.596 local terms energy: -550.022096 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -94.203 flat angles C4'-P-C4' energy: -128.373 flat angles P-C4'-P energy: -76.941 tors. eta vs tors. theta energy: -144.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1629.825703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.825703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.825703 (E_RNA) where: Base-Base interactions energy: -1125.569 where: short stacking energy: -464.046 Base-Backbone interact. energy: -2.186 local terms energy: -502.070568 where: bonds (distance) C4'-P energy: -88.120 bonds (distance) P-C4' energy: -97.447 flat angles C4'-P-C4' energy: -113.454 flat angles P-C4'-P energy: -74.402 tors. eta vs tors. theta energy: -128.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1556.186970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.186970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.186970 (E_RNA) where: Base-Base interactions energy: -1072.523 where: short stacking energy: -440.178 Base-Backbone interact. energy: 4.356 local terms energy: -488.019537 where: bonds (distance) C4'-P energy: -110.806 bonds (distance) P-C4' energy: -86.856 flat angles C4'-P-C4' energy: -103.812 flat angles P-C4'-P energy: -72.061 tors. eta vs tors. theta energy: -114.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1272.247026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.247026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.247026 (E_RNA) where: Base-Base interactions energy: -804.360 where: short stacking energy: -376.974 Base-Backbone interact. energy: -1.367 local terms energy: -466.520729 where: bonds (distance) C4'-P energy: -93.813 bonds (distance) P-C4' energy: -96.922 flat angles C4'-P-C4' energy: -114.465 flat angles P-C4'-P energy: -62.848 tors. eta vs tors. theta energy: -98.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1216.314319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.314319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.314319 (E_RNA) where: Base-Base interactions energy: -777.280 where: short stacking energy: -360.408 Base-Backbone interact. energy: 0.099 local terms energy: -439.132687 where: bonds (distance) C4'-P energy: -89.514 bonds (distance) P-C4' energy: -104.946 flat angles C4'-P-C4' energy: -94.918 flat angles P-C4'-P energy: -61.407 tors. eta vs tors. theta energy: -88.348 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: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -686.213869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.213869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.213869 (E_RNA) where: Base-Base interactions energy: -331.808 where: short stacking energy: -190.178 Base-Backbone interact. energy: -1.394 local terms energy: -353.012077 where: bonds (distance) C4'-P energy: -96.969 bonds (distance) P-C4' energy: -100.730 flat angles C4'-P-C4' energy: -93.648 flat angles P-C4'-P energy: -35.873 tors. eta vs tors. theta energy: -25.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -476.880221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.880221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.880221 (E_RNA) where: Base-Base interactions energy: -187.486 where: short stacking energy: -127.896 Base-Backbone interact. energy: 1.322 local terms energy: -290.716104 where: bonds (distance) C4'-P energy: -81.865 bonds (distance) P-C4' energy: -83.950 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: 10.203 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: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2038.481018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.481018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.481018 (E_RNA) where: Base-Base interactions energy: -1388.960 where: short stacking energy: -613.057 Base-Backbone interact. energy: 0.620 local terms energy: -650.141018 where: bonds (distance) C4'-P energy: -116.679 bonds (distance) P-C4' energy: -120.670 flat angles C4'-P-C4' energy: -132.966 flat angles P-C4'-P energy: -91.723 tors. eta vs tors. theta energy: -188.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1964.395020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.395020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.395020 (E_RNA) where: Base-Base interactions energy: -1331.317 where: short stacking energy: -580.910 Base-Backbone interact. energy: -2.758 local terms energy: -630.320338 where: bonds (distance) C4'-P energy: -119.934 bonds (distance) P-C4' energy: -110.600 flat angles C4'-P-C4' energy: -136.492 flat angles P-C4'-P energy: -87.495 tors. eta vs tors. theta energy: -175.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1811.662249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.662249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.662249 (E_RNA) where: Base-Base interactions energy: -1234.047 where: short stacking energy: -544.987 Base-Backbone interact. energy: -2.233 local terms energy: -575.382247 where: bonds (distance) C4'-P energy: -99.182 bonds (distance) P-C4' energy: -112.680 flat angles C4'-P-C4' energy: -115.191 flat angles P-C4'-P energy: -79.774 tors. eta vs tors. theta energy: -168.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1732.971866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.971866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.971866 (E_RNA) where: Base-Base interactions energy: -1163.405 where: short stacking energy: -499.685 Base-Backbone interact. energy: -3.702 local terms energy: -565.865005 where: bonds (distance) C4'-P energy: -119.942 bonds (distance) P-C4' energy: -109.592 flat angles C4'-P-C4' energy: -124.185 flat angles P-C4'-P energy: -78.206 tors. eta vs tors. theta energy: -133.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1594.473053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.473053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.473053 (E_RNA) where: Base-Base interactions energy: -1063.479 where: short stacking energy: -439.321 Base-Backbone interact. energy: -2.477 local terms energy: -528.517704 where: bonds (distance) C4'-P energy: -110.866 bonds (distance) P-C4' energy: -97.700 flat angles C4'-P-C4' energy: -123.635 flat angles P-C4'-P energy: -69.899 tors. eta vs tors. theta energy: -126.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1614.219500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.219500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.219500 (E_RNA) where: Base-Base interactions energy: -1108.721 where: short stacking energy: -453.127 Base-Backbone interact. energy: 0.700 local terms energy: -506.198131 where: bonds (distance) C4'-P energy: -89.105 bonds (distance) P-C4' energy: -110.172 flat angles C4'-P-C4' energy: -100.957 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: -126.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1218.306951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.306951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.306951 (E_RNA) where: Base-Base interactions energy: -791.310 where: short stacking energy: -351.046 Base-Backbone interact. energy: 1.214 local terms energy: -428.210667 where: bonds (distance) C4'-P energy: -98.492 bonds (distance) P-C4' energy: -106.444 flat angles C4'-P-C4' energy: -89.719 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -73.751 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: 320 Temperature: 1.250000 Total energy: -1186.657452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.657452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.657452 (E_RNA) where: Base-Base interactions energy: -748.650 where: short stacking energy: -343.683 Base-Backbone interact. energy: 1.391 local terms energy: -439.398086 where: bonds (distance) C4'-P energy: -90.673 bonds (distance) P-C4' energy: -112.543 flat angles C4'-P-C4' energy: -92.946 flat angles P-C4'-P energy: -68.195 tors. eta vs tors. theta energy: -75.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -679.753918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.753918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.753918 (E_RNA) where: Base-Base interactions energy: -346.427 where: short stacking energy: -201.744 Base-Backbone interact. energy: 0.778 local terms energy: -334.104751 where: bonds (distance) C4'-P energy: -91.397 bonds (distance) P-C4' energy: -102.224 flat angles C4'-P-C4' energy: -86.315 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -446.969687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.969687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.969687 (E_RNA) where: Base-Base interactions energy: -156.599 where: short stacking energy: -120.375 Base-Backbone interact. energy: 0.349 local terms energy: -290.718952 where: bonds (distance) C4'-P energy: -78.873 bonds (distance) P-C4' energy: -102.043 flat angles C4'-P-C4' energy: -89.559 flat angles P-C4'-P energy: -47.911 tors. eta vs tors. theta energy: 27.666 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: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2050.008669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.008669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.008669 (E_RNA) where: Base-Base interactions energy: -1412.470 where: short stacking energy: -624.657 Base-Backbone interact. energy: 1.537 local terms energy: -639.075430 where: bonds (distance) C4'-P energy: -118.197 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -129.878 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -180.914 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: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1979.586870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.586870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.586870 (E_RNA) where: Base-Base interactions energy: -1333.695 where: short stacking energy: -603.405 Base-Backbone interact. energy: -3.756 local terms energy: -642.136461 where: bonds (distance) C4'-P energy: -107.656 bonds (distance) P-C4' energy: -124.301 flat angles C4'-P-C4' energy: -129.521 flat angles P-C4'-P energy: -96.450 tors. eta vs tors. theta energy: -184.209 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: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1791.485345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.485345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.485345 (E_RNA) where: Base-Base interactions energy: -1231.162 where: short stacking energy: -537.397 Base-Backbone interact. energy: 1.018 local terms energy: -561.340898 where: bonds (distance) C4'-P energy: -90.592 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -126.565 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: -157.370 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: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1719.575402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.575402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.575402 (E_RNA) where: Base-Base interactions energy: -1144.332 where: short stacking energy: -508.619 Base-Backbone interact. energy: -2.410 local terms energy: -572.833626 where: bonds (distance) C4'-P energy: -116.393 bonds (distance) P-C4' energy: -104.959 flat angles C4'-P-C4' energy: -121.021 flat angles P-C4'-P energy: -75.783 tors. eta vs tors. theta energy: -154.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1629.391489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.391489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.391489 (E_RNA) where: Base-Base interactions energy: -1120.856 where: short stacking energy: -477.484 Base-Backbone interact. energy: 1.635 local terms energy: -510.170744 where: bonds (distance) C4'-P energy: -108.951 bonds (distance) P-C4' energy: -80.867 flat angles C4'-P-C4' energy: -111.146 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: -133.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1592.547918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.547918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.547918 (E_RNA) where: Base-Base interactions energy: -1080.513 where: short stacking energy: -459.579 Base-Backbone interact. energy: -2.517 local terms energy: -509.518091 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -101.061 flat angles C4'-P-C4' energy: -113.722 flat angles P-C4'-P energy: -74.170 tors. eta vs tors. theta energy: -119.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1258.566268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.566268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.566268 (E_RNA) where: Base-Base interactions energy: -794.002 where: short stacking energy: -394.073 Base-Backbone interact. energy: -1.115 local terms energy: -463.449866 where: bonds (distance) C4'-P energy: -91.785 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -107.571 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -95.477 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: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1168.967701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.967701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.967701 (E_RNA) where: Base-Base interactions energy: -755.397 where: short stacking energy: -337.907 Base-Backbone interact. energy: -0.368 local terms energy: -413.202282 where: bonds (distance) C4'-P energy: -98.749 bonds (distance) P-C4' energy: -81.031 flat angles C4'-P-C4' energy: -99.971 flat angles P-C4'-P energy: -60.189 tors. eta vs tors. theta energy: -73.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -728.198052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.198052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.198052 (E_RNA) where: Base-Base interactions energy: -369.628 where: short stacking energy: -211.597 Base-Backbone interact. energy: -0.017 local terms energy: -358.553029 where: bonds (distance) C4'-P energy: -105.361 bonds (distance) P-C4' energy: -85.772 flat angles C4'-P-C4' energy: -102.070 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -15.483 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: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -457.874101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.874101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.874101 (E_RNA) where: Base-Base interactions energy: -165.577 where: short stacking energy: -127.854 Base-Backbone interact. energy: 1.329 local terms energy: -293.625495 where: bonds (distance) C4'-P energy: -79.058 bonds (distance) P-C4' energy: -103.465 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: 9.686 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: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2017.462912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.462912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.462912 (E_RNA) where: Base-Base interactions energy: -1374.631 where: short stacking energy: -622.139 Base-Backbone interact. energy: -0.338 local terms energy: -642.494530 where: bonds (distance) C4'-P energy: -109.361 bonds (distance) P-C4' energy: -125.263 flat angles C4'-P-C4' energy: -137.008 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -172.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1999.428716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.428716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.428716 (E_RNA) where: Base-Base interactions energy: -1375.005 where: short stacking energy: -610.725 Base-Backbone interact. energy: -1.708 local terms energy: -622.716133 where: bonds (distance) C4'-P energy: -115.252 bonds (distance) P-C4' energy: -114.725 flat angles C4'-P-C4' energy: -126.126 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: -186.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1792.325769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.325769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.325769 (E_RNA) where: Base-Base interactions energy: -1216.845 where: short stacking energy: -516.017 Base-Backbone interact. energy: -1.520 local terms energy: -573.960538 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -101.795 flat angles C4'-P-C4' energy: -127.972 flat angles P-C4'-P energy: -81.115 tors. eta vs tors. theta energy: -154.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1719.510205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.510205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.510205 (E_RNA) where: Base-Base interactions energy: -1163.835 where: short stacking energy: -506.433 Base-Backbone interact. energy: -3.564 local terms energy: -552.110343 where: bonds (distance) C4'-P energy: -111.362 bonds (distance) P-C4' energy: -109.543 flat angles C4'-P-C4' energy: -121.222 flat angles P-C4'-P energy: -68.995 tors. eta vs tors. theta energy: -140.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1587.130995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.130995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.130995 (E_RNA) where: Base-Base interactions energy: -1083.309 where: short stacking energy: -443.033 Base-Backbone interact. energy: -1.659 local terms energy: -502.162940 where: bonds (distance) C4'-P energy: -108.091 bonds (distance) P-C4' energy: -106.899 flat angles C4'-P-C4' energy: -112.488 flat angles P-C4'-P energy: -66.845 tors. eta vs tors. theta energy: -107.840 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: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1520.551331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.551331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.551331 (E_RNA) where: Base-Base interactions energy: -1014.166 where: short stacking energy: -423.321 Base-Backbone interact. energy: 5.157 local terms energy: -511.542065 where: bonds (distance) C4'-P energy: -100.686 bonds (distance) P-C4' energy: -118.135 flat angles C4'-P-C4' energy: -121.725 flat angles P-C4'-P energy: -56.591 tors. eta vs tors. theta energy: -114.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1189.511016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.511016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.511016 (E_RNA) where: Base-Base interactions energy: -762.970 where: short stacking energy: -347.672 Base-Backbone interact. energy: 0.573 local terms energy: -427.114744 where: bonds (distance) C4'-P energy: -106.520 bonds (distance) P-C4' energy: -93.708 flat angles C4'-P-C4' energy: -105.211 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -79.463 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: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1160.721622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.721622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.721622 (E_RNA) where: Base-Base interactions energy: -725.055 where: short stacking energy: -349.741 Base-Backbone interact. energy: 3.419 local terms energy: -439.085881 where: bonds (distance) C4'-P energy: -99.741 bonds (distance) P-C4' energy: -107.042 flat angles C4'-P-C4' energy: -98.094 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -71.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -726.380721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.380721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.380721 (E_RNA) where: Base-Base interactions energy: -403.966 where: short stacking energy: -207.467 Base-Backbone interact. energy: 0.127 local terms energy: -322.541636 where: bonds (distance) C4'-P energy: -86.835 bonds (distance) P-C4' energy: -99.734 flat angles C4'-P-C4' energy: -77.652 flat angles P-C4'-P energy: -45.712 tors. eta vs tors. theta energy: -12.609 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: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -502.091765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.091765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.091765 (E_RNA) where: Base-Base interactions energy: -186.937 where: short stacking energy: -151.959 Base-Backbone interact. energy: 3.591 local terms energy: -318.746314 where: bonds (distance) C4'-P energy: -95.731 bonds (distance) P-C4' energy: -93.726 flat angles C4'-P-C4' energy: -70.808 flat angles P-C4'-P energy: -54.337 tors. eta vs tors. theta energy: -4.144 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: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2029.652268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.652268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.652268 (E_RNA) where: Base-Base interactions energy: -1392.768 where: short stacking energy: -615.071 Base-Backbone interact. energy: -4.993 local terms energy: -631.891583 where: bonds (distance) C4'-P energy: -101.675 bonds (distance) P-C4' energy: -115.966 flat angles C4'-P-C4' energy: -129.216 flat angles P-C4'-P energy: -101.930 tors. eta vs tors. theta energy: -183.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2004.824369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.824369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.824369 (E_RNA) where: Base-Base interactions energy: -1376.927 where: short stacking energy: -604.162 Base-Backbone interact. energy: -0.440 local terms energy: -627.457172 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -114.141 flat angles C4'-P-C4' energy: -122.024 flat angles P-C4'-P energy: -94.792 tors. eta vs tors. theta energy: -181.637 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: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1782.434553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.434553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.434553 (E_RNA) where: Base-Base interactions energy: -1218.467 where: short stacking energy: -540.281 Base-Backbone interact. energy: -0.152 local terms energy: -563.816226 where: bonds (distance) C4'-P energy: -106.399 bonds (distance) P-C4' energy: -106.165 flat angles C4'-P-C4' energy: -116.514 flat angles P-C4'-P energy: -81.847 tors. eta vs tors. theta energy: -152.891 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: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1771.751705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.751705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.751705 (E_RNA) where: Base-Base interactions energy: -1194.597 where: short stacking energy: -530.545 Base-Backbone interact. energy: -0.638 local terms energy: -576.516475 where: bonds (distance) C4'-P energy: -106.054 bonds (distance) P-C4' energy: -114.472 flat angles C4'-P-C4' energy: -108.745 flat angles P-C4'-P energy: -89.830 tors. eta vs tors. theta energy: -157.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1619.329084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.329084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.329084 (E_RNA) where: Base-Base interactions energy: -1112.941 where: short stacking energy: -493.101 Base-Backbone interact. energy: 0.537 local terms energy: -506.924321 where: bonds (distance) C4'-P energy: -92.106 bonds (distance) P-C4' energy: -97.715 flat angles C4'-P-C4' energy: -118.343 flat angles P-C4'-P energy: -72.785 tors. eta vs tors. theta energy: -125.975 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: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1465.222883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.222883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.222883 (E_RNA) where: Base-Base interactions energy: -968.582 where: short stacking energy: -431.307 Base-Backbone interact. energy: 1.826 local terms energy: -498.467101 where: bonds (distance) C4'-P energy: -100.018 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -104.413 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -124.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1193.245483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.245483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.245483 (E_RNA) where: Base-Base interactions energy: -738.454 where: short stacking energy: -342.456 Base-Backbone interact. energy: 2.224 local terms energy: -457.015358 where: bonds (distance) C4'-P energy: -100.599 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -105.917 flat angles P-C4'-P energy: -63.363 tors. eta vs tors. theta energy: -76.185 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: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1165.633961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.633961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.633961 (E_RNA) where: Base-Base interactions energy: -729.472 where: short stacking energy: -312.226 Base-Backbone interact. energy: -0.552 local terms energy: -435.610159 where: bonds (distance) C4'-P energy: -91.232 bonds (distance) P-C4' energy: -115.778 flat angles C4'-P-C4' energy: -94.077 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: -66.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -702.120248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.120248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.120248 (E_RNA) where: Base-Base interactions energy: -362.308 where: short stacking energy: -207.809 Base-Backbone interact. energy: -2.707 local terms energy: -337.105260 where: bonds (distance) C4'-P energy: -91.351 bonds (distance) P-C4' energy: -102.545 flat angles C4'-P-C4' energy: -83.673 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -449.456658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.456658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.456658 (E_RNA) where: Base-Base interactions energy: -165.715 where: short stacking energy: -145.657 Base-Backbone interact. energy: -1.555 local terms energy: -282.186701 where: bonds (distance) C4'-P energy: -99.132 bonds (distance) P-C4' energy: -101.306 flat angles C4'-P-C4' energy: -46.199 flat angles P-C4'-P energy: -32.454 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1982.783392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.783392 (E_RNA) where: Base-Base interactions energy: -1359.012 where: short stacking energy: -588.178 Base-Backbone interact. energy: -3.729 local terms energy: -620.042742 where: bonds (distance) C4'-P energy: -117.150 bonds (distance) P-C4' energy: -99.750 flat angles C4'-P-C4' energy: -133.911 flat angles P-C4'-P energy: -91.956 tors. eta vs tors. theta energy: -177.275 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: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1970.593320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.593320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.593320 (E_RNA) where: Base-Base interactions energy: -1338.178 where: short stacking energy: -584.975 Base-Backbone interact. energy: -0.926 local terms energy: -631.489089 where: bonds (distance) C4'-P energy: -104.686 bonds (distance) P-C4' energy: -126.747 flat angles C4'-P-C4' energy: -132.648 flat angles P-C4'-P energy: -89.645 tors. eta vs tors. theta energy: -177.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1782.800111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.800111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.800111 (E_RNA) where: Base-Base interactions energy: -1197.897 where: short stacking energy: -516.901 Base-Backbone interact. energy: -3.017 local terms energy: -581.886819 where: bonds (distance) C4'-P energy: -112.178 bonds (distance) P-C4' energy: -107.936 flat angles C4'-P-C4' energy: -131.246 flat angles P-C4'-P energy: -85.230 tors. eta vs tors. theta energy: -145.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1719.562764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.562764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.562764 (E_RNA) where: Base-Base interactions energy: -1143.780 where: short stacking energy: -492.577 Base-Backbone interact. energy: -0.424 local terms energy: -575.358344 where: bonds (distance) C4'-P energy: -107.800 bonds (distance) P-C4' energy: -119.324 flat angles C4'-P-C4' energy: -121.833 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: -149.268 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: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1623.504759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.504759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.504759 (E_RNA) where: Base-Base interactions energy: -1099.237 where: short stacking energy: -473.794 Base-Backbone interact. energy: -2.395 local terms energy: -521.872399 where: bonds (distance) C4'-P energy: -91.057 bonds (distance) P-C4' energy: -112.409 flat angles C4'-P-C4' energy: -123.206 flat angles P-C4'-P energy: -75.534 tors. eta vs tors. theta energy: -119.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1456.293665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.293665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.293665 (E_RNA) where: Base-Base interactions energy: -944.403 where: short stacking energy: -417.291 Base-Backbone interact. energy: 2.108 local terms energy: -513.999260 where: bonds (distance) C4'-P energy: -92.339 bonds (distance) P-C4' energy: -97.863 flat angles C4'-P-C4' energy: -129.414 flat angles P-C4'-P energy: -83.852 tors. eta vs tors. theta energy: -110.532 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: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1207.670795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.670795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.670795 (E_RNA) where: Base-Base interactions energy: -782.702 where: short stacking energy: -332.213 Base-Backbone interact. energy: -1.112 local terms energy: -423.857070 where: bonds (distance) C4'-P energy: -102.116 bonds (distance) P-C4' energy: -91.958 flat angles C4'-P-C4' energy: -100.420 flat angles P-C4'-P energy: -65.796 tors. eta vs tors. theta energy: -63.566 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: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1125.163784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.163784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.163784 (E_RNA) where: Base-Base interactions energy: -682.491 where: short stacking energy: -329.323 Base-Backbone interact. energy: -4.362 local terms energy: -438.311149 where: bonds (distance) C4'-P energy: -94.863 bonds (distance) P-C4' energy: -111.557 flat angles C4'-P-C4' energy: -101.334 flat angles P-C4'-P energy: -64.102 tors. eta vs tors. theta energy: -66.455 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: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -695.685514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.685514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.685514 (E_RNA) where: Base-Base interactions energy: -373.527 where: short stacking energy: -197.787 Base-Backbone interact. energy: 3.355 local terms energy: -325.513342 where: bonds (distance) C4'-P energy: -99.703 bonds (distance) P-C4' energy: -91.768 flat angles C4'-P-C4' energy: -65.530 flat angles P-C4'-P energy: -56.247 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: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -459.347639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.347639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.347639 (E_RNA) where: Base-Base interactions energy: -149.908 where: short stacking energy: -131.854 Base-Backbone interact. energy: -1.775 local terms energy: -307.663845 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -81.351 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: 8.351 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: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2041.335614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.335614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.335614 (E_RNA) where: Base-Base interactions energy: -1391.655 where: short stacking energy: -623.715 Base-Backbone interact. energy: -2.128 local terms energy: -647.552675 where: bonds (distance) C4'-P energy: -121.566 bonds (distance) P-C4' energy: -118.992 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -88.945 tors. eta vs tors. theta energy: -179.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1977.599128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.599128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.599128 (E_RNA) where: Base-Base interactions energy: -1375.785 where: short stacking energy: -608.738 Base-Backbone interact. energy: -2.754 local terms energy: -599.059609 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -115.710 flat angles C4'-P-C4' energy: -124.950 flat angles P-C4'-P energy: -78.558 tors. eta vs tors. theta energy: -169.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1805.846505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.846505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.846505 (E_RNA) where: Base-Base interactions energy: -1211.367 where: short stacking energy: -520.472 Base-Backbone interact. energy: -5.157 local terms energy: -589.322304 where: bonds (distance) C4'-P energy: -113.190 bonds (distance) P-C4' energy: -110.005 flat angles C4'-P-C4' energy: -121.126 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: -164.634 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: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1761.668917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.668917 (E_RNA) where: Base-Base interactions energy: -1181.999 where: short stacking energy: -521.847 Base-Backbone interact. energy: -1.405 local terms energy: -578.265017 where: bonds (distance) C4'-P energy: -112.727 bonds (distance) P-C4' energy: -96.830 flat angles C4'-P-C4' energy: -126.570 flat angles P-C4'-P energy: -85.371 tors. eta vs tors. theta energy: -156.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1649.619071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.619071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.619071 (E_RNA) where: Base-Base interactions energy: -1099.297 where: short stacking energy: -470.375 Base-Backbone interact. energy: -2.287 local terms energy: -548.035579 where: bonds (distance) C4'-P energy: -98.444 bonds (distance) P-C4' energy: -110.314 flat angles C4'-P-C4' energy: -115.908 flat angles P-C4'-P energy: -82.958 tors. eta vs tors. theta energy: -140.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1507.150227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.150227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.150227 (E_RNA) where: Base-Base interactions energy: -977.280 where: short stacking energy: -419.311 Base-Backbone interact. energy: -2.860 local terms energy: -527.010258 where: bonds (distance) C4'-P energy: -99.424 bonds (distance) P-C4' energy: -121.205 flat angles C4'-P-C4' energy: -115.794 flat angles P-C4'-P energy: -75.125 tors. eta vs tors. theta energy: -115.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1254.886528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.886528 (E_RNA) where: Base-Base interactions energy: -805.885 where: short stacking energy: -386.906 Base-Backbone interact. energy: -2.358 local terms energy: -446.643636 where: bonds (distance) C4'-P energy: -90.360 bonds (distance) P-C4' energy: -88.999 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -67.482 tors. eta vs tors. theta energy: -95.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1139.349308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.349308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.349308 (E_RNA) where: Base-Base interactions energy: -720.114 where: short stacking energy: -346.539 Base-Backbone interact. energy: 1.837 local terms energy: -421.072477 where: bonds (distance) C4'-P energy: -93.957 bonds (distance) P-C4' energy: -89.377 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -72.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -708.932874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.932874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.932874 (E_RNA) where: Base-Base interactions energy: -368.681 where: short stacking energy: -205.757 Base-Backbone interact. energy: -2.221 local terms energy: -338.031229 where: bonds (distance) C4'-P energy: -90.550 bonds (distance) P-C4' energy: -94.750 flat angles C4'-P-C4' energy: -95.594 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -13.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -442.472784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.472784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.472784 (E_RNA) where: Base-Base interactions energy: -161.403 where: short stacking energy: -141.800 Base-Backbone interact. energy: 2.060 local terms energy: -283.129453 where: bonds (distance) C4'-P energy: -75.216 bonds (distance) P-C4' energy: -112.630 flat angles C4'-P-C4' energy: -77.216 flat angles P-C4'-P energy: -27.803 tors. eta vs tors. theta energy: 9.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2007.708383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.708383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.708383 (E_RNA) where: Base-Base interactions energy: -1375.256 where: short stacking energy: -621.495 Base-Backbone interact. energy: -1.550 local terms energy: -630.901923 where: bonds (distance) C4'-P energy: -111.044 bonds (distance) P-C4' energy: -124.133 flat angles C4'-P-C4' energy: -135.682 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -172.233 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: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2001.319763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.319763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.319763 (E_RNA) where: Base-Base interactions energy: -1371.178 where: short stacking energy: -608.051 Base-Backbone interact. energy: -0.805 local terms energy: -629.336543 where: bonds (distance) C4'-P energy: -109.514 bonds (distance) P-C4' energy: -116.159 flat angles C4'-P-C4' energy: -129.422 flat angles P-C4'-P energy: -86.766 tors. eta vs tors. theta energy: -187.475 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: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1773.222946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.222946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.222946 (E_RNA) where: Base-Base interactions energy: -1193.799 where: short stacking energy: -531.367 Base-Backbone interact. energy: -3.408 local terms energy: -576.016271 where: bonds (distance) C4'-P energy: -108.924 bonds (distance) P-C4' energy: -110.462 flat angles C4'-P-C4' energy: -119.030 flat angles P-C4'-P energy: -78.444 tors. eta vs tors. theta energy: -159.157 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1736.941762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.941762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.941762 (E_RNA) where: Base-Base interactions energy: -1180.722 where: short stacking energy: -496.129 Base-Backbone interact. energy: 0.827 local terms energy: -557.046615 where: bonds (distance) C4'-P energy: -110.415 bonds (distance) P-C4' energy: -101.265 flat angles C4'-P-C4' energy: -122.898 flat angles P-C4'-P energy: -82.007 tors. eta vs tors. theta energy: -140.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1615.912437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.912437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.912437 (E_RNA) where: Base-Base interactions energy: -1119.137 where: short stacking energy: -484.136 Base-Backbone interact. energy: -3.328 local terms energy: -493.447186 where: bonds (distance) C4'-P energy: -80.891 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -124.221 flat angles P-C4'-P energy: -80.619 tors. eta vs tors. theta energy: -116.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1390.409523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.409523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.409523 (E_RNA) where: Base-Base interactions energy: -916.256 where: short stacking energy: -406.513 Base-Backbone interact. energy: -3.603 local terms energy: -470.550451 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -106.670 flat angles C4'-P-C4' energy: -102.345 flat angles P-C4'-P energy: -73.281 tors. eta vs tors. theta energy: -97.628 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: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1268.748000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.748000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.748000 (E_RNA) where: Base-Base interactions energy: -821.514 where: short stacking energy: -370.979 Base-Backbone interact. energy: 0.921 local terms energy: -448.154689 where: bonds (distance) C4'-P energy: -84.430 bonds (distance) P-C4' energy: -100.508 flat angles C4'-P-C4' energy: -102.691 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -97.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1184.734227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.734227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.734227 (E_RNA) where: Base-Base interactions energy: -749.233 where: short stacking energy: -359.981 Base-Backbone interact. energy: -0.696 local terms energy: -434.804926 where: bonds (distance) C4'-P energy: -94.963 bonds (distance) P-C4' energy: -98.614 flat angles C4'-P-C4' energy: -98.820 flat angles P-C4'-P energy: -58.785 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: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -710.143606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.143606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.143606 (E_RNA) where: Base-Base interactions energy: -362.662 where: short stacking energy: -215.443 Base-Backbone interact. energy: -0.156 local terms energy: -347.324965 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -81.720 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -53.936 tors. eta vs tors. theta energy: -29.486 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: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -468.748672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.748672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.748672 (E_RNA) where: Base-Base interactions energy: -176.583 where: short stacking energy: -146.822 Base-Backbone interact. energy: -0.412 local terms energy: -291.753818 where: bonds (distance) C4'-P energy: -78.787 bonds (distance) P-C4' energy: -98.273 flat angles C4'-P-C4' energy: -70.458 flat angles P-C4'-P energy: -45.860 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1977.231657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.231657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.231657 (E_RNA) where: Base-Base interactions energy: -1370.768 where: short stacking energy: -597.573 Base-Backbone interact. energy: -1.113 local terms energy: -605.350879 where: bonds (distance) C4'-P energy: -113.611 bonds (distance) P-C4' energy: -112.097 flat angles C4'-P-C4' energy: -128.130 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -168.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1956.280185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.280185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.280185 (E_RNA) where: Base-Base interactions energy: -1325.103 where: short stacking energy: -578.782 Base-Backbone interact. energy: 0.320 local terms energy: -631.496682 where: bonds (distance) C4'-P energy: -112.679 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -140.577 flat angles P-C4'-P energy: -71.966 tors. eta vs tors. theta energy: -186.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1811.210918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.210918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.210918 (E_RNA) where: Base-Base interactions energy: -1223.464 where: short stacking energy: -534.128 Base-Backbone interact. energy: -1.823 local terms energy: -585.923891 where: bonds (distance) C4'-P energy: -101.795 bonds (distance) P-C4' energy: -116.851 flat angles C4'-P-C4' energy: -118.695 flat angles P-C4'-P energy: -80.929 tors. eta vs tors. theta energy: -167.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1752.221152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.221152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.221152 (E_RNA) where: Base-Base interactions energy: -1178.670 where: short stacking energy: -492.916 Base-Backbone interact. energy: -2.020 local terms energy: -571.531468 where: bonds (distance) C4'-P energy: -100.146 bonds (distance) P-C4' energy: -117.460 flat angles C4'-P-C4' energy: -121.531 flat angles P-C4'-P energy: -78.314 tors. eta vs tors. theta energy: -154.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1606.943267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.943267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.943267 (E_RNA) where: Base-Base interactions energy: -1133.285 where: short stacking energy: -455.495 Base-Backbone interact. energy: 1.059 local terms energy: -474.717864 where: bonds (distance) C4'-P energy: -83.952 bonds (distance) P-C4' energy: -109.921 flat angles C4'-P-C4' energy: -109.521 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -110.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1382.091538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.091538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.091538 (E_RNA) where: Base-Base interactions energy: -906.397 where: short stacking energy: -418.741 Base-Backbone interact. energy: 0.186 local terms energy: -475.880159 where: bonds (distance) C4'-P energy: -97.210 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -100.528 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -108.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1243.573282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.573282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.573282 (E_RNA) where: Base-Base interactions energy: -792.794 where: short stacking energy: -353.408 Base-Backbone interact. energy: -3.208 local terms energy: -447.571474 where: bonds (distance) C4'-P energy: -79.742 bonds (distance) P-C4' energy: -104.029 flat angles C4'-P-C4' energy: -108.553 flat angles P-C4'-P energy: -59.214 tors. eta vs tors. theta energy: -96.034 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: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1135.312999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.312999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.312999 (E_RNA) where: Base-Base interactions energy: -709.074 where: short stacking energy: -332.445 Base-Backbone interact. energy: -1.200 local terms energy: -425.039033 where: bonds (distance) C4'-P energy: -89.540 bonds (distance) P-C4' energy: -95.409 flat angles C4'-P-C4' energy: -99.540 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -72.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -660.264371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.264371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.264371 (E_RNA) where: Base-Base interactions energy: -342.575 where: short stacking energy: -194.976 Base-Backbone interact. energy: 0.633 local terms energy: -318.322193 where: bonds (distance) C4'-P energy: -79.690 bonds (distance) P-C4' energy: -103.523 flat angles C4'-P-C4' energy: -83.926 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -502.715573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.715573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.715573 (E_RNA) where: Base-Base interactions energy: -175.279 where: short stacking energy: -131.383 Base-Backbone interact. energy: 0.432 local terms energy: -327.868653 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -88.023 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: 7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1982.529967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.529967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.529967 (E_RNA) where: Base-Base interactions energy: -1340.691 where: short stacking energy: -585.674 Base-Backbone interact. energy: -3.373 local terms energy: -638.466123 where: bonds (distance) C4'-P energy: -106.076 bonds (distance) P-C4' energy: -122.524 flat angles C4'-P-C4' energy: -137.665 flat angles P-C4'-P energy: -87.754 tors. eta vs tors. theta energy: -184.447 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: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1960.297091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.297091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.297091 (E_RNA) where: Base-Base interactions energy: -1348.037 where: short stacking energy: -600.791 Base-Backbone interact. energy: -1.467 local terms energy: -610.792634 where: bonds (distance) C4'-P energy: -112.266 bonds (distance) P-C4' energy: -110.429 flat angles C4'-P-C4' energy: -129.191 flat angles P-C4'-P energy: -77.249 tors. eta vs tors. theta energy: -181.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1827.324299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.324299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.324299 (E_RNA) where: Base-Base interactions energy: -1235.658 where: short stacking energy: -545.275 Base-Backbone interact. energy: -4.672 local terms energy: -586.994272 where: bonds (distance) C4'-P energy: -105.060 bonds (distance) P-C4' energy: -100.117 flat angles C4'-P-C4' energy: -124.880 flat angles P-C4'-P energy: -83.591 tors. eta vs tors. theta energy: -173.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1745.092808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.092808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.092808 (E_RNA) where: Base-Base interactions energy: -1166.952 where: short stacking energy: -506.105 Base-Backbone interact. energy: 1.963 local terms energy: -580.102981 where: bonds (distance) C4'-P energy: -123.369 bonds (distance) P-C4' energy: -105.194 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -75.844 tors. eta vs tors. theta energy: -150.749 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: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1561.465020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.465020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.465020 (E_RNA) where: Base-Base interactions energy: -1037.070 where: short stacking energy: -460.356 Base-Backbone interact. energy: -1.689 local terms energy: -522.706192 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -110.678 flat angles P-C4'-P energy: -70.467 tors. eta vs tors. theta energy: -131.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1394.168411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.168411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.168411 (E_RNA) where: Base-Base interactions energy: -946.418 where: short stacking energy: -398.242 Base-Backbone interact. energy: -2.003 local terms energy: -445.748004 where: bonds (distance) C4'-P energy: -85.158 bonds (distance) P-C4' energy: -89.597 flat angles C4'-P-C4' energy: -117.280 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: -92.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1249.431521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.431521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.431521 (E_RNA) where: Base-Base interactions energy: -775.085 where: short stacking energy: -366.920 Base-Backbone interact. energy: -1.412 local terms energy: -472.934467 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -102.381 flat angles C4'-P-C4' energy: -115.456 flat angles P-C4'-P energy: -63.676 tors. eta vs tors. theta energy: -91.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1102.700445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.700445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.700445 (E_RNA) where: Base-Base interactions energy: -710.944 where: short stacking energy: -304.295 Base-Backbone interact. energy: -2.326 local terms energy: -389.430097 where: bonds (distance) C4'-P energy: -96.320 bonds (distance) P-C4' energy: -90.445 flat angles C4'-P-C4' energy: -99.071 flat angles P-C4'-P energy: -54.342 tors. eta vs tors. theta energy: -49.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -671.087810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.087810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.087810 (E_RNA) where: Base-Base interactions energy: -335.804 where: short stacking energy: -191.911 Base-Backbone interact. energy: -0.504 local terms energy: -334.779144 where: bonds (distance) C4'-P energy: -101.216 bonds (distance) P-C4' energy: -90.786 flat angles C4'-P-C4' energy: -88.810 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: -12.833 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: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -460.002238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.002238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.002238 (E_RNA) where: Base-Base interactions energy: -175.507 where: short stacking energy: -128.877 Base-Backbone interact. energy: 2.321 local terms energy: -286.817086 where: bonds (distance) C4'-P energy: -79.332 bonds (distance) P-C4' energy: -78.969 flat angles C4'-P-C4' energy: -95.182 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: 15.308 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: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2009.142051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.142051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.142051 (E_RNA) where: Base-Base interactions energy: -1366.953 where: short stacking energy: -623.664 Base-Backbone interact. energy: -5.107 local terms energy: -637.081769 where: bonds (distance) C4'-P energy: -116.110 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -140.763 flat angles P-C4'-P energy: -84.826 tors. eta vs tors. theta energy: -180.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1952.286844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.286844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.286844 (E_RNA) where: Base-Base interactions energy: -1318.142 where: short stacking energy: -580.601 Base-Backbone interact. energy: -2.493 local terms energy: -631.652312 where: bonds (distance) C4'-P energy: -114.345 bonds (distance) P-C4' energy: -117.969 flat angles C4'-P-C4' energy: -131.227 flat angles P-C4'-P energy: -88.573 tors. eta vs tors. theta energy: -179.538 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1838.327921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.327921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.327921 (E_RNA) where: Base-Base interactions energy: -1227.659 where: short stacking energy: -543.244 Base-Backbone interact. energy: -2.826 local terms energy: -607.842541 where: bonds (distance) C4'-P energy: -113.829 bonds (distance) P-C4' energy: -129.093 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -164.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1766.138797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.138797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.138797 (E_RNA) where: Base-Base interactions energy: -1211.478 where: short stacking energy: -541.865 Base-Backbone interact. energy: -0.752 local terms energy: -553.908926 where: bonds (distance) C4'-P energy: -90.413 bonds (distance) P-C4' energy: -106.726 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -70.893 tors. eta vs tors. theta energy: -156.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1555.015136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.015136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.015136 (E_RNA) where: Base-Base interactions energy: -1052.656 where: short stacking energy: -447.994 Base-Backbone interact. energy: 0.364 local terms energy: -502.723120 where: bonds (distance) C4'-P energy: -98.660 bonds (distance) P-C4' energy: -106.072 flat angles C4'-P-C4' energy: -110.743 flat angles P-C4'-P energy: -69.872 tors. eta vs tors. theta energy: -117.376 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: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1441.950786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.950786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.950786 (E_RNA) where: Base-Base interactions energy: -983.488 where: short stacking energy: -394.680 Base-Backbone interact. energy: -4.039 local terms energy: -454.423790 where: bonds (distance) C4'-P energy: -99.102 bonds (distance) P-C4' energy: -100.405 flat angles C4'-P-C4' energy: -104.176 flat angles P-C4'-P energy: -61.348 tors. eta vs tors. theta energy: -89.392 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: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1274.096672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.096672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.096672 (E_RNA) where: Base-Base interactions energy: -828.449 where: short stacking energy: -385.823 Base-Backbone interact. energy: -1.088 local terms energy: -444.559804 where: bonds (distance) C4'-P energy: -93.743 bonds (distance) P-C4' energy: -99.501 flat angles C4'-P-C4' energy: -105.999 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -101.625 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: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1100.912996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.912996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.912996 (E_RNA) where: Base-Base interactions energy: -678.108 where: short stacking energy: -316.647 Base-Backbone interact. energy: 3.429 local terms energy: -426.233822 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -102.800 flat angles C4'-P-C4' energy: -93.559 flat angles P-C4'-P energy: -72.393 tors. eta vs tors. theta energy: -60.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -623.704131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.704131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.704131 (E_RNA) where: Base-Base interactions energy: -291.316 where: short stacking energy: -199.471 Base-Backbone interact. energy: -0.177 local terms energy: -332.211904 where: bonds (distance) C4'-P energy: -90.406 bonds (distance) P-C4' energy: -97.732 flat angles C4'-P-C4' energy: -92.337 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -9.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -483.225337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.225337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.225337 (E_RNA) where: Base-Base interactions energy: -180.673 where: short stacking energy: -117.476 Base-Backbone interact. energy: -0.988 local terms energy: -301.563753 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -77.664 flat angles C4'-P-C4' energy: -81.919 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: 9.422 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: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2011.117421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.117421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.117421 (E_RNA) where: Base-Base interactions energy: -1371.294 where: short stacking energy: -604.042 Base-Backbone interact. energy: -1.873 local terms energy: -637.951131 where: bonds (distance) C4'-P energy: -119.740 bonds (distance) P-C4' energy: -115.427 flat angles C4'-P-C4' energy: -128.220 flat angles P-C4'-P energy: -94.276 tors. eta vs tors. theta energy: -180.288 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: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1952.645139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.645139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.645139 (E_RNA) where: Base-Base interactions energy: -1355.161 where: short stacking energy: -580.727 Base-Backbone interact. energy: -2.234 local terms energy: -595.249472 where: bonds (distance) C4'-P energy: -115.653 bonds (distance) P-C4' energy: -99.244 flat angles C4'-P-C4' energy: -128.143 flat angles P-C4'-P energy: -87.626 tors. eta vs tors. theta energy: -164.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1833.450267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.450267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.450267 (E_RNA) where: Base-Base interactions energy: -1259.209 where: short stacking energy: -566.037 Base-Backbone interact. energy: 0.481 local terms energy: -574.721515 where: bonds (distance) C4'-P energy: -99.890 bonds (distance) P-C4' energy: -107.323 flat angles C4'-P-C4' energy: -115.837 flat angles P-C4'-P energy: -74.584 tors. eta vs tors. theta energy: -177.087 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: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1728.662859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.662859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.662859 (E_RNA) where: Base-Base interactions energy: -1165.160 where: short stacking energy: -486.675 Base-Backbone interact. energy: -1.693 local terms energy: -561.809933 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -105.336 flat angles C4'-P-C4' energy: -116.437 flat angles P-C4'-P energy: -76.689 tors. eta vs tors. theta energy: -147.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1567.644722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.644722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.644722 (E_RNA) where: Base-Base interactions energy: -1053.431 where: short stacking energy: -452.513 Base-Backbone interact. energy: -1.639 local terms energy: -512.574358 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -112.772 flat angles C4'-P-C4' energy: -102.209 flat angles P-C4'-P energy: -66.433 tors. eta vs tors. theta energy: -131.562 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: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1412.896533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.896533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.896533 (E_RNA) where: Base-Base interactions energy: -949.419 where: short stacking energy: -424.041 Base-Backbone interact. energy: -3.438 local terms energy: -460.039872 where: bonds (distance) C4'-P energy: -82.872 bonds (distance) P-C4' energy: -106.038 flat angles C4'-P-C4' energy: -109.153 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: -100.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1203.616812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.616812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.616812 (E_RNA) where: Base-Base interactions energy: -760.475 where: short stacking energy: -348.912 Base-Backbone interact. energy: 0.026 local terms energy: -443.168086 where: bonds (distance) C4'-P energy: -92.583 bonds (distance) P-C4' energy: -93.617 flat angles C4'-P-C4' energy: -106.423 flat angles P-C4'-P energy: -66.197 tors. eta vs tors. theta energy: -84.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1120.721294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.721294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.721294 (E_RNA) where: Base-Base interactions energy: -717.935 where: short stacking energy: -324.977 Base-Backbone interact. energy: -0.680 local terms energy: -402.105510 where: bonds (distance) C4'-P energy: -94.369 bonds (distance) P-C4' energy: -95.881 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: -58.741 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: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -621.175453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.175453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.175453 (E_RNA) where: Base-Base interactions energy: -301.567 where: short stacking energy: -195.340 Base-Backbone interact. energy: 1.912 local terms energy: -321.520253 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -88.950 flat angles C4'-P-C4' energy: -89.863 flat angles P-C4'-P energy: -28.344 tors. eta vs tors. theta energy: -13.145 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: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -587.321789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.321789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.321789 (E_RNA) where: Base-Base interactions energy: -267.472 where: short stacking energy: -171.432 Base-Backbone interact. energy: 1.620 local terms energy: -321.469566 where: bonds (distance) C4'-P energy: -99.223 bonds (distance) P-C4' energy: -104.518 flat angles C4'-P-C4' energy: -80.064 flat angles P-C4'-P energy: -48.324 tors. eta vs tors. theta energy: 10.659 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: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2008.098086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.098086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.098086 (E_RNA) where: Base-Base interactions energy: -1371.208 where: short stacking energy: -604.676 Base-Backbone interact. energy: -0.909 local terms energy: -635.981534 where: bonds (distance) C4'-P energy: -121.299 bonds (distance) P-C4' energy: -121.433 flat angles C4'-P-C4' energy: -125.609 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -180.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1946.656645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.656645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.656645 (E_RNA) where: Base-Base interactions energy: -1325.830 where: short stacking energy: -575.161 Base-Backbone interact. energy: -1.407 local terms energy: -619.419590 where: bonds (distance) C4'-P energy: -108.522 bonds (distance) P-C4' energy: -117.008 flat angles C4'-P-C4' energy: -140.441 flat angles P-C4'-P energy: -83.061 tors. eta vs tors. theta energy: -170.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1767.204462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.204462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.204462 (E_RNA) where: Base-Base interactions energy: -1212.909 where: short stacking energy: -521.909 Base-Backbone interact. energy: -2.707 local terms energy: -551.588989 where: bonds (distance) C4'-P energy: -96.409 bonds (distance) P-C4' energy: -118.348 flat angles C4'-P-C4' energy: -124.937 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -141.052 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: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1779.583428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.583428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.583428 (E_RNA) where: Base-Base interactions energy: -1212.893 where: short stacking energy: -529.197 Base-Backbone interact. energy: 0.929 local terms energy: -567.619993 where: bonds (distance) C4'-P energy: -109.267 bonds (distance) P-C4' energy: -119.672 flat angles C4'-P-C4' energy: -105.692 flat angles P-C4'-P energy: -73.341 tors. eta vs tors. theta energy: -159.648 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: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1551.188673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.188673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.188673 (E_RNA) where: Base-Base interactions energy: -1055.189 where: short stacking energy: -443.368 Base-Backbone interact. energy: -0.106 local terms energy: -495.893596 where: bonds (distance) C4'-P energy: -105.396 bonds (distance) P-C4' energy: -85.195 flat angles C4'-P-C4' energy: -117.651 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -116.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1477.162978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.162978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.162978 (E_RNA) where: Base-Base interactions energy: -982.039 where: short stacking energy: -441.300 Base-Backbone interact. energy: 1.396 local terms energy: -496.519908 where: bonds (distance) C4'-P energy: -96.184 bonds (distance) P-C4' energy: -102.794 flat angles C4'-P-C4' energy: -115.334 flat angles P-C4'-P energy: -66.973 tors. eta vs tors. theta energy: -115.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1245.438252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.438252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.438252 (E_RNA) where: Base-Base interactions energy: -782.604 where: short stacking energy: -339.125 Base-Backbone interact. energy: -0.957 local terms energy: -461.876518 where: bonds (distance) C4'-P energy: -89.494 bonds (distance) P-C4' energy: -98.398 flat angles C4'-P-C4' energy: -109.976 flat angles P-C4'-P energy: -74.302 tors. eta vs tors. theta energy: -89.707 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: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1138.650401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.650401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.650401 (E_RNA) where: Base-Base interactions energy: -721.165 where: short stacking energy: -349.385 Base-Backbone interact. energy: 0.406 local terms energy: -417.891658 where: bonds (distance) C4'-P energy: -88.559 bonds (distance) P-C4' energy: -96.893 flat angles C4'-P-C4' energy: -108.687 flat angles P-C4'-P energy: -56.682 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: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -703.655823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.655823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.655823 (E_RNA) where: Base-Base interactions energy: -345.614 where: short stacking energy: -201.364 Base-Backbone interact. energy: -4.049 local terms energy: -353.993214 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -97.011 flat angles C4'-P-C4' energy: -92.995 flat angles P-C4'-P energy: -53.763 tors. eta vs tors. theta energy: -19.870 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: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -545.334570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.334570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.334570 (E_RNA) where: Base-Base interactions energy: -264.537 where: short stacking energy: -169.938 Base-Backbone interact. energy: 1.982 local terms energy: -282.779172 where: bonds (distance) C4'-P energy: -91.522 bonds (distance) P-C4' energy: -99.386 flat angles C4'-P-C4' energy: -89.737 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: 32.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2002.959947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.959947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.959947 (E_RNA) where: Base-Base interactions energy: -1354.281 where: short stacking energy: -611.582 Base-Backbone interact. energy: 0.222 local terms energy: -648.901702 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -120.204 flat angles C4'-P-C4' energy: -137.065 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -181.357 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: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1951.168830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.168830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.168830 (E_RNA) where: Base-Base interactions energy: -1341.712 where: short stacking energy: -598.667 Base-Backbone interact. energy: -2.470 local terms energy: -606.987198 where: bonds (distance) C4'-P energy: -107.433 bonds (distance) P-C4' energy: -103.698 flat angles C4'-P-C4' energy: -132.357 flat angles P-C4'-P energy: -87.637 tors. eta vs tors. theta energy: -175.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1784.024276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.024276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.024276 (E_RNA) where: Base-Base interactions energy: -1211.704 where: short stacking energy: -551.954 Base-Backbone interact. energy: -1.913 local terms energy: -570.407789 where: bonds (distance) C4'-P energy: -95.904 bonds (distance) P-C4' energy: -113.344 flat angles C4'-P-C4' energy: -129.686 flat angles P-C4'-P energy: -76.282 tors. eta vs tors. theta energy: -155.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1743.428916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.428916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.428916 (E_RNA) where: Base-Base interactions energy: -1168.220 where: short stacking energy: -495.066 Base-Backbone interact. energy: -1.737 local terms energy: -573.472173 where: bonds (distance) C4'-P energy: -109.721 bonds (distance) P-C4' energy: -111.530 flat angles C4'-P-C4' energy: -116.550 flat angles P-C4'-P energy: -74.947 tors. eta vs tors. theta energy: -160.725 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: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1599.107422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.107422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.107422 (E_RNA) where: Base-Base interactions energy: -1062.370 where: short stacking energy: -466.435 Base-Backbone interact. energy: -4.585 local terms energy: -532.152337 where: bonds (distance) C4'-P energy: -94.656 bonds (distance) P-C4' energy: -111.321 flat angles C4'-P-C4' energy: -123.498 flat angles P-C4'-P energy: -74.235 tors. eta vs tors. theta energy: -128.443 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: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1485.731890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.731890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.731890 (E_RNA) where: Base-Base interactions energy: -980.254 where: short stacking energy: -448.335 Base-Backbone interact. energy: -0.769 local terms energy: -504.708491 where: bonds (distance) C4'-P energy: -86.182 bonds (distance) P-C4' energy: -95.108 flat angles C4'-P-C4' energy: -126.066 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: -122.579 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: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1236.188548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.188548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.188548 (E_RNA) where: Base-Base interactions energy: -792.552 where: short stacking energy: -372.013 Base-Backbone interact. energy: -0.890 local terms energy: -442.746956 where: bonds (distance) C4'-P energy: -100.833 bonds (distance) P-C4' energy: -99.112 flat angles C4'-P-C4' energy: -86.635 flat angles P-C4'-P energy: -64.344 tors. eta vs tors. theta energy: -91.823 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: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1109.227400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.227400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.227400 (E_RNA) where: Base-Base interactions energy: -693.921 where: short stacking energy: -329.234 Base-Backbone interact. energy: -1.785 local terms energy: -413.521014 where: bonds (distance) C4'-P energy: -97.729 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -80.597 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -66.111 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: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -699.906796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.906796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.906796 (E_RNA) where: Base-Base interactions energy: -344.296 where: short stacking energy: -184.502 Base-Backbone interact. energy: -3.217 local terms energy: -352.393265 where: bonds (distance) C4'-P energy: -92.011 bonds (distance) P-C4' energy: -102.391 flat angles C4'-P-C4' energy: -92.889 flat angles P-C4'-P energy: -55.368 tors. eta vs tors. theta energy: -9.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -564.858551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.858551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.858551 (E_RNA) where: Base-Base interactions energy: -255.234 where: short stacking energy: -157.375 Base-Backbone interact. energy: -0.913 local terms energy: -308.711714 where: bonds (distance) C4'-P energy: -86.316 bonds (distance) P-C4' energy: -78.465 flat angles C4'-P-C4' energy: -85.635 flat angles P-C4'-P energy: -47.769 tors. eta vs tors. theta energy: -10.527 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: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2000.111247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.111247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.111247 (E_RNA) where: Base-Base interactions energy: -1380.857 where: short stacking energy: -584.991 Base-Backbone interact. energy: -1.776 local terms energy: -617.478031 where: bonds (distance) C4'-P energy: -105.444 bonds (distance) P-C4' energy: -125.632 flat angles C4'-P-C4' energy: -129.170 flat angles P-C4'-P energy: -86.518 tors. eta vs tors. theta energy: -170.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1957.426483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.426483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.426483 (E_RNA) where: Base-Base interactions energy: -1326.151 where: short stacking energy: -600.408 Base-Backbone interact. energy: 0.182 local terms energy: -631.457893 where: bonds (distance) C4'-P energy: -112.359 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -132.251 flat angles P-C4'-P energy: -86.051 tors. eta vs tors. theta energy: -184.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1799.876515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.876515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.876515 (E_RNA) where: Base-Base interactions energy: -1225.876 where: short stacking energy: -514.428 Base-Backbone interact. energy: -4.069 local terms energy: -569.931316 where: bonds (distance) C4'-P energy: -113.883 bonds (distance) P-C4' energy: -108.339 flat angles C4'-P-C4' energy: -109.213 flat angles P-C4'-P energy: -81.400 tors. eta vs tors. theta energy: -157.096 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1746.586961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.586961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.586961 (E_RNA) where: Base-Base interactions energy: -1202.238 where: short stacking energy: -511.220 Base-Backbone interact. energy: -3.452 local terms energy: -540.896504 where: bonds (distance) C4'-P energy: -102.343 bonds (distance) P-C4' energy: -110.860 flat angles C4'-P-C4' energy: -107.499 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -149.879 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: 1 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1638.424616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.424616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.424616 (E_RNA) where: Base-Base interactions energy: -1122.255 where: short stacking energy: -474.712 Base-Backbone interact. energy: 0.018 local terms energy: -516.188370 where: bonds (distance) C4'-P energy: -105.439 bonds (distance) P-C4' energy: -101.543 flat angles C4'-P-C4' energy: -119.983 flat angles P-C4'-P energy: -65.258 tors. eta vs tors. theta energy: -123.966 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: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1429.356310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.356310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.356310 (E_RNA) where: Base-Base interactions energy: -953.444 where: short stacking energy: -392.543 Base-Backbone interact. energy: -2.838 local terms energy: -473.074498 where: bonds (distance) C4'-P energy: -106.096 bonds (distance) P-C4' energy: -86.409 flat angles C4'-P-C4' energy: -117.403 flat angles P-C4'-P energy: -69.798 tors. eta vs tors. theta energy: -93.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1258.463414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.463414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.463414 (E_RNA) where: Base-Base interactions energy: -807.417 where: short stacking energy: -394.624 Base-Backbone interact. energy: 2.169 local terms energy: -453.215433 where: bonds (distance) C4'-P energy: -93.713 bonds (distance) P-C4' energy: -104.715 flat angles C4'-P-C4' energy: -102.158 flat angles P-C4'-P energy: -55.404 tors. eta vs tors. theta energy: -97.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1137.296155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.296155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.296155 (E_RNA) where: Base-Base interactions energy: -689.434 where: short stacking energy: -331.116 Base-Backbone interact. energy: 0.721 local terms energy: -448.583311 where: bonds (distance) C4'-P energy: -102.525 bonds (distance) P-C4' energy: -109.513 flat angles C4'-P-C4' energy: -97.069 flat angles P-C4'-P energy: -63.784 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: 9, replica: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -707.941300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.941300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.941300 (E_RNA) where: Base-Base interactions energy: -367.888 where: short stacking energy: -212.691 Base-Backbone interact. energy: -0.825 local terms energy: -339.228684 where: bonds (distance) C4'-P energy: -90.413 bonds (distance) P-C4' energy: -110.511 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -40.810 tors. eta vs tors. theta energy: -11.879 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: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -575.234521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.234521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.234521 (E_RNA) where: Base-Base interactions energy: -266.057 where: short stacking energy: -163.663 Base-Backbone interact. energy: -1.131 local terms energy: -308.046621 where: bonds (distance) C4'-P energy: -87.768 bonds (distance) P-C4' energy: -109.065 flat angles C4'-P-C4' energy: -81.761 flat angles P-C4'-P energy: -27.035 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2033.523946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.523946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.523946 (E_RNA) where: Base-Base interactions energy: -1382.615 where: short stacking energy: -616.101 Base-Backbone interact. energy: -2.889 local terms energy: -648.020303 where: bonds (distance) C4'-P energy: -119.411 bonds (distance) P-C4' energy: -118.196 flat angles C4'-P-C4' energy: -131.681 flat angles P-C4'-P energy: -90.523 tors. eta vs tors. theta energy: -188.208 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: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1946.309324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.309324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.309324 (E_RNA) where: Base-Base interactions energy: -1335.036 where: short stacking energy: -591.116 Base-Backbone interact. energy: -1.113 local terms energy: -610.160069 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -109.676 flat angles C4'-P-C4' energy: -127.874 flat angles P-C4'-P energy: -77.528 tors. eta vs tors. theta energy: -176.813 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: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1787.254176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.254176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.254176 (E_RNA) where: Base-Base interactions energy: -1223.218 where: short stacking energy: -521.828 Base-Backbone interact. energy: -1.222 local terms energy: -562.814643 where: bonds (distance) C4'-P energy: -106.362 bonds (distance) P-C4' energy: -118.520 flat angles C4'-P-C4' energy: -120.598 flat angles P-C4'-P energy: -66.192 tors. eta vs tors. theta energy: -151.143 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: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1769.456886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.456886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.456886 (E_RNA) where: Base-Base interactions energy: -1166.077 where: short stacking energy: -555.256 Base-Backbone interact. energy: -3.658 local terms energy: -599.722221 where: bonds (distance) C4'-P energy: -102.710 bonds (distance) P-C4' energy: -119.101 flat angles C4'-P-C4' energy: -121.220 flat angles P-C4'-P energy: -87.052 tors. eta vs tors. theta energy: -169.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1601.611220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.611220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.611220 (E_RNA) where: Base-Base interactions energy: -1103.889 where: short stacking energy: -457.356 Base-Backbone interact. energy: -0.019 local terms energy: -497.703528 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -99.614 flat angles C4'-P-C4' energy: -102.161 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: -114.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1438.366170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.366170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.366170 (E_RNA) where: Base-Base interactions energy: -944.492 where: short stacking energy: -388.723 Base-Backbone interact. energy: -0.943 local terms energy: -492.931290 where: bonds (distance) C4'-P energy: -110.146 bonds (distance) P-C4' energy: -96.788 flat angles C4'-P-C4' energy: -102.363 flat angles P-C4'-P energy: -74.972 tors. eta vs tors. theta energy: -108.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1266.692531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.692531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.692531 (E_RNA) where: Base-Base interactions energy: -811.534 where: short stacking energy: -368.329 Base-Backbone interact. energy: -1.884 local terms energy: -453.274050 where: bonds (distance) C4'-P energy: -92.815 bonds (distance) P-C4' energy: -102.520 flat angles C4'-P-C4' energy: -111.811 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -82.463 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1104.606720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.606720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.606720 (E_RNA) where: Base-Base interactions energy: -672.657 where: short stacking energy: -316.106 Base-Backbone interact. energy: -0.777 local terms energy: -431.173087 where: bonds (distance) C4'-P energy: -93.961 bonds (distance) P-C4' energy: -97.832 flat angles C4'-P-C4' energy: -111.341 flat angles P-C4'-P energy: -72.435 tors. eta vs tors. theta energy: -55.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -660.929251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.929251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.929251 (E_RNA) where: Base-Base interactions energy: -305.449 where: short stacking energy: -186.718 Base-Backbone interact. energy: -2.430 local terms energy: -353.050119 where: bonds (distance) C4'-P energy: -83.828 bonds (distance) P-C4' energy: -97.450 flat angles C4'-P-C4' energy: -104.320 flat angles P-C4'-P energy: -50.808 tors. eta vs tors. theta energy: -16.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -554.509160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.509160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.509160 (E_RNA) where: Base-Base interactions energy: -245.878 where: short stacking energy: -137.930 Base-Backbone interact. energy: 1.294 local terms energy: -309.924689 where: bonds (distance) C4'-P energy: -93.343 bonds (distance) P-C4' energy: -99.506 flat angles C4'-P-C4' energy: -83.987 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: 14.204 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: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2028.714327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.714327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.714327 (E_RNA) where: Base-Base interactions energy: -1379.923 where: short stacking energy: -619.022 Base-Backbone interact. energy: -2.816 local terms energy: -645.975241 where: bonds (distance) C4'-P energy: -115.163 bonds (distance) P-C4' energy: -120.992 flat angles C4'-P-C4' energy: -135.772 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -187.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1952.601205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.601205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.601205 (E_RNA) where: Base-Base interactions energy: -1345.930 where: short stacking energy: -583.301 Base-Backbone interact. energy: -1.200 local terms energy: -605.471537 where: bonds (distance) C4'-P energy: -103.650 bonds (distance) P-C4' energy: -116.943 flat angles C4'-P-C4' energy: -125.985 flat angles P-C4'-P energy: -82.685 tors. eta vs tors. theta energy: -176.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1818.954299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.954299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.954299 (E_RNA) where: Base-Base interactions energy: -1259.711 where: short stacking energy: -522.509 Base-Backbone interact. energy: -1.865 local terms energy: -557.377739 where: bonds (distance) C4'-P energy: -107.961 bonds (distance) P-C4' energy: -109.631 flat angles C4'-P-C4' energy: -112.204 flat angles P-C4'-P energy: -75.880 tors. eta vs tors. theta energy: -151.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1762.989275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.989275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.989275 (E_RNA) where: Base-Base interactions energy: -1200.639 where: short stacking energy: -518.403 Base-Backbone interact. energy: -3.939 local terms energy: -558.410693 where: bonds (distance) C4'-P energy: -102.213 bonds (distance) P-C4' energy: -96.531 flat angles C4'-P-C4' energy: -127.771 flat angles P-C4'-P energy: -77.871 tors. eta vs tors. theta energy: -154.025 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: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1575.878464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.878464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.878464 (E_RNA) where: Base-Base interactions energy: -1071.541 where: short stacking energy: -448.907 Base-Backbone interact. energy: -0.646 local terms energy: -503.691043 where: bonds (distance) C4'-P energy: -106.819 bonds (distance) P-C4' energy: -98.793 flat angles C4'-P-C4' energy: -111.308 flat angles P-C4'-P energy: -63.791 tors. eta vs tors. theta energy: -122.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1496.261695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.261695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.261695 (E_RNA) where: Base-Base interactions energy: -987.488 where: short stacking energy: -431.554 Base-Backbone interact. energy: 1.316 local terms energy: -510.089808 where: bonds (distance) C4'-P energy: -103.099 bonds (distance) P-C4' energy: -88.537 flat angles C4'-P-C4' energy: -129.463 flat angles P-C4'-P energy: -68.188 tors. eta vs tors. theta energy: -120.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1209.010547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.010547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.010547 (E_RNA) where: Base-Base interactions energy: -742.244 where: short stacking energy: -352.547 Base-Backbone interact. energy: -6.324 local terms energy: -460.441978 where: bonds (distance) C4'-P energy: -94.007 bonds (distance) P-C4' energy: -109.335 flat angles C4'-P-C4' energy: -114.441 flat angles P-C4'-P energy: -68.376 tors. eta vs tors. theta energy: -74.282 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: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1135.495706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.495706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.495706 (E_RNA) where: Base-Base interactions energy: -719.526 where: short stacking energy: -330.021 Base-Backbone interact. energy: 0.595 local terms energy: -416.564537 where: bonds (distance) C4'-P energy: -90.310 bonds (distance) P-C4' energy: -101.739 flat angles C4'-P-C4' energy: -111.172 flat angles P-C4'-P energy: -52.312 tors. eta vs tors. theta energy: -61.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -633.046672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.046672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.046672 (E_RNA) where: Base-Base interactions energy: -315.082 where: short stacking energy: -193.747 Base-Backbone interact. energy: 2.307 local terms energy: -320.271385 where: bonds (distance) C4'-P energy: -95.887 bonds (distance) P-C4' energy: -78.265 flat angles C4'-P-C4' energy: -106.164 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: -1.055 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: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -611.705317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.705317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.705317 (E_RNA) where: Base-Base interactions energy: -299.003 where: short stacking energy: -179.790 Base-Backbone interact. energy: 1.904 local terms energy: -314.606328 where: bonds (distance) C4'-P energy: -88.088 bonds (distance) P-C4' energy: -93.364 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: 6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2044.114684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.114684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.114684 (E_RNA) where: Base-Base interactions energy: -1386.711 where: short stacking energy: -592.549 Base-Backbone interact. energy: -3.088 local terms energy: -654.316365 where: bonds (distance) C4'-P energy: -112.767 bonds (distance) P-C4' energy: -127.145 flat angles C4'-P-C4' energy: -143.570 flat angles P-C4'-P energy: -82.431 tors. eta vs tors. theta energy: -188.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1921.277544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.277544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.277544 (E_RNA) where: Base-Base interactions energy: -1325.529 where: short stacking energy: -590.312 Base-Backbone interact. energy: -1.416 local terms energy: -594.332126 where: bonds (distance) C4'-P energy: -110.375 bonds (distance) P-C4' energy: -104.624 flat angles C4'-P-C4' energy: -134.588 flat angles P-C4'-P energy: -86.566 tors. eta vs tors. theta energy: -158.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1812.313609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.313609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.313609 (E_RNA) where: Base-Base interactions energy: -1223.887 where: short stacking energy: -530.163 Base-Backbone interact. energy: -1.674 local terms energy: -586.752668 where: bonds (distance) C4'-P energy: -106.199 bonds (distance) P-C4' energy: -116.917 flat angles C4'-P-C4' energy: -126.471 flat angles P-C4'-P energy: -81.435 tors. eta vs tors. theta energy: -155.731 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: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1752.366419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.366419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.366419 (E_RNA) where: Base-Base interactions energy: -1178.675 where: short stacking energy: -498.200 Base-Backbone interact. energy: -1.834 local terms energy: -571.857488 where: bonds (distance) C4'-P energy: -111.626 bonds (distance) P-C4' energy: -100.110 flat angles C4'-P-C4' energy: -125.239 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: -156.233 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: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1647.926072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.926072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.926072 (E_RNA) where: Base-Base interactions energy: -1108.733 where: short stacking energy: -485.090 Base-Backbone interact. energy: -4.686 local terms energy: -534.506366 where: bonds (distance) C4'-P energy: -102.907 bonds (distance) P-C4' energy: -107.197 flat angles C4'-P-C4' energy: -108.595 flat angles P-C4'-P energy: -79.593 tors. eta vs tors. theta energy: -136.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1473.831827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.831827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.831827 (E_RNA) where: Base-Base interactions energy: -971.616 where: short stacking energy: -428.681 Base-Backbone interact. energy: 2.626 local terms energy: -504.841516 where: bonds (distance) C4'-P energy: -91.047 bonds (distance) P-C4' energy: -106.451 flat angles C4'-P-C4' energy: -122.412 flat angles P-C4'-P energy: -71.923 tors. eta vs tors. theta energy: -113.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1256.605255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.605255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.605255 (E_RNA) where: Base-Base interactions energy: -802.385 where: short stacking energy: -360.523 Base-Backbone interact. energy: -1.070 local terms energy: -453.149808 where: bonds (distance) C4'-P energy: -96.345 bonds (distance) P-C4' energy: -106.401 flat angles C4'-P-C4' energy: -114.468 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -84.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1159.811271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.811271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.811271 (E_RNA) where: Base-Base interactions energy: -729.875 where: short stacking energy: -343.267 Base-Backbone interact. energy: -1.173 local terms energy: -428.763930 where: bonds (distance) C4'-P energy: -105.665 bonds (distance) P-C4' energy: -106.411 flat angles C4'-P-C4' energy: -96.920 flat angles P-C4'-P energy: -59.546 tors. eta vs tors. theta energy: -60.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -629.708147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.708147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.708147 (E_RNA) where: Base-Base interactions energy: -268.791 where: short stacking energy: -180.753 Base-Backbone interact. energy: -1.542 local terms energy: -359.375317 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -108.697 flat angles C4'-P-C4' energy: -74.546 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -15.972 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: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -532.246347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.246347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.246347 (E_RNA) where: Base-Base interactions energy: -234.020 where: short stacking energy: -163.348 Base-Backbone interact. energy: -1.975 local terms energy: -296.251067 where: bonds (distance) C4'-P energy: -93.945 bonds (distance) P-C4' energy: -92.389 flat angles C4'-P-C4' energy: -75.474 flat angles P-C4'-P energy: -36.882 tors. eta vs tors. theta energy: 2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2021.039451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.039451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.039451 (E_RNA) where: Base-Base interactions energy: -1370.475 where: short stacking energy: -615.162 Base-Backbone interact. energy: -3.807 local terms energy: -646.757646 where: bonds (distance) C4'-P energy: -125.806 bonds (distance) P-C4' energy: -118.773 flat angles C4'-P-C4' energy: -130.297 flat angles P-C4'-P energy: -82.581 tors. eta vs tors. theta energy: -189.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1942.496109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.496109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.496109 (E_RNA) where: Base-Base interactions energy: -1335.030 where: short stacking energy: -616.170 Base-Backbone interact. energy: -1.523 local terms energy: -605.942772 where: bonds (distance) C4'-P energy: -120.284 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -129.729 flat angles P-C4'-P energy: -79.294 tors. eta vs tors. theta energy: -174.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1824.244147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.244147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.244147 (E_RNA) where: Base-Base interactions energy: -1256.728 where: short stacking energy: -523.076 Base-Backbone interact. energy: -0.190 local terms energy: -567.325575 where: bonds (distance) C4'-P energy: -101.159 bonds (distance) P-C4' energy: -119.568 flat angles C4'-P-C4' energy: -110.612 flat angles P-C4'-P energy: -82.426 tors. eta vs tors. theta energy: -153.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1753.270054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.270054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.270054 (E_RNA) where: Base-Base interactions energy: -1182.074 where: short stacking energy: -528.995 Base-Backbone interact. energy: -0.175 local terms energy: -571.021563 where: bonds (distance) C4'-P energy: -109.376 bonds (distance) P-C4' energy: -112.639 flat angles C4'-P-C4' energy: -115.702 flat angles P-C4'-P energy: -69.422 tors. eta vs tors. theta energy: -163.881 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: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1645.148441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.148441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.148441 (E_RNA) where: Base-Base interactions energy: -1121.473 where: short stacking energy: -482.387 Base-Backbone interact. energy: -2.171 local terms energy: -521.504747 where: bonds (distance) C4'-P energy: -98.681 bonds (distance) P-C4' energy: -110.198 flat angles C4'-P-C4' energy: -110.217 flat angles P-C4'-P energy: -74.397 tors. eta vs tors. theta energy: -128.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1502.148609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.148609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.148609 (E_RNA) where: Base-Base interactions energy: -1023.016 where: short stacking energy: -460.823 Base-Backbone interact. energy: 2.712 local terms energy: -481.844457 where: bonds (distance) C4'-P energy: -93.812 bonds (distance) P-C4' energy: -99.534 flat angles C4'-P-C4' energy: -111.874 flat angles P-C4'-P energy: -73.350 tors. eta vs tors. theta energy: -103.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1231.583680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.583680 (E_RNA) where: Base-Base interactions energy: -790.456 where: short stacking energy: -353.333 Base-Backbone interact. energy: -3.816 local terms energy: -437.312164 where: bonds (distance) C4'-P energy: -90.943 bonds (distance) P-C4' energy: -93.810 flat angles C4'-P-C4' energy: -101.875 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -83.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1184.495418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.495418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.495418 (E_RNA) where: Base-Base interactions energy: -776.308 where: short stacking energy: -332.069 Base-Backbone interact. energy: 1.839 local terms energy: -410.026632 where: bonds (distance) C4'-P energy: -95.782 bonds (distance) P-C4' energy: -86.015 flat angles C4'-P-C4' energy: -95.147 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -62.533 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: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -577.262111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.262111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.262111 (E_RNA) where: Base-Base interactions energy: -238.952 where: short stacking energy: -168.754 Base-Backbone interact. energy: -2.112 local terms energy: -336.197955 where: bonds (distance) C4'-P energy: -89.909 bonds (distance) P-C4' energy: -107.250 flat angles C4'-P-C4' energy: -84.370 flat angles P-C4'-P energy: -49.620 tors. eta vs tors. theta energy: -5.049 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: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -544.316950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.316950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.316950 (E_RNA) where: Base-Base interactions energy: -242.025 where: short stacking energy: -164.511 Base-Backbone interact. energy: 1.579 local terms energy: -303.870878 where: bonds (distance) C4'-P energy: -93.385 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -87.993 flat angles P-C4'-P energy: -45.030 tors. eta vs tors. theta energy: 3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2044.697876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.697876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.697876 (E_RNA) where: Base-Base interactions energy: -1376.583 where: short stacking energy: -615.744 Base-Backbone interact. energy: -3.172 local terms energy: -664.942882 where: bonds (distance) C4'-P energy: -121.719 bonds (distance) P-C4' energy: -120.866 flat angles C4'-P-C4' energy: -140.178 flat angles P-C4'-P energy: -94.279 tors. eta vs tors. theta energy: -187.900 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: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1955.579182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.579182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.579182 (E_RNA) where: Base-Base interactions energy: -1325.562 where: short stacking energy: -581.887 Base-Backbone interact. energy: -0.720 local terms energy: -629.296990 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -111.918 flat angles C4'-P-C4' energy: -131.948 flat angles P-C4'-P energy: -91.849 tors. eta vs tors. theta energy: -174.999 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: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1785.668617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.668617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.668617 (E_RNA) where: Base-Base interactions energy: -1221.838 where: short stacking energy: -540.954 Base-Backbone interact. energy: -1.591 local terms energy: -562.239493 where: bonds (distance) C4'-P energy: -110.657 bonds (distance) P-C4' energy: -105.328 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -155.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1786.577959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.577959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.577959 (E_RNA) where: Base-Base interactions energy: -1221.637 where: short stacking energy: -542.576 Base-Backbone interact. energy: -2.230 local terms energy: -562.711578 where: bonds (distance) C4'-P energy: -104.782 bonds (distance) P-C4' energy: -97.463 flat angles C4'-P-C4' energy: -122.226 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -163.762 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: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1578.246513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.246513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.246513 (E_RNA) where: Base-Base interactions energy: -1084.925 where: short stacking energy: -441.271 Base-Backbone interact. energy: -2.209 local terms energy: -491.112105 where: bonds (distance) C4'-P energy: -93.569 bonds (distance) P-C4' energy: -104.224 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -118.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1479.664449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.664449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.664449 (E_RNA) where: Base-Base interactions energy: -991.483 where: short stacking energy: -432.778 Base-Backbone interact. energy: -0.842 local terms energy: -487.338591 where: bonds (distance) C4'-P energy: -90.387 bonds (distance) P-C4' energy: -101.797 flat angles C4'-P-C4' energy: -113.367 flat angles P-C4'-P energy: -75.058 tors. eta vs tors. theta energy: -106.729 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: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1220.399486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.399486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.399486 (E_RNA) where: Base-Base interactions energy: -782.100 where: short stacking energy: -333.395 Base-Backbone interact. energy: 0.544 local terms energy: -438.844246 where: bonds (distance) C4'-P energy: -106.458 bonds (distance) P-C4' energy: -99.585 flat angles C4'-P-C4' energy: -90.842 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: -70.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1207.019024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.019024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.019024 (E_RNA) where: Base-Base interactions energy: -774.283 where: short stacking energy: -329.781 Base-Backbone interact. energy: 1.891 local terms energy: -434.627684 where: bonds (distance) C4'-P energy: -100.160 bonds (distance) P-C4' energy: -100.434 flat angles C4'-P-C4' energy: -97.541 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -67.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -581.041094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.041094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.041094 (E_RNA) where: Base-Base interactions energy: -270.135 where: short stacking energy: -177.637 Base-Backbone interact. energy: -2.752 local terms energy: -308.154230 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -85.498 flat angles C4'-P-C4' energy: -100.163 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: 9.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -463.801114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.801114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.801114 (E_RNA) where: Base-Base interactions energy: -195.005 where: short stacking energy: -144.873 Base-Backbone interact. energy: -2.336 local terms energy: -266.460736 where: bonds (distance) C4'-P energy: -81.087 bonds (distance) P-C4' energy: -101.972 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -34.910 tors. eta vs tors. theta energy: 19.056 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: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2031.367196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.367196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.367196 (E_RNA) where: Base-Base interactions energy: -1382.583 where: short stacking energy: -605.564 Base-Backbone interact. energy: -2.224 local terms energy: -646.560178 where: bonds (distance) C4'-P energy: -103.706 bonds (distance) P-C4' energy: -122.468 flat angles C4'-P-C4' energy: -146.095 flat angles P-C4'-P energy: -95.317 tors. eta vs tors. theta energy: -178.975 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: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1975.893075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.893075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.893075 (E_RNA) where: Base-Base interactions energy: -1361.190 where: short stacking energy: -594.835 Base-Backbone interact. energy: -1.755 local terms energy: -612.948644 where: bonds (distance) C4'-P energy: -115.152 bonds (distance) P-C4' energy: -109.788 flat angles C4'-P-C4' energy: -123.482 flat angles P-C4'-P energy: -85.241 tors. eta vs tors. theta energy: -179.285 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: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1828.050635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.050635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.050635 (E_RNA) where: Base-Base interactions energy: -1258.940 where: short stacking energy: -565.706 Base-Backbone interact. energy: -3.850 local terms energy: -565.261221 where: bonds (distance) C4'-P energy: -112.134 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -119.544 flat angles P-C4'-P energy: -77.631 tors. eta vs tors. theta energy: -158.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1771.089994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.089994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.089994 (E_RNA) where: Base-Base interactions energy: -1173.781 where: short stacking energy: -512.215 Base-Backbone interact. energy: -4.679 local terms energy: -592.629168 where: bonds (distance) C4'-P energy: -121.454 bonds (distance) P-C4' energy: -117.166 flat angles C4'-P-C4' energy: -121.318 flat angles P-C4'-P energy: -80.088 tors. eta vs tors. theta energy: -152.603 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: 1 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1537.373150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.373150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.373150 (E_RNA) where: Base-Base interactions energy: -1041.849 where: short stacking energy: -439.641 Base-Backbone interact. energy: -1.402 local terms energy: -494.121755 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -101.917 flat angles C4'-P-C4' energy: -108.157 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -111.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1445.413758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.413758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.413758 (E_RNA) where: Base-Base interactions energy: -969.719 where: short stacking energy: -428.592 Base-Backbone interact. energy: -2.420 local terms energy: -473.274783 where: bonds (distance) C4'-P energy: -92.016 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -113.450 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -115.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1246.073155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.073155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.073155 (E_RNA) where: Base-Base interactions energy: -769.142 where: short stacking energy: -360.306 Base-Backbone interact. energy: 1.203 local terms energy: -478.134604 where: bonds (distance) C4'-P energy: -86.771 bonds (distance) P-C4' energy: -115.680 flat angles C4'-P-C4' energy: -118.766 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -92.728 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: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1223.508581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.508581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.508581 (E_RNA) where: Base-Base interactions energy: -809.456 where: short stacking energy: -378.611 Base-Backbone interact. energy: 0.527 local terms energy: -414.579927 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -91.439 flat angles C4'-P-C4' energy: -90.258 flat angles P-C4'-P energy: -65.940 tors. eta vs tors. theta energy: -86.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -580.219817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.219817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.219817 (E_RNA) where: Base-Base interactions energy: -274.706 where: short stacking energy: -193.625 Base-Backbone interact. energy: 3.653 local terms energy: -309.166803 where: bonds (distance) C4'-P energy: -93.675 bonds (distance) P-C4' energy: -91.217 flat angles C4'-P-C4' energy: -84.261 flat angles P-C4'-P energy: -39.280 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -463.075499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.075499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.075499 (E_RNA) where: Base-Base interactions energy: -160.051 where: short stacking energy: -111.408 Base-Backbone interact. energy: -1.859 local terms energy: -301.165458 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -99.233 flat angles C4'-P-C4' energy: -83.630 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: 10.295 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: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2021.638175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.638175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.638175 (E_RNA) where: Base-Base interactions energy: -1379.223 where: short stacking energy: -605.777 Base-Backbone interact. energy: -0.877 local terms energy: -641.537930 where: bonds (distance) C4'-P energy: -117.858 bonds (distance) P-C4' energy: -119.212 flat angles C4'-P-C4' energy: -127.280 flat angles P-C4'-P energy: -92.549 tors. eta vs tors. theta energy: -184.639 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: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1932.057098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.057098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.057098 (E_RNA) where: Base-Base interactions energy: -1312.918 where: short stacking energy: -591.051 Base-Backbone interact. energy: 3.639 local terms energy: -622.777825 where: bonds (distance) C4'-P energy: -115.981 bonds (distance) P-C4' energy: -120.742 flat angles C4'-P-C4' energy: -134.746 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -169.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1814.644521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.644521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.644521 (E_RNA) where: Base-Base interactions energy: -1216.346 where: short stacking energy: -558.355 Base-Backbone interact. energy: -0.145 local terms energy: -598.153371 where: bonds (distance) C4'-P energy: -107.556 bonds (distance) P-C4' energy: -102.374 flat angles C4'-P-C4' energy: -141.140 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -164.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1760.838622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.838622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.838622 (E_RNA) where: Base-Base interactions energy: -1202.244 where: short stacking energy: -538.432 Base-Backbone interact. energy: -1.329 local terms energy: -557.265879 where: bonds (distance) C4'-P energy: -106.292 bonds (distance) P-C4' energy: -95.070 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -84.151 tors. eta vs tors. theta energy: -146.446 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: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1611.298545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.298545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.298545 (E_RNA) where: Base-Base interactions energy: -1084.268 where: short stacking energy: -462.246 Base-Backbone interact. energy: -2.994 local terms energy: -524.036567 where: bonds (distance) C4'-P energy: -110.401 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -71.846 tors. eta vs tors. theta energy: -115.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1456.503056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.503056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.503056 (E_RNA) where: Base-Base interactions energy: -985.610 where: short stacking energy: -419.822 Base-Backbone interact. energy: 6.560 local terms energy: -477.453579 where: bonds (distance) C4'-P energy: -101.029 bonds (distance) P-C4' energy: -91.410 flat angles C4'-P-C4' energy: -103.486 flat angles P-C4'-P energy: -67.382 tors. eta vs tors. theta energy: -114.147 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: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1247.462769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.462769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.462769 (E_RNA) where: Base-Base interactions energy: -810.859 where: short stacking energy: -359.226 Base-Backbone interact. energy: -4.342 local terms energy: -432.261730 where: bonds (distance) C4'-P energy: -97.054 bonds (distance) P-C4' energy: -100.374 flat angles C4'-P-C4' energy: -89.517 flat angles P-C4'-P energy: -60.750 tors. eta vs tors. theta energy: -84.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1147.107876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.107876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.107876 (E_RNA) where: Base-Base interactions energy: -707.205 where: short stacking energy: -338.360 Base-Backbone interact. energy: -0.574 local terms energy: -439.328496 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -85.206 flat angles C4'-P-C4' energy: -104.311 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: -84.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -573.861270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.861270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.861270 (E_RNA) where: Base-Base interactions energy: -270.233 where: short stacking energy: -163.528 Base-Backbone interact. energy: -1.029 local terms energy: -302.598844 where: bonds (distance) C4'-P energy: -87.183 bonds (distance) P-C4' energy: -108.512 flat angles C4'-P-C4' energy: -54.310 flat angles P-C4'-P energy: -62.109 tors. eta vs tors. theta energy: 9.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -446.597857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.597857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.597857 (E_RNA) where: Base-Base interactions energy: -155.335 where: short stacking energy: -107.177 Base-Backbone interact. energy: -0.346 local terms energy: -290.916883 where: bonds (distance) C4'-P energy: -84.004 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -88.178 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: 30.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2030.341615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.341615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.341615 (E_RNA) where: Base-Base interactions energy: -1377.608 where: short stacking energy: -630.295 Base-Backbone interact. energy: -0.746 local terms energy: -651.987745 where: bonds (distance) C4'-P energy: -118.335 bonds (distance) P-C4' energy: -109.226 flat angles C4'-P-C4' energy: -132.760 flat angles P-C4'-P energy: -97.634 tors. eta vs tors. theta energy: -194.034 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: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1928.737294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.737294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.737294 (E_RNA) where: Base-Base interactions energy: -1320.059 where: short stacking energy: -594.481 Base-Backbone interact. energy: -3.256 local terms energy: -605.422976 where: bonds (distance) C4'-P energy: -107.677 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -179.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1791.046705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.046705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.046705 (E_RNA) where: Base-Base interactions energy: -1216.518 where: short stacking energy: -509.370 Base-Backbone interact. energy: -1.947 local terms energy: -572.581484 where: bonds (distance) C4'-P energy: -108.142 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -125.456 flat angles P-C4'-P energy: -70.749 tors. eta vs tors. theta energy: -152.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1718.254118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.254118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.254118 (E_RNA) where: Base-Base interactions energy: -1157.647 where: short stacking energy: -522.193 Base-Backbone interact. energy: -4.569 local terms energy: -556.038515 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -94.252 flat angles C4'-P-C4' energy: -114.946 flat angles P-C4'-P energy: -82.137 tors. eta vs tors. theta energy: -150.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1536.869788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.869788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.869788 (E_RNA) where: Base-Base interactions energy: -1035.153 where: short stacking energy: -437.008 Base-Backbone interact. energy: -0.232 local terms energy: -501.485101 where: bonds (distance) C4'-P energy: -120.223 bonds (distance) P-C4' energy: -104.892 flat angles C4'-P-C4' energy: -106.136 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -109.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1471.321050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.321050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.321050 (E_RNA) where: Base-Base interactions energy: -979.340 where: short stacking energy: -415.329 Base-Backbone interact. energy: -0.614 local terms energy: -491.367322 where: bonds (distance) C4'-P energy: -102.053 bonds (distance) P-C4' energy: -97.171 flat angles C4'-P-C4' energy: -112.335 flat angles P-C4'-P energy: -75.196 tors. eta vs tors. theta energy: -104.612 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: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1315.825158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.825158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.825158 (E_RNA) where: Base-Base interactions energy: -872.426 where: short stacking energy: -406.383 Base-Backbone interact. energy: -1.372 local terms energy: -442.026524 where: bonds (distance) C4'-P energy: -101.893 bonds (distance) P-C4' energy: -75.523 flat angles C4'-P-C4' energy: -111.976 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -97.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1167.307512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.307512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.307512 (E_RNA) where: Base-Base interactions energy: -722.147 where: short stacking energy: -340.951 Base-Backbone interact. energy: 0.364 local terms energy: -445.524963 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -116.568 flat angles C4'-P-C4' energy: -96.870 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -77.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -686.868889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.868889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.868889 (E_RNA) where: Base-Base interactions energy: -360.608 where: short stacking energy: -199.485 Base-Backbone interact. energy: 0.196 local terms energy: -326.456351 where: bonds (distance) C4'-P energy: -90.474 bonds (distance) P-C4' energy: -101.673 flat angles C4'-P-C4' energy: -92.688 flat angles P-C4'-P energy: -40.179 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: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -521.118329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.118329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.118329 (E_RNA) where: Base-Base interactions energy: -238.749 where: short stacking energy: -142.015 Base-Backbone interact. energy: -0.200 local terms energy: -282.169932 where: bonds (distance) C4'-P energy: -100.332 bonds (distance) P-C4' energy: -92.374 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -32.697 tors. eta vs tors. theta energy: 21.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2004.201635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.201635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.201635 (E_RNA) where: Base-Base interactions energy: -1365.719 where: short stacking energy: -610.125 Base-Backbone interact. energy: -3.107 local terms energy: -635.375736 where: bonds (distance) C4'-P energy: -98.446 bonds (distance) P-C4' energy: -117.392 flat angles C4'-P-C4' energy: -139.255 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -189.764 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: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1944.184107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.184107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.184107 (E_RNA) where: Base-Base interactions energy: -1321.802 where: short stacking energy: -606.821 Base-Backbone interact. energy: -0.676 local terms energy: -621.706468 where: bonds (distance) C4'-P energy: -109.449 bonds (distance) P-C4' energy: -114.583 flat angles C4'-P-C4' energy: -135.817 flat angles P-C4'-P energy: -88.241 tors. eta vs tors. theta energy: -173.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1807.144586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.144586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.144586 (E_RNA) where: Base-Base interactions energy: -1223.016 where: short stacking energy: -551.291 Base-Backbone interact. energy: -2.640 local terms energy: -581.489351 where: bonds (distance) C4'-P energy: -95.564 bonds (distance) P-C4' energy: -118.006 flat angles C4'-P-C4' energy: -128.327 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -170.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1738.630506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.630506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.630506 (E_RNA) where: Base-Base interactions energy: -1164.373 where: short stacking energy: -535.515 Base-Backbone interact. energy: 0.361 local terms energy: -574.618585 where: bonds (distance) C4'-P energy: -113.058 bonds (distance) P-C4' energy: -111.980 flat angles C4'-P-C4' energy: -125.581 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -153.085 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: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1558.294465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.294465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.294465 (E_RNA) where: Base-Base interactions energy: -1070.833 where: short stacking energy: -417.138 Base-Backbone interact. energy: -1.949 local terms energy: -485.512571 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -93.491 flat angles C4'-P-C4' energy: -96.008 flat angles P-C4'-P energy: -84.028 tors. eta vs tors. theta energy: -112.517 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: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1475.798571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.798571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.798571 (E_RNA) where: Base-Base interactions energy: -989.061 where: short stacking energy: -426.419 Base-Backbone interact. energy: 4.669 local terms energy: -491.406469 where: bonds (distance) C4'-P energy: -101.496 bonds (distance) P-C4' energy: -98.466 flat angles C4'-P-C4' energy: -107.481 flat angles P-C4'-P energy: -81.021 tors. eta vs tors. theta energy: -102.943 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: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1269.075134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.075134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.075134 (E_RNA) where: Base-Base interactions energy: -810.865 where: short stacking energy: -377.182 Base-Backbone interact. energy: -2.556 local terms energy: -455.654154 where: bonds (distance) C4'-P energy: -85.386 bonds (distance) P-C4' energy: -110.756 flat angles C4'-P-C4' energy: -104.516 flat angles P-C4'-P energy: -73.019 tors. eta vs tors. theta energy: -81.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1143.496306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.496306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.496306 (E_RNA) where: Base-Base interactions energy: -739.168 where: short stacking energy: -329.324 Base-Backbone interact. energy: -0.704 local terms energy: -403.624221 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -101.246 flat angles P-C4'-P energy: -38.176 tors. eta vs tors. theta energy: -56.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -689.575802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.575802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.575802 (E_RNA) where: Base-Base interactions energy: -376.620 where: short stacking energy: -210.686 Base-Backbone interact. energy: 5.865 local terms energy: -318.821189 where: bonds (distance) C4'-P energy: -75.031 bonds (distance) P-C4' energy: -86.104 flat angles C4'-P-C4' energy: -77.848 flat angles P-C4'-P energy: -62.313 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: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -493.188440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.188440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.188440 (E_RNA) where: Base-Base interactions energy: -205.765 where: short stacking energy: -143.437 Base-Backbone interact. energy: 5.443 local terms energy: -292.866831 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -88.727 flat angles C4'-P-C4' energy: -94.180 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: 21.671 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: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2010.624300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.624300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.624300 (E_RNA) where: Base-Base interactions energy: -1370.077 where: short stacking energy: -606.211 Base-Backbone interact. energy: -2.127 local terms energy: -638.419946 where: bonds (distance) C4'-P energy: -123.837 bonds (distance) P-C4' energy: -127.647 flat angles C4'-P-C4' energy: -125.874 flat angles P-C4'-P energy: -80.444 tors. eta vs tors. theta energy: -180.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1915.546637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.546637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.546637 (E_RNA) where: Base-Base interactions energy: -1302.424 where: short stacking energy: -559.878 Base-Backbone interact. energy: -1.312 local terms energy: -611.810589 where: bonds (distance) C4'-P energy: -106.960 bonds (distance) P-C4' energy: -118.874 flat angles C4'-P-C4' energy: -132.552 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -171.392 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: 3, replica: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1816.931828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.931828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.931828 (E_RNA) where: Base-Base interactions energy: -1240.079 where: short stacking energy: -545.509 Base-Backbone interact. energy: -1.975 local terms energy: -574.877464 where: bonds (distance) C4'-P energy: -113.682 bonds (distance) P-C4' energy: -93.744 flat angles C4'-P-C4' energy: -121.502 flat angles P-C4'-P energy: -84.564 tors. eta vs tors. theta energy: -161.385 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: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1774.672179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.672179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.672179 (E_RNA) where: Base-Base interactions energy: -1205.678 where: short stacking energy: -535.421 Base-Backbone interact. energy: -2.723 local terms energy: -566.271304 where: bonds (distance) C4'-P energy: -98.449 bonds (distance) P-C4' energy: -105.031 flat angles C4'-P-C4' energy: -114.859 flat angles P-C4'-P energy: -86.930 tors. eta vs tors. theta energy: -161.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1628.092099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.092099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.092099 (E_RNA) where: Base-Base interactions energy: -1103.231 where: short stacking energy: -453.534 Base-Backbone interact. energy: 5.348 local terms energy: -530.209782 where: bonds (distance) C4'-P energy: -97.257 bonds (distance) P-C4' energy: -109.875 flat angles C4'-P-C4' energy: -113.339 flat angles P-C4'-P energy: -78.883 tors. eta vs tors. theta energy: -130.856 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1455.802016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.802016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.802016 (E_RNA) where: Base-Base interactions energy: -961.898 where: short stacking energy: -421.777 Base-Backbone interact. energy: -2.348 local terms energy: -491.556340 where: bonds (distance) C4'-P energy: -97.217 bonds (distance) P-C4' energy: -111.939 flat angles C4'-P-C4' energy: -97.813 flat angles P-C4'-P energy: -78.974 tors. eta vs tors. theta energy: -105.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1227.779321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.779321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.779321 (E_RNA) where: Base-Base interactions energy: -773.439 where: short stacking energy: -340.263 Base-Backbone interact. energy: -2.413 local terms energy: -451.927217 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -115.230 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -74.739 tors. eta vs tors. theta energy: -61.893 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: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1205.811836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.811836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.811836 (E_RNA) where: Base-Base interactions energy: -757.202 where: short stacking energy: -353.864 Base-Backbone interact. energy: -2.366 local terms energy: -446.243672 where: bonds (distance) C4'-P energy: -90.678 bonds (distance) P-C4' energy: -98.896 flat angles C4'-P-C4' energy: -99.487 flat angles P-C4'-P energy: -71.667 tors. eta vs tors. theta energy: -85.515 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: 4 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -638.152019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.152019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.152019 (E_RNA) where: Base-Base interactions energy: -333.189 where: short stacking energy: -177.985 Base-Backbone interact. energy: 7.754 local terms energy: -312.716480 where: bonds (distance) C4'-P energy: -85.139 bonds (distance) P-C4' energy: -115.474 flat angles C4'-P-C4' energy: -82.343 flat angles P-C4'-P energy: -28.767 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -452.342242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.342242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.342242 (E_RNA) where: Base-Base interactions energy: -158.833 where: short stacking energy: -112.139 Base-Backbone interact. energy: -1.370 local terms energy: -292.139904 where: bonds (distance) C4'-P energy: -93.568 bonds (distance) P-C4' energy: -90.381 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -59.610 tors. eta vs tors. theta energy: 23.779 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: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1960.694453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.694453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.694453 (E_RNA) where: Base-Base interactions energy: -1347.629 where: short stacking energy: -600.702 Base-Backbone interact. energy: -1.988 local terms energy: -611.077971 where: bonds (distance) C4'-P energy: -111.904 bonds (distance) P-C4' energy: -107.750 flat angles C4'-P-C4' energy: -129.062 flat angles P-C4'-P energy: -88.422 tors. eta vs tors. theta energy: -173.940 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: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1964.283042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.283042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.283042 (E_RNA) where: Base-Base interactions energy: -1334.798 where: short stacking energy: -581.556 Base-Backbone interact. energy: -2.722 local terms energy: -626.763131 where: bonds (distance) C4'-P energy: -116.360 bonds (distance) P-C4' energy: -112.188 flat angles C4'-P-C4' energy: -125.044 flat angles P-C4'-P energy: -88.438 tors. eta vs tors. theta energy: -184.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1832.342062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.342062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.342062 (E_RNA) where: Base-Base interactions energy: -1222.570 where: short stacking energy: -547.797 Base-Backbone interact. energy: -1.314 local terms energy: -608.457445 where: bonds (distance) C4'-P energy: -113.686 bonds (distance) P-C4' energy: -123.422 flat angles C4'-P-C4' energy: -126.442 flat angles P-C4'-P energy: -79.036 tors. eta vs tors. theta energy: -165.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1729.749762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.749762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.749762 (E_RNA) where: Base-Base interactions energy: -1162.117 where: short stacking energy: -505.199 Base-Backbone interact. energy: -1.844 local terms energy: -565.789428 where: bonds (distance) C4'-P energy: -102.675 bonds (distance) P-C4' energy: -107.002 flat angles C4'-P-C4' energy: -127.826 flat angles P-C4'-P energy: -82.602 tors. eta vs tors. theta energy: -145.685 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: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1604.502084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.502084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.502084 (E_RNA) where: Base-Base interactions energy: -1081.556 where: short stacking energy: -478.161 Base-Backbone interact. energy: -3.291 local terms energy: -519.654864 where: bonds (distance) C4'-P energy: -110.659 bonds (distance) P-C4' energy: -99.645 flat angles C4'-P-C4' energy: -112.399 flat angles P-C4'-P energy: -79.998 tors. eta vs tors. theta energy: -116.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1459.887042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.887042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.887042 (E_RNA) where: Base-Base interactions energy: -973.941 where: short stacking energy: -418.842 Base-Backbone interact. energy: -3.984 local terms energy: -481.961154 where: bonds (distance) C4'-P energy: -79.893 bonds (distance) P-C4' energy: -105.169 flat angles C4'-P-C4' energy: -109.934 flat angles P-C4'-P energy: -83.546 tors. eta vs tors. theta energy: -103.420 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: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1288.872818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.872818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.872818 (E_RNA) where: Base-Base interactions energy: -818.736 where: short stacking energy: -384.224 Base-Backbone interact. energy: 0.131 local terms energy: -470.267584 where: bonds (distance) C4'-P energy: -96.032 bonds (distance) P-C4' energy: -110.021 flat angles C4'-P-C4' energy: -102.648 flat angles P-C4'-P energy: -73.287 tors. eta vs tors. theta energy: -88.279 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: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1187.676214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.676214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.676214 (E_RNA) where: Base-Base interactions energy: -743.598 where: short stacking energy: -321.257 Base-Backbone interact. energy: -4.371 local terms energy: -439.706893 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -112.564 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -56.464 tors. eta vs tors. theta energy: -73.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -619.777222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.777222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.777222 (E_RNA) where: Base-Base interactions energy: -289.187 where: short stacking energy: -161.680 Base-Backbone interact. energy: -0.051 local terms energy: -330.539404 where: bonds (distance) C4'-P energy: -102.997 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -89.420 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -9.338 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: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -445.880046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.880046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.880046 (E_RNA) where: Base-Base interactions energy: -166.926 where: short stacking energy: -128.797 Base-Backbone interact. energy: -0.738 local terms energy: -278.216763 where: bonds (distance) C4'-P energy: -77.869 bonds (distance) P-C4' energy: -92.189 flat angles C4'-P-C4' energy: -75.673 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: 15.347 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: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2012.034088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.034088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.034088 (E_RNA) where: Base-Base interactions energy: -1395.499 where: short stacking energy: -626.671 Base-Backbone interact. energy: -2.664 local terms energy: -613.870296 where: bonds (distance) C4'-P energy: -104.243 bonds (distance) P-C4' energy: -108.143 flat angles C4'-P-C4' energy: -130.911 flat angles P-C4'-P energy: -89.426 tors. eta vs tors. theta energy: -181.147 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: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1964.577421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.577421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.577421 (E_RNA) where: Base-Base interactions energy: -1324.902 where: short stacking energy: -573.538 Base-Backbone interact. energy: -1.473 local terms energy: -638.202876 where: bonds (distance) C4'-P energy: -111.992 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -132.218 flat angles P-C4'-P energy: -100.167 tors. eta vs tors. theta energy: -182.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1794.308004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.308004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.308004 (E_RNA) where: Base-Base interactions energy: -1218.384 where: short stacking energy: -543.799 Base-Backbone interact. energy: -2.803 local terms energy: -573.120841 where: bonds (distance) C4'-P energy: -105.408 bonds (distance) P-C4' energy: -110.389 flat angles C4'-P-C4' energy: -124.698 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -160.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1735.999223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.999223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.999223 (E_RNA) where: Base-Base interactions energy: -1182.966 where: short stacking energy: -504.039 Base-Backbone interact. energy: -3.240 local terms energy: -549.793024 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -103.404 flat angles C4'-P-C4' energy: -122.226 flat angles P-C4'-P energy: -82.642 tors. eta vs tors. theta energy: -130.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1618.980238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.980238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.980238 (E_RNA) where: Base-Base interactions energy: -1114.444 where: short stacking energy: -485.000 Base-Backbone interact. energy: 6.141 local terms energy: -510.677310 where: bonds (distance) C4'-P energy: -79.957 bonds (distance) P-C4' energy: -116.553 flat angles C4'-P-C4' energy: -117.134 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -122.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1479.801966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.801966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.801966 (E_RNA) where: Base-Base interactions energy: -980.477 where: short stacking energy: -416.410 Base-Backbone interact. energy: -0.247 local terms energy: -499.077972 where: bonds (distance) C4'-P energy: -87.046 bonds (distance) P-C4' energy: -107.908 flat angles C4'-P-C4' energy: -117.603 flat angles P-C4'-P energy: -72.227 tors. eta vs tors. theta energy: -114.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1273.835324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.835324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.835324 (E_RNA) where: Base-Base interactions energy: -813.394 where: short stacking energy: -373.221 Base-Backbone interact. energy: -1.950 local terms energy: -458.491545 where: bonds (distance) C4'-P energy: -109.375 bonds (distance) P-C4' energy: -98.117 flat angles C4'-P-C4' energy: -109.320 flat angles P-C4'-P energy: -58.306 tors. eta vs tors. theta energy: -83.374 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: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1127.862854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.862854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.862854 (E_RNA) where: Base-Base interactions energy: -693.325 where: short stacking energy: -323.449 Base-Backbone interact. energy: 4.629 local terms energy: -439.166804 where: bonds (distance) C4'-P energy: -84.389 bonds (distance) P-C4' energy: -100.238 flat angles C4'-P-C4' energy: -114.647 flat angles P-C4'-P energy: -67.318 tors. eta vs tors. theta energy: -72.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -637.446941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.446941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.446941 (E_RNA) where: Base-Base interactions energy: -306.071 where: short stacking energy: -194.661 Base-Backbone interact. energy: -1.632 local terms energy: -329.743611 where: bonds (distance) C4'-P energy: -107.066 bonds (distance) P-C4' energy: -80.439 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -38.825 tors. eta vs tors. theta energy: -25.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -446.835914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.835914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.835914 (E_RNA) where: Base-Base interactions energy: -161.098 where: short stacking energy: -108.913 Base-Backbone interact. energy: 1.446 local terms energy: -287.183296 where: bonds (distance) C4'-P energy: -91.880 bonds (distance) P-C4' energy: -92.895 flat angles C4'-P-C4' energy: -74.889 flat angles P-C4'-P energy: -42.255 tors. eta vs tors. theta energy: 14.736 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: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2002.771501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.771501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.771501 (E_RNA) where: Base-Base interactions energy: -1346.098 where: short stacking energy: -600.888 Base-Backbone interact. energy: -1.107 local terms energy: -655.566584 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -121.008 flat angles C4'-P-C4' energy: -144.830 flat angles P-C4'-P energy: -100.004 tors. eta vs tors. theta energy: -177.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1973.217703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.217703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.217703 (E_RNA) where: Base-Base interactions energy: -1355.525 where: short stacking energy: -581.544 Base-Backbone interact. energy: 1.347 local terms energy: -619.040200 where: bonds (distance) C4'-P energy: -112.635 bonds (distance) P-C4' energy: -117.283 flat angles C4'-P-C4' energy: -133.777 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: -176.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1839.503127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.503127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.503127 (E_RNA) where: Base-Base interactions energy: -1244.363 where: short stacking energy: -568.808 Base-Backbone interact. energy: -1.457 local terms energy: -593.683261 where: bonds (distance) C4'-P energy: -109.190 bonds (distance) P-C4' energy: -114.271 flat angles C4'-P-C4' energy: -128.494 flat angles P-C4'-P energy: -77.738 tors. eta vs tors. theta energy: -163.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1717.048661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.048661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.048661 (E_RNA) where: Base-Base interactions energy: -1174.304 where: short stacking energy: -497.774 Base-Backbone interact. energy: -4.365 local terms energy: -538.379854 where: bonds (distance) C4'-P energy: -100.417 bonds (distance) P-C4' energy: -103.878 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -70.105 tors. eta vs tors. theta energy: -147.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1649.637889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.637889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.637889 (E_RNA) where: Base-Base interactions energy: -1101.641 where: short stacking energy: -481.325 Base-Backbone interact. energy: 0.853 local terms energy: -548.849723 where: bonds (distance) C4'-P energy: -115.445 bonds (distance) P-C4' energy: -110.926 flat angles C4'-P-C4' energy: -114.358 flat angles P-C4'-P energy: -75.471 tors. eta vs tors. theta energy: -132.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1502.450487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.450487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.450487 (E_RNA) where: Base-Base interactions energy: -1008.690 where: short stacking energy: -404.852 Base-Backbone interact. energy: 2.876 local terms energy: -496.635587 where: bonds (distance) C4'-P energy: -96.789 bonds (distance) P-C4' energy: -96.764 flat angles C4'-P-C4' energy: -119.376 flat angles P-C4'-P energy: -71.707 tors. eta vs tors. theta energy: -112.000 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: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1290.017354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.017354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.017354 (E_RNA) where: Base-Base interactions energy: -841.074 where: short stacking energy: -384.490 Base-Backbone interact. energy: -1.723 local terms energy: -447.220706 where: bonds (distance) C4'-P energy: -89.978 bonds (distance) P-C4' energy: -109.129 flat angles C4'-P-C4' energy: -92.478 flat angles P-C4'-P energy: -78.225 tors. eta vs tors. theta energy: -77.410 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: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1138.761254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.761254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.761254 (E_RNA) where: Base-Base interactions energy: -696.454 where: short stacking energy: -341.103 Base-Backbone interact. energy: 0.661 local terms energy: -442.968021 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -98.741 flat angles C4'-P-C4' energy: -119.644 flat angles P-C4'-P energy: -63.879 tors. eta vs tors. theta energy: -67.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -577.554478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.554478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.554478 (E_RNA) where: Base-Base interactions energy: -251.922 where: short stacking energy: -163.984 Base-Backbone interact. energy: -0.294 local terms energy: -325.338651 where: bonds (distance) C4'-P energy: -84.818 bonds (distance) P-C4' energy: -106.141 flat angles C4'-P-C4' energy: -86.174 flat angles P-C4'-P energy: -56.277 tors. eta vs tors. theta energy: 8.072 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: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -457.813140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.813140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.813140 (E_RNA) where: Base-Base interactions energy: -177.967 where: short stacking energy: -134.623 Base-Backbone interact. energy: 3.147 local terms energy: -282.992634 where: bonds (distance) C4'-P energy: -87.574 bonds (distance) P-C4' energy: -90.023 flat angles C4'-P-C4' energy: -77.106 flat angles P-C4'-P energy: -37.795 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: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1991.193794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.193794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.193794 (E_RNA) where: Base-Base interactions energy: -1373.645 where: short stacking energy: -614.209 Base-Backbone interact. energy: -2.963 local terms energy: -614.585772 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -109.053 flat angles C4'-P-C4' energy: -128.336 flat angles P-C4'-P energy: -94.557 tors. eta vs tors. theta energy: -178.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1982.594828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.594828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.594828 (E_RNA) where: Base-Base interactions energy: -1337.141 where: short stacking energy: -589.777 Base-Backbone interact. energy: -4.482 local terms energy: -640.971763 where: bonds (distance) C4'-P energy: -115.004 bonds (distance) P-C4' energy: -126.263 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -80.890 tors. eta vs tors. theta energy: -181.285 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: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1845.355930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.355930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.355930 (E_RNA) where: Base-Base interactions energy: -1229.780 where: short stacking energy: -569.397 Base-Backbone interact. energy: -4.228 local terms energy: -611.347788 where: bonds (distance) C4'-P energy: -96.586 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -131.121 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -175.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1714.644286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.644286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.644286 (E_RNA) where: Base-Base interactions energy: -1132.375 where: short stacking energy: -523.657 Base-Backbone interact. energy: -3.422 local terms energy: -578.847071 where: bonds (distance) C4'-P energy: -99.531 bonds (distance) P-C4' energy: -114.442 flat angles C4'-P-C4' energy: -130.079 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: -154.632 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: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1596.325369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.325369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.325369 (E_RNA) where: Base-Base interactions energy: -1090.171 where: short stacking energy: -460.189 Base-Backbone interact. energy: 2.146 local terms energy: -508.300456 where: bonds (distance) C4'-P energy: -98.386 bonds (distance) P-C4' energy: -95.619 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -64.429 tors. eta vs tors. theta energy: -129.613 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: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1500.915271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.915271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.915271 (E_RNA) where: Base-Base interactions energy: -979.162 where: short stacking energy: -428.787 Base-Backbone interact. energy: -2.786 local terms energy: -518.967280 where: bonds (distance) C4'-P energy: -107.945 bonds (distance) P-C4' energy: -98.691 flat angles C4'-P-C4' energy: -118.932 flat angles P-C4'-P energy: -81.314 tors. eta vs tors. theta energy: -112.086 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: 7, replica: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1319.367654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.367654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.367654 (E_RNA) where: Base-Base interactions energy: -841.930 where: short stacking energy: -381.702 Base-Backbone interact. energy: 2.572 local terms energy: -480.009349 where: bonds (distance) C4'-P energy: -103.502 bonds (distance) P-C4' energy: -117.416 flat angles C4'-P-C4' energy: -107.157 flat angles P-C4'-P energy: -59.441 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: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1100.090797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.090797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.090797 (E_RNA) where: Base-Base interactions energy: -673.866 where: short stacking energy: -311.500 Base-Backbone interact. energy: 1.997 local terms energy: -428.221344 where: bonds (distance) C4'-P energy: -98.187 bonds (distance) P-C4' energy: -98.438 flat angles C4'-P-C4' energy: -103.559 flat angles P-C4'-P energy: -53.800 tors. eta vs tors. theta energy: -74.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -629.569450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.569450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.569450 (E_RNA) where: Base-Base interactions energy: -265.288 where: short stacking energy: -164.871 Base-Backbone interact. energy: 1.868 local terms energy: -366.149925 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -102.778 flat angles C4'-P-C4' energy: -81.908 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -18.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -479.690989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.690989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.690989 (E_RNA) where: Base-Base interactions energy: -175.291 where: short stacking energy: -147.814 Base-Backbone interact. energy: 5.269 local terms energy: -309.669687 where: bonds (distance) C4'-P energy: -93.034 bonds (distance) P-C4' energy: -104.440 flat angles C4'-P-C4' energy: -90.972 flat angles P-C4'-P energy: -30.901 tors. eta vs tors. theta energy: 9.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1986.849677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.849677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.849677 (E_RNA) where: Base-Base interactions energy: -1354.695 where: short stacking energy: -590.251 Base-Backbone interact. energy: -1.873 local terms energy: -630.281737 where: bonds (distance) C4'-P energy: -111.827 bonds (distance) P-C4' energy: -106.703 flat angles C4'-P-C4' energy: -135.339 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: -182.225 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: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1999.090982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.090982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.090982 (E_RNA) where: Base-Base interactions energy: -1360.764 where: short stacking energy: -600.732 Base-Backbone interact. energy: -0.127 local terms energy: -638.200175 where: bonds (distance) C4'-P energy: -112.592 bonds (distance) P-C4' energy: -117.811 flat angles C4'-P-C4' energy: -130.591 flat angles P-C4'-P energy: -95.120 tors. eta vs tors. theta energy: -182.086 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: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1832.555104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.555104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.555104 (E_RNA) where: Base-Base interactions energy: -1234.005 where: short stacking energy: -551.598 Base-Backbone interact. energy: -1.725 local terms energy: -596.824778 where: bonds (distance) C4'-P energy: -105.451 bonds (distance) P-C4' energy: -105.944 flat angles C4'-P-C4' energy: -129.244 flat angles P-C4'-P energy: -84.116 tors. eta vs tors. theta energy: -172.070 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: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1772.039612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.039612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.039612 (E_RNA) where: Base-Base interactions energy: -1175.903 where: short stacking energy: -531.847 Base-Backbone interact. energy: -2.565 local terms energy: -593.571565 where: bonds (distance) C4'-P energy: -104.603 bonds (distance) P-C4' energy: -122.124 flat angles C4'-P-C4' energy: -130.140 flat angles P-C4'-P energy: -79.799 tors. eta vs tors. theta energy: -156.906 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: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1576.188971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.188971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.188971 (E_RNA) where: Base-Base interactions energy: -1054.237 where: short stacking energy: -481.298 Base-Backbone interact. energy: -3.901 local terms energy: -518.051585 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -113.139 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -69.476 tors. eta vs tors. theta energy: -127.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1450.681914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.681914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.681914 (E_RNA) where: Base-Base interactions energy: -971.470 where: short stacking energy: -432.014 Base-Backbone interact. energy: 2.885 local terms energy: -482.096739 where: bonds (distance) C4'-P energy: -107.287 bonds (distance) P-C4' energy: -101.075 flat angles C4'-P-C4' energy: -111.572 flat angles P-C4'-P energy: -59.388 tors. eta vs tors. theta energy: -102.775 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: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1319.925543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.925543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.925543 (E_RNA) where: Base-Base interactions energy: -851.940 where: short stacking energy: -397.271 Base-Backbone interact. energy: -0.417 local terms energy: -467.569229 where: bonds (distance) C4'-P energy: -82.288 bonds (distance) P-C4' energy: -105.342 flat angles C4'-P-C4' energy: -100.812 flat angles P-C4'-P energy: -69.054 tors. eta vs tors. theta energy: -110.073 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: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1134.497055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.497055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.497055 (E_RNA) where: Base-Base interactions energy: -703.275 where: short stacking energy: -324.257 Base-Backbone interact. energy: -0.379 local terms energy: -430.843855 where: bonds (distance) C4'-P energy: -110.532 bonds (distance) P-C4' energy: -108.112 flat angles C4'-P-C4' energy: -94.078 flat angles P-C4'-P energy: -60.056 tors. eta vs tors. theta energy: -58.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -692.597412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.597412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.597412 (E_RNA) where: Base-Base interactions energy: -337.336 where: short stacking energy: -201.218 Base-Backbone interact. energy: 1.010 local terms energy: -356.271437 where: bonds (distance) C4'-P energy: -112.475 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -78.960 flat angles P-C4'-P energy: -41.806 tors. eta vs tors. theta energy: -20.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -487.262599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.262599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.262599 (E_RNA) where: Base-Base interactions energy: -203.211 where: short stacking energy: -143.691 Base-Backbone interact. energy: 4.033 local terms energy: -288.083680 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -89.341 flat angles C4'-P-C4' energy: -67.805 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: 6.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2007.821795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.821795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.821795 (E_RNA) where: Base-Base interactions energy: -1371.439 where: short stacking energy: -606.666 Base-Backbone interact. energy: -2.407 local terms energy: -633.976049 where: bonds (distance) C4'-P energy: -110.727 bonds (distance) P-C4' energy: -119.049 flat angles C4'-P-C4' energy: -139.678 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -187.396 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: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1935.791384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.791384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.791384 (E_RNA) where: Base-Base interactions energy: -1302.377 where: short stacking energy: -562.947 Base-Backbone interact. energy: 2.203 local terms energy: -635.618192 where: bonds (distance) C4'-P energy: -121.035 bonds (distance) P-C4' energy: -118.359 flat angles C4'-P-C4' energy: -124.800 flat angles P-C4'-P energy: -95.420 tors. eta vs tors. theta energy: -176.005 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: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1837.781974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.781974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.781974 (E_RNA) where: Base-Base interactions energy: -1219.418 where: short stacking energy: -570.137 Base-Backbone interact. energy: -2.613 local terms energy: -615.750952 where: bonds (distance) C4'-P energy: -108.162 bonds (distance) P-C4' energy: -121.560 flat angles C4'-P-C4' energy: -133.134 flat angles P-C4'-P energy: -82.466 tors. eta vs tors. theta energy: -170.429 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: 349 Temperature: 1.050000 Total energy: -1765.055630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.055630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.055630 (E_RNA) where: Base-Base interactions energy: -1187.828 where: short stacking energy: -518.577 Base-Backbone interact. energy: 2.651 local terms energy: -579.878711 where: bonds (distance) C4'-P energy: -111.250 bonds (distance) P-C4' energy: -101.571 flat angles C4'-P-C4' energy: -131.006 flat angles P-C4'-P energy: -79.844 tors. eta vs tors. theta energy: -156.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1633.028288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.028288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.028288 (E_RNA) where: Base-Base interactions energy: -1106.637 where: short stacking energy: -475.854 Base-Backbone interact. energy: -1.650 local terms energy: -524.742108 where: bonds (distance) C4'-P energy: -106.594 bonds (distance) P-C4' energy: -98.778 flat angles C4'-P-C4' energy: -115.776 flat angles P-C4'-P energy: -80.377 tors. eta vs tors. theta energy: -123.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1508.708915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.708915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.708915 (E_RNA) where: Base-Base interactions energy: -1006.125 where: short stacking energy: -449.258 Base-Backbone interact. energy: -2.109 local terms energy: -500.475753 where: bonds (distance) C4'-P energy: -109.427 bonds (distance) P-C4' energy: -106.185 flat angles C4'-P-C4' energy: -109.517 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -105.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1314.995354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.995354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.995354 (E_RNA) where: Base-Base interactions energy: -853.441 where: short stacking energy: -369.143 Base-Backbone interact. energy: -3.802 local terms energy: -457.752510 where: bonds (distance) C4'-P energy: -98.023 bonds (distance) P-C4' energy: -97.449 flat angles C4'-P-C4' energy: -95.802 flat angles P-C4'-P energy: -68.402 tors. eta vs tors. theta energy: -98.076 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: 349 Temperature: 1.250000 Total energy: -1083.871471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.871471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.871471 (E_RNA) where: Base-Base interactions energy: -642.738 where: short stacking energy: -298.456 Base-Backbone interact. energy: -1.557 local terms energy: -439.576678 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -118.665 flat angles C4'-P-C4' energy: -99.262 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -63.935 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: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -659.921469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.921469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.921469 (E_RNA) where: Base-Base interactions energy: -318.063 where: short stacking energy: -189.344 Base-Backbone interact. energy: 0.646 local terms energy: -342.504294 where: bonds (distance) C4'-P energy: -90.143 bonds (distance) P-C4' energy: -103.363 flat angles C4'-P-C4' energy: -84.800 flat angles P-C4'-P energy: -54.007 tors. eta vs tors. theta energy: -10.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -442.786089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.786089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.786089 (E_RNA) where: Base-Base interactions energy: -148.637 where: short stacking energy: -131.015 Base-Backbone interact. energy: 1.178 local terms energy: -295.327370 where: bonds (distance) C4'-P energy: -97.515 bonds (distance) P-C4' energy: -109.701 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -37.275 tors. eta vs tors. theta energy: 18.517 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: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2015.789234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.789234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.789234 (E_RNA) where: Base-Base interactions energy: -1386.306 where: short stacking energy: -604.267 Base-Backbone interact. energy: -2.136 local terms energy: -627.347350 where: bonds (distance) C4'-P energy: -122.837 bonds (distance) P-C4' energy: -110.013 flat angles C4'-P-C4' energy: -122.030 flat angles P-C4'-P energy: -94.225 tors. eta vs tors. theta energy: -178.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1948.162512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.162512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.162512 (E_RNA) where: Base-Base interactions energy: -1324.824 where: short stacking energy: -593.490 Base-Backbone interact. energy: -1.534 local terms energy: -621.804297 where: bonds (distance) C4'-P energy: -109.599 bonds (distance) P-C4' energy: -129.381 flat angles C4'-P-C4' energy: -123.470 flat angles P-C4'-P energy: -81.153 tors. eta vs tors. theta energy: -178.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1800.606785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.606785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.606785 (E_RNA) where: Base-Base interactions energy: -1219.851 where: short stacking energy: -556.895 Base-Backbone interact. energy: -1.161 local terms energy: -579.595166 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -99.398 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: -158.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1709.514012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.514012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.514012 (E_RNA) where: Base-Base interactions energy: -1132.357 where: short stacking energy: -511.534 Base-Backbone interact. energy: -2.349 local terms energy: -574.808003 where: bonds (distance) C4'-P energy: -103.047 bonds (distance) P-C4' energy: -102.272 flat angles C4'-P-C4' energy: -127.657 flat angles P-C4'-P energy: -92.127 tors. eta vs tors. theta energy: -149.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1621.310149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.310149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.310149 (E_RNA) where: Base-Base interactions energy: -1081.906 where: short stacking energy: -470.222 Base-Backbone interact. energy: -0.167 local terms energy: -539.236914 where: bonds (distance) C4'-P energy: -101.836 bonds (distance) P-C4' energy: -85.288 flat angles C4'-P-C4' energy: -115.646 flat angles P-C4'-P energy: -89.205 tors. eta vs tors. theta energy: -147.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1486.563524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.563524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.563524 (E_RNA) where: Base-Base interactions energy: -998.977 where: short stacking energy: -435.853 Base-Backbone interact. energy: 0.738 local terms energy: -488.324363 where: bonds (distance) C4'-P energy: -90.250 bonds (distance) P-C4' energy: -95.615 flat angles C4'-P-C4' energy: -122.297 flat angles P-C4'-P energy: -78.736 tors. eta vs tors. theta energy: -101.426 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: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1291.768026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.768026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.768026 (E_RNA) where: Base-Base interactions energy: -823.545 where: short stacking energy: -361.265 Base-Backbone interact. energy: 0.838 local terms energy: -469.060813 where: bonds (distance) C4'-P energy: -110.865 bonds (distance) P-C4' energy: -108.725 flat angles C4'-P-C4' energy: -102.779 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -89.924 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: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1141.403043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.403043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.403043 (E_RNA) where: Base-Base interactions energy: -744.103 where: short stacking energy: -328.043 Base-Backbone interact. energy: 1.823 local terms energy: -399.122532 where: bonds (distance) C4'-P energy: -93.309 bonds (distance) P-C4' energy: -97.509 flat angles C4'-P-C4' energy: -85.541 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: -65.962 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: 350 Temperature: 1.300000 Total energy: -743.569019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.569019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.569019 (E_RNA) where: Base-Base interactions energy: -401.089 where: short stacking energy: -213.341 Base-Backbone interact. energy: -2.335 local terms energy: -340.145304 where: bonds (distance) C4'-P energy: -93.886 bonds (distance) P-C4' energy: -103.952 flat angles C4'-P-C4' energy: -86.188 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -447.765377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.765377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.765377 (E_RNA) where: Base-Base interactions energy: -145.856 where: short stacking energy: -129.554 Base-Backbone interact. energy: -1.670 local terms energy: -300.239343 where: bonds (distance) C4'-P energy: -101.151 bonds (distance) P-C4' energy: -105.242 flat angles C4'-P-C4' energy: -78.502 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: 16.960 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: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2004.619517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.619517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.619517 (E_RNA) where: Base-Base interactions energy: -1367.463 where: short stacking energy: -584.700 Base-Backbone interact. energy: 0.045 local terms energy: -637.202071 where: bonds (distance) C4'-P energy: -111.850 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -133.434 flat angles P-C4'-P energy: -88.825 tors. eta vs tors. theta energy: -179.039 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: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1934.361068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.361068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.361068 (E_RNA) where: Base-Base interactions energy: -1316.016 where: short stacking energy: -573.954 Base-Backbone interact. energy: -1.394 local terms energy: -616.950703 where: bonds (distance) C4'-P energy: -104.714 bonds (distance) P-C4' energy: -121.840 flat angles C4'-P-C4' energy: -141.935 flat angles P-C4'-P energy: -75.312 tors. eta vs tors. theta energy: -173.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1789.804495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.804495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.804495 (E_RNA) where: Base-Base interactions energy: -1200.817 where: short stacking energy: -532.389 Base-Backbone interact. energy: -0.815 local terms energy: -588.172770 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -104.382 flat angles C4'-P-C4' energy: -123.105 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -157.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1705.672146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.672146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.672146 (E_RNA) where: Base-Base interactions energy: -1134.150 where: short stacking energy: -489.153 Base-Backbone interact. energy: -2.206 local terms energy: -569.316085 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -106.928 flat angles C4'-P-C4' energy: -118.897 flat angles P-C4'-P energy: -87.687 tors. eta vs tors. theta energy: -142.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1673.875813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.875813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.875813 (E_RNA) where: Base-Base interactions energy: -1119.885 where: short stacking energy: -491.753 Base-Backbone interact. energy: -2.935 local terms energy: -551.056065 where: bonds (distance) C4'-P energy: -88.361 bonds (distance) P-C4' energy: -119.871 flat angles C4'-P-C4' energy: -117.267 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -143.022 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: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1419.572586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.572586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.572586 (E_RNA) where: Base-Base interactions energy: -965.183 where: short stacking energy: -420.315 Base-Backbone interact. energy: -0.188 local terms energy: -454.201210 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -111.376 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -101.224 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: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1272.810778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.810778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.810778 (E_RNA) where: Base-Base interactions energy: -797.640 where: short stacking energy: -344.278 Base-Backbone interact. energy: -1.999 local terms energy: -473.171355 where: bonds (distance) C4'-P energy: -103.104 bonds (distance) P-C4' energy: -121.507 flat angles C4'-P-C4' energy: -93.746 flat angles P-C4'-P energy: -64.618 tors. eta vs tors. theta energy: -90.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1185.982740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.982740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.982740 (E_RNA) where: Base-Base interactions energy: -742.251 where: short stacking energy: -343.527 Base-Backbone interact. energy: -2.973 local terms energy: -440.758336 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -111.458 flat angles C4'-P-C4' energy: -106.186 flat angles P-C4'-P energy: -57.683 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: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -753.002661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.002661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.002661 (E_RNA) where: Base-Base interactions energy: -384.739 where: short stacking energy: -219.835 Base-Backbone interact. energy: -1.537 local terms energy: -366.726453 where: bonds (distance) C4'-P energy: -71.349 bonds (distance) P-C4' energy: -109.524 flat angles C4'-P-C4' energy: -90.503 flat angles P-C4'-P energy: -59.734 tors. eta vs tors. theta energy: -35.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -489.389241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.389241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.389241 (E_RNA) where: Base-Base interactions energy: -193.338 where: short stacking energy: -132.704 Base-Backbone interact. energy: -2.641 local terms energy: -293.409845 where: bonds (distance) C4'-P energy: -92.771 bonds (distance) P-C4' energy: -86.738 flat angles C4'-P-C4' energy: -90.783 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: 22.954 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: 352 Temperature: 0.900000 Total energy: -2043.401795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.401795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.401795 (E_RNA) where: Base-Base interactions energy: -1399.215 where: short stacking energy: -616.223 Base-Backbone interact. energy: -2.283 local terms energy: -641.903649 where: bonds (distance) C4'-P energy: -98.851 bonds (distance) P-C4' energy: -121.482 flat angles C4'-P-C4' energy: -134.927 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -197.209 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: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1958.289786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.289786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.289786 (E_RNA) where: Base-Base interactions energy: -1338.875 where: short stacking energy: -602.276 Base-Backbone interact. energy: -0.456 local terms energy: -618.959076 where: bonds (distance) C4'-P energy: -106.286 bonds (distance) P-C4' energy: -126.065 flat angles C4'-P-C4' energy: -136.370 flat angles P-C4'-P energy: -72.553 tors. eta vs tors. theta energy: -177.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1836.471409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.471409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.471409 (E_RNA) where: Base-Base interactions energy: -1221.011 where: short stacking energy: -560.963 Base-Backbone interact. energy: 0.605 local terms energy: -616.065361 where: bonds (distance) C4'-P energy: -117.486 bonds (distance) P-C4' energy: -124.599 flat angles C4'-P-C4' energy: -127.501 flat angles P-C4'-P energy: -74.237 tors. eta vs tors. theta energy: -172.242 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: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1691.809553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.809553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.809553 (E_RNA) where: Base-Base interactions energy: -1158.883 where: short stacking energy: -491.171 Base-Backbone interact. energy: 2.319 local terms energy: -535.245101 where: bonds (distance) C4'-P energy: -96.586 bonds (distance) P-C4' energy: -115.488 flat angles C4'-P-C4' energy: -120.625 flat angles P-C4'-P energy: -71.487 tors. eta vs tors. theta energy: -131.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1719.175702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.175702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.175702 (E_RNA) where: Base-Base interactions energy: -1164.771 where: short stacking energy: -530.221 Base-Backbone interact. energy: -0.038 local terms energy: -554.366961 where: bonds (distance) C4'-P energy: -105.163 bonds (distance) P-C4' energy: -93.218 flat angles C4'-P-C4' energy: -128.910 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -156.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1425.604381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.604381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.604381 (E_RNA) where: Base-Base interactions energy: -935.076 where: short stacking energy: -418.639 Base-Backbone interact. energy: -4.946 local terms energy: -485.582280 where: bonds (distance) C4'-P energy: -96.156 bonds (distance) P-C4' energy: -116.039 flat angles C4'-P-C4' energy: -110.514 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -99.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1204.875152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.875152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.875152 (E_RNA) where: Base-Base interactions energy: -777.815 where: short stacking energy: -334.452 Base-Backbone interact. energy: -0.856 local terms energy: -426.204516 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -98.298 flat angles C4'-P-C4' energy: -96.528 flat angles P-C4'-P energy: -73.780 tors. eta vs tors. theta energy: -55.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1257.882971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.882971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.882971 (E_RNA) where: Base-Base interactions energy: -838.904 where: short stacking energy: -386.697 Base-Backbone interact. energy: -2.540 local terms energy: -416.439101 where: bonds (distance) C4'-P energy: -96.440 bonds (distance) P-C4' energy: -95.065 flat angles C4'-P-C4' energy: -99.008 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -79.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -716.007069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.007069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.007069 (E_RNA) where: Base-Base interactions energy: -368.989 where: short stacking energy: -207.036 Base-Backbone interact. energy: 1.624 local terms energy: -348.642603 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -119.160 flat angles C4'-P-C4' energy: -94.862 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -480.742908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.742908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.742908 (E_RNA) where: Base-Base interactions energy: -199.376 where: short stacking energy: -137.084 Base-Backbone interact. energy: -1.100 local terms energy: -280.266775 where: bonds (distance) C4'-P energy: -100.155 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -62.237 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: 18.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2031.687851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.687851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.687851 (E_RNA) where: Base-Base interactions energy: -1382.757 where: short stacking energy: -624.253 Base-Backbone interact. energy: -1.787 local terms energy: -647.144221 where: bonds (distance) C4'-P energy: -123.762 bonds (distance) P-C4' energy: -109.059 flat angles C4'-P-C4' energy: -138.731 flat angles P-C4'-P energy: -85.251 tors. eta vs tors. theta energy: -190.341 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: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1954.850166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.850166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.850166 (E_RNA) where: Base-Base interactions energy: -1342.389 where: short stacking energy: -600.177 Base-Backbone interact. energy: -3.391 local terms energy: -609.069961 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -111.517 flat angles C4'-P-C4' energy: -122.024 flat angles P-C4'-P energy: -86.731 tors. eta vs tors. theta energy: -173.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1875.714402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.714402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.714402 (E_RNA) where: Base-Base interactions energy: -1263.906 where: short stacking energy: -580.031 Base-Backbone interact. energy: -1.795 local terms energy: -610.013498 where: bonds (distance) C4'-P energy: -99.542 bonds (distance) P-C4' energy: -120.347 flat angles C4'-P-C4' energy: -128.819 flat angles P-C4'-P energy: -78.903 tors. eta vs tors. theta energy: -182.402 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: -1785.658499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.658499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.658499 (E_RNA) where: Base-Base interactions energy: -1201.320 where: short stacking energy: -518.765 Base-Backbone interact. energy: -1.260 local terms energy: -583.078365 where: bonds (distance) C4'-P energy: -106.226 bonds (distance) P-C4' energy: -107.292 flat angles C4'-P-C4' energy: -123.155 flat angles P-C4'-P energy: -92.350 tors. eta vs tors. theta energy: -154.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1604.920453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.920453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.920453 (E_RNA) where: Base-Base interactions energy: -1046.248 where: short stacking energy: -472.868 Base-Backbone interact. energy: -2.545 local terms energy: -556.127543 where: bonds (distance) C4'-P energy: -110.109 bonds (distance) P-C4' energy: -120.103 flat angles C4'-P-C4' energy: -120.604 flat angles P-C4'-P energy: -78.547 tors. eta vs tors. theta energy: -126.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1450.687633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.687633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.687633 (E_RNA) where: Base-Base interactions energy: -969.996 where: short stacking energy: -414.651 Base-Backbone interact. energy: -1.751 local terms energy: -478.939951 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -111.736 flat angles C4'-P-C4' energy: -105.299 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -104.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1282.407122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.407122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.407122 (E_RNA) where: Base-Base interactions energy: -836.731 where: short stacking energy: -384.545 Base-Backbone interact. energy: 3.346 local terms energy: -449.021436 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -100.351 flat angles P-C4'-P energy: -62.078 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: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1207.992886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.992886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.992886 (E_RNA) where: Base-Base interactions energy: -765.668 where: short stacking energy: -335.246 Base-Backbone interact. energy: -1.449 local terms energy: -440.876604 where: bonds (distance) C4'-P energy: -88.981 bonds (distance) P-C4' energy: -104.772 flat angles C4'-P-C4' energy: -106.311 flat angles P-C4'-P energy: -64.767 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: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -685.257311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.257311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.257311 (E_RNA) where: Base-Base interactions energy: -360.067 where: short stacking energy: -183.480 Base-Backbone interact. energy: 1.246 local terms energy: -326.436029 where: bonds (distance) C4'-P energy: -89.448 bonds (distance) P-C4' energy: -114.616 flat angles C4'-P-C4' energy: -73.394 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -462.316317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.316317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.316317 (E_RNA) where: Base-Base interactions energy: -150.833 where: short stacking energy: -123.771 Base-Backbone interact. energy: -1.209 local terms energy: -310.274344 where: bonds (distance) C4'-P energy: -93.937 bonds (distance) P-C4' energy: -96.252 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: 2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2026.307076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.307076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.307076 (E_RNA) where: Base-Base interactions energy: -1381.697 where: short stacking energy: -606.524 Base-Backbone interact. energy: -4.307 local terms energy: -640.303190 where: bonds (distance) C4'-P energy: -117.904 bonds (distance) P-C4' energy: -113.426 flat angles C4'-P-C4' energy: -132.692 flat angles P-C4'-P energy: -92.324 tors. eta vs tors. theta energy: -183.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1941.144014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.144014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.144014 (E_RNA) where: Base-Base interactions energy: -1320.853 where: short stacking energy: -578.024 Base-Backbone interact. energy: -1.310 local terms energy: -618.980838 where: bonds (distance) C4'-P energy: -115.211 bonds (distance) P-C4' energy: -119.151 flat angles C4'-P-C4' energy: -118.204 flat angles P-C4'-P energy: -86.546 tors. eta vs tors. theta energy: -179.868 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: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1831.836322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.836322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.836322 (E_RNA) where: Base-Base interactions energy: -1244.524 where: short stacking energy: -565.526 Base-Backbone interact. energy: -0.933 local terms energy: -586.379778 where: bonds (distance) C4'-P energy: -103.582 bonds (distance) P-C4' energy: -100.349 flat angles C4'-P-C4' energy: -130.166 flat angles P-C4'-P energy: -82.940 tors. eta vs tors. theta energy: -169.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1769.100774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.100774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.100774 (E_RNA) where: Base-Base interactions energy: -1206.572 where: short stacking energy: -527.498 Base-Backbone interact. energy: -2.982 local terms energy: -559.547261 where: bonds (distance) C4'-P energy: -118.162 bonds (distance) P-C4' energy: -92.930 flat angles C4'-P-C4' energy: -124.865 flat angles P-C4'-P energy: -74.472 tors. eta vs tors. theta energy: -149.117 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: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1635.258584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.258584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.258584 (E_RNA) where: Base-Base interactions energy: -1087.540 where: short stacking energy: -451.744 Base-Backbone interact. energy: -2.925 local terms energy: -544.793395 where: bonds (distance) C4'-P energy: -109.574 bonds (distance) P-C4' energy: -120.534 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -61.297 tors. eta vs tors. theta energy: -137.913 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: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1459.847842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.847842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.847842 (E_RNA) where: Base-Base interactions energy: -975.494 where: short stacking energy: -420.865 Base-Backbone interact. energy: -4.238 local terms energy: -480.115835 where: bonds (distance) C4'-P energy: -93.641 bonds (distance) P-C4' energy: -101.151 flat angles C4'-P-C4' energy: -100.594 flat angles P-C4'-P energy: -69.429 tors. eta vs tors. theta energy: -115.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1295.029528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.029528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.029528 (E_RNA) where: Base-Base interactions energy: -884.452 where: short stacking energy: -410.170 Base-Backbone interact. energy: -1.742 local terms energy: -408.835567 where: bonds (distance) C4'-P energy: -71.672 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -104.673 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -86.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1256.368280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.368280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.368280 (E_RNA) where: Base-Base interactions energy: -815.671 where: short stacking energy: -362.561 Base-Backbone interact. energy: 1.594 local terms energy: -442.291988 where: bonds (distance) C4'-P energy: -92.259 bonds (distance) P-C4' energy: -116.500 flat angles C4'-P-C4' energy: -97.708 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -69.958 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: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -676.057886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.057886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.057886 (E_RNA) where: Base-Base interactions energy: -358.617 where: short stacking energy: -188.844 Base-Backbone interact. energy: 5.708 local terms energy: -323.148944 where: bonds (distance) C4'-P energy: -97.786 bonds (distance) P-C4' energy: -93.585 flat angles C4'-P-C4' energy: -74.714 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -5.371 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: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -450.202950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.202950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.202950 (E_RNA) where: Base-Base interactions energy: -142.405 where: short stacking energy: -112.811 Base-Backbone interact. energy: 0.517 local terms energy: -308.315073 where: bonds (distance) C4'-P energy: -112.297 bonds (distance) P-C4' energy: -101.359 flat angles C4'-P-C4' energy: -74.167 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: 19.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2035.943859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.943859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.943859 (E_RNA) where: Base-Base interactions energy: -1397.714 where: short stacking energy: -616.989 Base-Backbone interact. energy: 2.166 local terms energy: -640.395718 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -115.187 flat angles C4'-P-C4' energy: -136.157 flat angles P-C4'-P energy: -99.549 tors. eta vs tors. theta energy: -181.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1928.315270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.315270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.315270 (E_RNA) where: Base-Base interactions energy: -1308.878 where: short stacking energy: -609.348 Base-Backbone interact. energy: -0.865 local terms energy: -618.572670 where: bonds (distance) C4'-P energy: -119.240 bonds (distance) P-C4' energy: -110.494 flat angles C4'-P-C4' energy: -129.414 flat angles P-C4'-P energy: -89.121 tors. eta vs tors. theta energy: -170.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1836.138655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.138655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.138655 (E_RNA) where: Base-Base interactions energy: -1244.057 where: short stacking energy: -564.410 Base-Backbone interact. energy: -1.062 local terms energy: -591.019263 where: bonds (distance) C4'-P energy: -108.413 bonds (distance) P-C4' energy: -109.049 flat angles C4'-P-C4' energy: -123.784 flat angles P-C4'-P energy: -77.469 tors. eta vs tors. theta energy: -172.304 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: 3 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1750.416735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.416735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.416735 (E_RNA) where: Base-Base interactions energy: -1183.708 where: short stacking energy: -537.966 Base-Backbone interact. energy: -3.022 local terms energy: -563.687065 where: bonds (distance) C4'-P energy: -94.943 bonds (distance) P-C4' energy: -109.186 flat angles C4'-P-C4' energy: -123.223 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -160.415 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: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1606.737294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.737294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.737294 (E_RNA) where: Base-Base interactions energy: -1062.158 where: short stacking energy: -453.945 Base-Backbone interact. energy: -5.127 local terms energy: -539.452792 where: bonds (distance) C4'-P energy: -118.734 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -112.840 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -131.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1450.396341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.396341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.396341 (E_RNA) where: Base-Base interactions energy: -963.258 where: short stacking energy: -426.865 Base-Backbone interact. energy: -1.169 local terms energy: -485.969329 where: bonds (distance) C4'-P energy: -90.362 bonds (distance) P-C4' energy: -107.273 flat angles C4'-P-C4' energy: -115.665 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: -110.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1279.150855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.150855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.150855 (E_RNA) where: Base-Base interactions energy: -852.939 where: short stacking energy: -381.515 Base-Backbone interact. energy: 0.395 local terms energy: -426.606430 where: bonds (distance) C4'-P energy: -81.486 bonds (distance) P-C4' energy: -105.415 flat angles C4'-P-C4' energy: -91.875 flat angles P-C4'-P energy: -67.503 tors. eta vs tors. theta energy: -80.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1243.427320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.427320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.427320 (E_RNA) where: Base-Base interactions energy: -786.075 where: short stacking energy: -349.591 Base-Backbone interact. energy: 0.390 local terms energy: -457.743148 where: bonds (distance) C4'-P energy: -101.101 bonds (distance) P-C4' energy: -96.775 flat angles C4'-P-C4' energy: -102.331 flat angles P-C4'-P energy: -74.103 tors. eta vs tors. theta energy: -83.434 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: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -688.932768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.932768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.932768 (E_RNA) where: Base-Base interactions energy: -343.907 where: short stacking energy: -200.321 Base-Backbone interact. energy: -0.984 local terms energy: -344.042453 where: bonds (distance) C4'-P energy: -85.864 bonds (distance) P-C4' energy: -98.156 flat angles C4'-P-C4' energy: -74.963 flat angles P-C4'-P energy: -61.559 tors. eta vs tors. theta energy: -23.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -501.141267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.141267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.141267 (E_RNA) where: Base-Base interactions energy: -218.159 where: short stacking energy: -120.977 Base-Backbone interact. energy: -2.879 local terms energy: -280.103469 where: bonds (distance) C4'-P energy: -92.958 bonds (distance) P-C4' energy: -93.386 flat angles C4'-P-C4' energy: -67.388 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: 27.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2035.086845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.086845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.086845 (E_RNA) where: Base-Base interactions energy: -1406.006 where: short stacking energy: -632.763 Base-Backbone interact. energy: -2.517 local terms energy: -626.564042 where: bonds (distance) C4'-P energy: -105.555 bonds (distance) P-C4' energy: -108.744 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -94.941 tors. eta vs tors. theta energy: -187.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1942.439956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.439956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.439956 (E_RNA) where: Base-Base interactions energy: -1325.983 where: short stacking energy: -570.112 Base-Backbone interact. energy: -1.933 local terms energy: -614.523664 where: bonds (distance) C4'-P energy: -115.750 bonds (distance) P-C4' energy: -116.428 flat angles C4'-P-C4' energy: -132.709 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -171.861 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: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1834.327535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.327535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.327535 (E_RNA) where: Base-Base interactions energy: -1243.704 where: short stacking energy: -568.474 Base-Backbone interact. energy: -0.483 local terms energy: -590.139973 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -115.479 flat angles C4'-P-C4' energy: -129.154 flat angles P-C4'-P energy: -80.556 tors. eta vs tors. theta energy: -171.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1754.716770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.716770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.716770 (E_RNA) where: Base-Base interactions energy: -1200.634 where: short stacking energy: -539.041 Base-Backbone interact. energy: -2.413 local terms energy: -551.669077 where: bonds (distance) C4'-P energy: -88.159 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -123.100 flat angles P-C4'-P energy: -75.377 tors. eta vs tors. theta energy: -168.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1566.932667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.932667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.932667 (E_RNA) where: Base-Base interactions energy: -1053.365 where: short stacking energy: -423.005 Base-Backbone interact. energy: -1.187 local terms energy: -512.380668 where: bonds (distance) C4'-P energy: -93.370 bonds (distance) P-C4' energy: -109.414 flat angles C4'-P-C4' energy: -118.887 flat angles P-C4'-P energy: -75.184 tors. eta vs tors. theta energy: -115.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1438.869987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.869987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.869987 (E_RNA) where: Base-Base interactions energy: -963.367 where: short stacking energy: -419.366 Base-Backbone interact. energy: 1.276 local terms energy: -476.778936 where: bonds (distance) C4'-P energy: -93.975 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -120.976 flat angles P-C4'-P energy: -68.260 tors. eta vs tors. theta energy: -97.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1314.293162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.293162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.293162 (E_RNA) where: Base-Base interactions energy: -856.919 where: short stacking energy: -365.512 Base-Backbone interact. energy: -0.713 local terms energy: -456.661410 where: bonds (distance) C4'-P energy: -90.590 bonds (distance) P-C4' energy: -106.918 flat angles C4'-P-C4' energy: -101.831 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -94.047 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: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1247.933621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.933621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.933621 (E_RNA) where: Base-Base interactions energy: -811.092 where: short stacking energy: -367.826 Base-Backbone interact. energy: 0.439 local terms energy: -437.281340 where: bonds (distance) C4'-P energy: -89.025 bonds (distance) P-C4' energy: -109.172 flat angles C4'-P-C4' energy: -103.133 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: -90.342 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: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -700.548847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.548847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.548847 (E_RNA) where: Base-Base interactions energy: -346.919 where: short stacking energy: -180.171 Base-Backbone interact. energy: 0.823 local terms energy: -354.452571 where: bonds (distance) C4'-P energy: -95.608 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -101.675 flat angles P-C4'-P energy: -51.400 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -492.485303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.485303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.485303 (E_RNA) where: Base-Base interactions energy: -200.797 where: short stacking energy: -151.613 Base-Backbone interact. energy: 3.080 local terms energy: -294.768395 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -83.173 flat angles C4'-P-C4' energy: -79.521 flat angles P-C4'-P energy: -32.715 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1999.206414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.206414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.206414 (E_RNA) where: Base-Base interactions energy: -1351.606 where: short stacking energy: -591.624 Base-Backbone interact. energy: 0.961 local terms energy: -648.561530 where: bonds (distance) C4'-P energy: -122.726 bonds (distance) P-C4' energy: -124.050 flat angles C4'-P-C4' energy: -136.476 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -183.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1967.242184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.242184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.242184 (E_RNA) where: Base-Base interactions energy: -1340.842 where: short stacking energy: -560.327 Base-Backbone interact. energy: -1.808 local terms energy: -624.591782 where: bonds (distance) C4'-P energy: -114.830 bonds (distance) P-C4' energy: -112.226 flat angles C4'-P-C4' energy: -133.177 flat angles P-C4'-P energy: -96.963 tors. eta vs tors. theta energy: -167.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1819.009741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.009741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.009741 (E_RNA) where: Base-Base interactions energy: -1218.554 where: short stacking energy: -553.398 Base-Backbone interact. energy: -0.542 local terms energy: -599.913748 where: bonds (distance) C4'-P energy: -108.974 bonds (distance) P-C4' energy: -112.495 flat angles C4'-P-C4' energy: -123.816 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -171.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1780.434558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.434558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.434558 (E_RNA) where: Base-Base interactions energy: -1189.701 where: short stacking energy: -545.134 Base-Backbone interact. energy: -1.526 local terms energy: -589.208057 where: bonds (distance) C4'-P energy: -108.685 bonds (distance) P-C4' energy: -96.572 flat angles C4'-P-C4' energy: -130.565 flat angles P-C4'-P energy: -84.908 tors. eta vs tors. theta energy: -168.477 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: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1608.483293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.483293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.483293 (E_RNA) where: Base-Base interactions energy: -1083.616 where: short stacking energy: -477.384 Base-Backbone interact. energy: 0.948 local terms energy: -525.815108 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -108.429 flat angles C4'-P-C4' energy: -108.126 flat angles P-C4'-P energy: -85.186 tors. eta vs tors. theta energy: -137.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1415.821918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.821918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.821918 (E_RNA) where: Base-Base interactions energy: -931.510 where: short stacking energy: -413.398 Base-Backbone interact. energy: 1.798 local terms energy: -486.109712 where: bonds (distance) C4'-P energy: -98.143 bonds (distance) P-C4' energy: -110.381 flat angles C4'-P-C4' energy: -105.792 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -107.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1316.570923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.570923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.570923 (E_RNA) where: Base-Base interactions energy: -904.452 where: short stacking energy: -389.578 Base-Backbone interact. energy: 1.374 local terms energy: -413.493066 where: bonds (distance) C4'-P energy: -82.513 bonds (distance) P-C4' energy: -103.457 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -55.622 tors. eta vs tors. theta energy: -89.684 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: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1261.217390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.217390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.217390 (E_RNA) where: Base-Base interactions energy: -829.379 where: short stacking energy: -353.384 Base-Backbone interact. energy: 2.089 local terms energy: -433.927910 where: bonds (distance) C4'-P energy: -103.169 bonds (distance) P-C4' energy: -91.071 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -75.750 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: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -688.214449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.214449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.214449 (E_RNA) where: Base-Base interactions energy: -356.189 where: short stacking energy: -238.535 Base-Backbone interact. energy: 1.251 local terms energy: -333.276818 where: bonds (distance) C4'-P energy: -75.971 bonds (distance) P-C4' energy: -98.184 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -56.412 tors. eta vs tors. theta energy: -26.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -472.303537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.303537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.303537 (E_RNA) where: Base-Base interactions energy: -162.020 where: short stacking energy: -120.835 Base-Backbone interact. energy: -2.863 local terms energy: -307.421056 where: bonds (distance) C4'-P energy: -107.873 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -68.122 flat angles P-C4'-P energy: -47.880 tors. eta vs tors. theta energy: 15.581 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: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1968.597071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.597071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.597071 (E_RNA) where: Base-Base interactions energy: -1357.024 where: short stacking energy: -600.246 Base-Backbone interact. energy: -3.425 local terms energy: -608.148365 where: bonds (distance) C4'-P energy: -109.898 bonds (distance) P-C4' energy: -97.024 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -183.168 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1959.807434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.807434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.807434 (E_RNA) where: Base-Base interactions energy: -1347.630 where: short stacking energy: -596.742 Base-Backbone interact. energy: -2.633 local terms energy: -609.544305 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -123.152 flat angles C4'-P-C4' energy: -126.960 flat angles P-C4'-P energy: -81.907 tors. eta vs tors. theta energy: -176.845 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1816.300604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.300604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.300604 (E_RNA) where: Base-Base interactions energy: -1218.205 where: short stacking energy: -536.834 Base-Backbone interact. energy: -2.321 local terms energy: -595.774788 where: bonds (distance) C4'-P energy: -117.850 bonds (distance) P-C4' energy: -116.250 flat angles C4'-P-C4' energy: -106.187 flat angles P-C4'-P energy: -89.332 tors. eta vs tors. theta energy: -166.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1728.765611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.765611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.765611 (E_RNA) where: Base-Base interactions energy: -1174.714 where: short stacking energy: -526.895 Base-Backbone interact. energy: -4.225 local terms energy: -549.826372 where: bonds (distance) C4'-P energy: -86.807 bonds (distance) P-C4' energy: -101.750 flat angles C4'-P-C4' energy: -120.034 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -170.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1555.108941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.108941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.108941 (E_RNA) where: Base-Base interactions energy: -1031.519 where: short stacking energy: -445.261 Base-Backbone interact. energy: -0.387 local terms energy: -523.203286 where: bonds (distance) C4'-P energy: -96.654 bonds (distance) P-C4' energy: -99.685 flat angles C4'-P-C4' energy: -121.764 flat angles P-C4'-P energy: -83.555 tors. eta vs tors. theta energy: -121.546 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: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1445.384015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.384015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.384015 (E_RNA) where: Base-Base interactions energy: -959.295 where: short stacking energy: -441.841 Base-Backbone interact. energy: -4.273 local terms energy: -481.815708 where: bonds (distance) C4'-P energy: -86.358 bonds (distance) P-C4' energy: -100.369 flat angles C4'-P-C4' energy: -104.846 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -114.829 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: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1357.818608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.818608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.818608 (E_RNA) where: Base-Base interactions energy: -880.725 where: short stacking energy: -360.258 Base-Backbone interact. energy: -3.140 local terms energy: -473.954186 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -102.665 flat angles C4'-P-C4' energy: -109.028 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -103.648 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: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1205.197490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.197490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.197490 (E_RNA) where: Base-Base interactions energy: -793.352 where: short stacking energy: -355.329 Base-Backbone interact. energy: -0.098 local terms energy: -411.747414 where: bonds (distance) C4'-P energy: -71.788 bonds (distance) P-C4' energy: -94.899 flat angles C4'-P-C4' energy: -81.371 flat angles P-C4'-P energy: -75.657 tors. eta vs tors. theta energy: -88.031 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: 358 Temperature: 1.300000 Total energy: -709.462408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.462408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.462408 (E_RNA) where: Base-Base interactions energy: -354.175 where: short stacking energy: -206.347 Base-Backbone interact. energy: 0.241 local terms energy: -355.528990 where: bonds (distance) C4'-P energy: -93.586 bonds (distance) P-C4' energy: -86.916 flat angles C4'-P-C4' energy: -97.120 flat angles P-C4'-P energy: -56.174 tors. eta vs tors. theta energy: -21.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -516.373616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.373616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.373616 (E_RNA) where: Base-Base interactions energy: -174.354 where: short stacking energy: -131.867 Base-Backbone interact. energy: 0.691 local terms energy: -342.710826 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -106.068 flat angles C4'-P-C4' energy: -88.849 flat angles P-C4'-P energy: -55.935 tors. eta vs tors. theta energy: 9.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1997.647212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.647212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.647212 (E_RNA) where: Base-Base interactions energy: -1389.591 where: short stacking energy: -614.180 Base-Backbone interact. energy: -1.681 local terms energy: -606.375409 where: bonds (distance) C4'-P energy: -114.254 bonds (distance) P-C4' energy: -109.209 flat angles C4'-P-C4' energy: -124.764 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -182.933 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: 2, replica: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1951.894426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.894426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.894426 (E_RNA) where: Base-Base interactions energy: -1329.382 where: short stacking energy: -579.102 Base-Backbone interact. energy: -0.429 local terms energy: -622.083728 where: bonds (distance) C4'-P energy: -118.857 bonds (distance) P-C4' energy: -107.558 flat angles C4'-P-C4' energy: -130.530 flat angles P-C4'-P energy: -89.847 tors. eta vs tors. theta energy: -175.292 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: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1853.517161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.517161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.517161 (E_RNA) where: Base-Base interactions energy: -1247.459 where: short stacking energy: -575.582 Base-Backbone interact. energy: -4.026 local terms energy: -602.032899 where: bonds (distance) C4'-P energy: -112.463 bonds (distance) P-C4' energy: -118.590 flat angles C4'-P-C4' energy: -121.544 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -177.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1750.447858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.447858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.447858 (E_RNA) where: Base-Base interactions energy: -1205.302 where: short stacking energy: -548.509 Base-Backbone interact. energy: -3.061 local terms energy: -542.084498 where: bonds (distance) C4'-P energy: -93.981 bonds (distance) P-C4' energy: -114.147 flat angles C4'-P-C4' energy: -118.684 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -154.779 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: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1522.875872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.875872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.875872 (E_RNA) where: Base-Base interactions energy: -1001.922 where: short stacking energy: -417.484 Base-Backbone interact. energy: -1.983 local terms energy: -518.970813 where: bonds (distance) C4'-P energy: -112.036 bonds (distance) P-C4' energy: -102.361 flat angles C4'-P-C4' energy: -119.138 flat angles P-C4'-P energy: -80.738 tors. eta vs tors. theta energy: -104.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1453.195301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.195301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.195301 (E_RNA) where: Base-Base interactions energy: -960.125 where: short stacking energy: -406.885 Base-Backbone interact. energy: -1.010 local terms energy: -492.060781 where: bonds (distance) C4'-P energy: -99.078 bonds (distance) P-C4' energy: -106.142 flat angles C4'-P-C4' energy: -111.500 flat angles P-C4'-P energy: -76.635 tors. eta vs tors. theta energy: -98.706 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: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1356.129190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.129190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.129190 (E_RNA) where: Base-Base interactions energy: -901.402 where: short stacking energy: -397.496 Base-Backbone interact. energy: -2.471 local terms energy: -452.255751 where: bonds (distance) C4'-P energy: -94.192 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -107.536 flat angles P-C4'-P energy: -66.525 tors. eta vs tors. theta energy: -90.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1094.276303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.276303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.276303 (E_RNA) where: Base-Base interactions energy: -691.217 where: short stacking energy: -285.709 Base-Backbone interact. energy: 4.017 local terms energy: -407.076209 where: bonds (distance) C4'-P energy: -99.697 bonds (distance) P-C4' energy: -101.836 flat angles C4'-P-C4' energy: -90.867 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: -56.604 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: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -717.941416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.941416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.941416 (E_RNA) where: Base-Base interactions energy: -379.373 where: short stacking energy: -215.367 Base-Backbone interact. energy: -1.592 local terms energy: -336.976412 where: bonds (distance) C4'-P energy: -84.297 bonds (distance) P-C4' energy: -96.352 flat angles C4'-P-C4' energy: -101.190 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -12.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -501.137954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.137954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.137954 (E_RNA) where: Base-Base interactions energy: -188.479 where: short stacking energy: -112.563 Base-Backbone interact. energy: -0.314 local terms energy: -312.345658 where: bonds (distance) C4'-P energy: -87.957 bonds (distance) P-C4' energy: -93.902 flat angles C4'-P-C4' energy: -96.015 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: 14.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2021.475626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.475626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.475626 (E_RNA) where: Base-Base interactions energy: -1386.620 where: short stacking energy: -618.584 Base-Backbone interact. energy: -0.535 local terms energy: -634.321383 where: bonds (distance) C4'-P energy: -108.341 bonds (distance) P-C4' energy: -125.171 flat angles C4'-P-C4' energy: -131.887 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -185.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1968.010070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.010070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.010070 (E_RNA) where: Base-Base interactions energy: -1342.765 where: short stacking energy: -578.052 Base-Backbone interact. energy: -2.261 local terms energy: -622.983738 where: bonds (distance) C4'-P energy: -122.496 bonds (distance) P-C4' energy: -123.459 flat angles C4'-P-C4' energy: -115.250 flat angles P-C4'-P energy: -88.486 tors. eta vs tors. theta energy: -173.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1809.561654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.561654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.561654 (E_RNA) where: Base-Base interactions energy: -1235.768 where: short stacking energy: -550.089 Base-Backbone interact. energy: -1.734 local terms energy: -572.058924 where: bonds (distance) C4'-P energy: -108.711 bonds (distance) P-C4' energy: -103.834 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -70.744 tors. eta vs tors. theta energy: -156.495 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: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1745.739158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.739158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.739158 (E_RNA) where: Base-Base interactions energy: -1153.724 where: short stacking energy: -509.371 Base-Backbone interact. energy: -2.905 local terms energy: -589.110225 where: bonds (distance) C4'-P energy: -114.359 bonds (distance) P-C4' energy: -107.404 flat angles C4'-P-C4' energy: -127.120 flat angles P-C4'-P energy: -89.880 tors. eta vs tors. theta energy: -150.348 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: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1515.276992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.276992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.276992 (E_RNA) where: Base-Base interactions energy: -1022.677 where: short stacking energy: -443.051 Base-Backbone interact. energy: -0.069 local terms energy: -492.530839 where: bonds (distance) C4'-P energy: -93.941 bonds (distance) P-C4' energy: -93.483 flat angles C4'-P-C4' energy: -108.951 flat angles P-C4'-P energy: -80.838 tors. eta vs tors. theta energy: -115.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1472.086613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.086613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.086613 (E_RNA) where: Base-Base interactions energy: -942.487 where: short stacking energy: -401.628 Base-Backbone interact. energy: -0.112 local terms energy: -529.487681 where: bonds (distance) C4'-P energy: -99.285 bonds (distance) P-C4' energy: -117.397 flat angles C4'-P-C4' energy: -123.580 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: -115.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1310.508292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.508292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.508292 (E_RNA) where: Base-Base interactions energy: -882.984 where: short stacking energy: -381.669 Base-Backbone interact. energy: 0.601 local terms energy: -428.125206 where: bonds (distance) C4'-P energy: -92.417 bonds (distance) P-C4' energy: -93.153 flat angles C4'-P-C4' energy: -101.677 flat angles P-C4'-P energy: -65.762 tors. eta vs tors. theta energy: -75.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1090.846182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.846182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.846182 (E_RNA) where: Base-Base interactions energy: -728.938 where: short stacking energy: -319.396 Base-Backbone interact. energy: 0.480 local terms energy: -362.387881 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -101.592 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: -45.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -734.097494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.097494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.097494 (E_RNA) where: Base-Base interactions energy: -398.470 where: short stacking energy: -210.771 Base-Backbone interact. energy: -0.116 local terms energy: -335.511396 where: bonds (distance) C4'-P energy: -91.197 bonds (distance) P-C4' energy: -98.750 flat angles C4'-P-C4' energy: -79.372 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -18.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -449.243695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.243695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.243695 (E_RNA) where: Base-Base interactions energy: -152.691 where: short stacking energy: -130.955 Base-Backbone interact. energy: 0.347 local terms energy: -296.900061 where: bonds (distance) C4'-P energy: -92.277 bonds (distance) P-C4' energy: -105.671 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -35.334 tors. eta vs tors. theta energy: 6.361 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: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2036.028177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.028177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.028177 (E_RNA) where: Base-Base interactions energy: -1398.248 where: short stacking energy: -600.619 Base-Backbone interact. energy: -1.467 local terms energy: -636.312544 where: bonds (distance) C4'-P energy: -116.202 bonds (distance) P-C4' energy: -113.391 flat angles C4'-P-C4' energy: -130.129 flat angles P-C4'-P energy: -95.156 tors. eta vs tors. theta energy: -181.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1982.365108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.365108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.365108 (E_RNA) where: Base-Base interactions energy: -1361.124 where: short stacking energy: -597.989 Base-Backbone interact. energy: -0.785 local terms energy: -620.456512 where: bonds (distance) C4'-P energy: -107.780 bonds (distance) P-C4' energy: -124.458 flat angles C4'-P-C4' energy: -120.969 flat angles P-C4'-P energy: -86.697 tors. eta vs tors. theta energy: -180.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1804.850343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.850343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.850343 (E_RNA) where: Base-Base interactions energy: -1225.608 where: short stacking energy: -562.163 Base-Backbone interact. energy: 0.480 local terms energy: -579.722355 where: bonds (distance) C4'-P energy: -104.408 bonds (distance) P-C4' energy: -102.910 flat angles C4'-P-C4' energy: -122.495 flat angles P-C4'-P energy: -90.820 tors. eta vs tors. theta energy: -159.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1693.429466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.429466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.429466 (E_RNA) where: Base-Base interactions energy: -1136.736 where: short stacking energy: -503.894 Base-Backbone interact. energy: -0.993 local terms energy: -555.699987 where: bonds (distance) C4'-P energy: -100.226 bonds (distance) P-C4' energy: -112.906 flat angles C4'-P-C4' energy: -116.785 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -155.325 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: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1503.510493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.510493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.510493 (E_RNA) where: Base-Base interactions energy: -999.443 where: short stacking energy: -429.164 Base-Backbone interact. energy: -2.333 local terms energy: -501.734657 where: bonds (distance) C4'-P energy: -104.635 bonds (distance) P-C4' energy: -102.919 flat angles C4'-P-C4' energy: -109.182 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: -121.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1479.836862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.836862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.836862 (E_RNA) where: Base-Base interactions energy: -984.128 where: short stacking energy: -433.877 Base-Backbone interact. energy: 0.861 local terms energy: -496.569172 where: bonds (distance) C4'-P energy: -94.179 bonds (distance) P-C4' energy: -103.938 flat angles C4'-P-C4' energy: -113.527 flat angles P-C4'-P energy: -75.878 tors. eta vs tors. theta energy: -109.047 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: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1302.091193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.091193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.091193 (E_RNA) where: Base-Base interactions energy: -853.178 where: short stacking energy: -356.484 Base-Backbone interact. energy: -1.386 local terms energy: -447.526862 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -112.523 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -68.201 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: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1025.624217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.624217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.624217 (E_RNA) where: Base-Base interactions energy: -628.679 where: short stacking energy: -309.576 Base-Backbone interact. energy: 7.606 local terms energy: -404.551526 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -92.938 flat angles C4'-P-C4' energy: -100.810 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -58.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -684.116850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.116850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.116850 (E_RNA) where: Base-Base interactions energy: -358.289 where: short stacking energy: -214.994 Base-Backbone interact. energy: 5.224 local terms energy: -331.051609 where: bonds (distance) C4'-P energy: -83.607 bonds (distance) P-C4' energy: -107.388 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -54.684 tors. eta vs tors. theta energy: -15.136 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: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -485.896719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.896719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.896719 (E_RNA) where: Base-Base interactions energy: -187.750 where: short stacking energy: -149.757 Base-Backbone interact. energy: 1.310 local terms energy: -299.457003 where: bonds (distance) C4'-P energy: -84.784 bonds (distance) P-C4' energy: -79.702 flat angles C4'-P-C4' energy: -89.473 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: 18.878 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: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2032.507450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.507450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.507450 (E_RNA) where: Base-Base interactions energy: -1393.634 where: short stacking energy: -635.047 Base-Backbone interact. energy: 1.206 local terms energy: -640.079521 where: bonds (distance) C4'-P energy: -122.837 bonds (distance) P-C4' energy: -115.299 flat angles C4'-P-C4' energy: -127.959 flat angles P-C4'-P energy: -92.659 tors. eta vs tors. theta energy: -181.325 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: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1966.982887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.982887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.982887 (E_RNA) where: Base-Base interactions energy: -1357.585 where: short stacking energy: -600.312 Base-Backbone interact. energy: -1.280 local terms energy: -608.118623 where: bonds (distance) C4'-P energy: -100.818 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -130.389 flat angles P-C4'-P energy: -77.814 tors. eta vs tors. theta energy: -174.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1808.421117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.421117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.421117 (E_RNA) where: Base-Base interactions energy: -1224.796 where: short stacking energy: -552.579 Base-Backbone interact. energy: 0.658 local terms energy: -584.283486 where: bonds (distance) C4'-P energy: -110.315 bonds (distance) P-C4' energy: -102.398 flat angles C4'-P-C4' energy: -130.826 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: -159.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1720.997815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.997815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.997815 (E_RNA) where: Base-Base interactions energy: -1183.289 where: short stacking energy: -507.345 Base-Backbone interact. energy: -1.337 local terms energy: -536.372129 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -98.524 flat angles C4'-P-C4' energy: -117.965 flat angles P-C4'-P energy: -68.892 tors. eta vs tors. theta energy: -148.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1551.554482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.554482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.554482 (E_RNA) where: Base-Base interactions energy: -1031.943 where: short stacking energy: -464.667 Base-Backbone interact. energy: -4.115 local terms energy: -515.496585 where: bonds (distance) C4'-P energy: -103.892 bonds (distance) P-C4' energy: -109.286 flat angles C4'-P-C4' energy: -113.500 flat angles P-C4'-P energy: -82.169 tors. eta vs tors. theta energy: -106.649 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: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1515.875201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.875201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.875201 (E_RNA) where: Base-Base interactions energy: -1003.881 where: short stacking energy: -447.802 Base-Backbone interact. energy: 1.349 local terms energy: -513.343263 where: bonds (distance) C4'-P energy: -100.637 bonds (distance) P-C4' energy: -90.566 flat angles C4'-P-C4' energy: -107.840 flat angles P-C4'-P energy: -86.188 tors. eta vs tors. theta energy: -128.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1365.348491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.348491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.348491 (E_RNA) where: Base-Base interactions energy: -879.918 where: short stacking energy: -391.919 Base-Backbone interact. energy: 0.552 local terms energy: -485.982116 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -113.699 flat angles C4'-P-C4' energy: -108.026 flat angles P-C4'-P energy: -78.086 tors. eta vs tors. theta energy: -80.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1012.083374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.083374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.083374 (E_RNA) where: Base-Base interactions energy: -632.531 where: short stacking energy: -314.747 Base-Backbone interact. energy: 1.507 local terms energy: -381.059430 where: bonds (distance) C4'-P energy: -82.299 bonds (distance) P-C4' energy: -104.541 flat angles C4'-P-C4' energy: -89.607 flat angles P-C4'-P energy: -51.091 tors. eta vs tors. theta energy: -53.523 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: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -714.139581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.139581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.139581 (E_RNA) where: Base-Base interactions energy: -376.864 where: short stacking energy: -216.134 Base-Backbone interact. energy: -1.489 local terms energy: -335.786563 where: bonds (distance) C4'-P energy: -80.943 bonds (distance) P-C4' energy: -95.909 flat angles C4'-P-C4' energy: -80.891 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -31.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -448.778039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.778039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.778039 (E_RNA) where: Base-Base interactions energy: -143.964 where: short stacking energy: -121.767 Base-Backbone interact. energy: 3.078 local terms energy: -307.891772 where: bonds (distance) C4'-P energy: -71.212 bonds (distance) P-C4' energy: -109.479 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -57.671 tors. eta vs tors. theta energy: 21.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2016.423081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.423081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.423081 (E_RNA) where: Base-Base interactions energy: -1405.491 where: short stacking energy: -600.127 Base-Backbone interact. energy: 0.185 local terms energy: -611.117273 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -108.955 flat angles C4'-P-C4' energy: -129.070 flat angles P-C4'-P energy: -86.721 tors. eta vs tors. theta energy: -177.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1980.325846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.325846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.325846 (E_RNA) where: Base-Base interactions energy: -1359.787 where: short stacking energy: -598.968 Base-Backbone interact. energy: -5.052 local terms energy: -615.487498 where: bonds (distance) C4'-P energy: -112.045 bonds (distance) P-C4' energy: -126.265 flat angles C4'-P-C4' energy: -121.530 flat angles P-C4'-P energy: -76.363 tors. eta vs tors. theta energy: -179.284 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: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1817.561603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.561603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.561603 (E_RNA) where: Base-Base interactions energy: -1221.928 where: short stacking energy: -533.367 Base-Backbone interact. energy: -1.239 local terms energy: -594.394602 where: bonds (distance) C4'-P energy: -105.656 bonds (distance) P-C4' energy: -127.544 flat angles C4'-P-C4' energy: -133.991 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -153.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1679.862940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.862940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.862940 (E_RNA) where: Base-Base interactions energy: -1119.607 where: short stacking energy: -486.623 Base-Backbone interact. energy: 0.052 local terms energy: -560.307850 where: bonds (distance) C4'-P energy: -104.551 bonds (distance) P-C4' energy: -110.581 flat angles C4'-P-C4' energy: -117.060 flat angles P-C4'-P energy: -87.769 tors. eta vs tors. theta energy: -140.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1549.598256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.598256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.598256 (E_RNA) where: Base-Base interactions energy: -1052.649 where: short stacking energy: -472.268 Base-Backbone interact. energy: -0.583 local terms energy: -496.366426 where: bonds (distance) C4'-P energy: -107.824 bonds (distance) P-C4' energy: -92.281 flat angles C4'-P-C4' energy: -105.446 flat angles P-C4'-P energy: -68.113 tors. eta vs tors. theta energy: -122.703 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: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1471.256163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.256163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.256163 (E_RNA) where: Base-Base interactions energy: -982.850 where: short stacking energy: -409.724 Base-Backbone interact. energy: -0.625 local terms energy: -487.780937 where: bonds (distance) C4'-P energy: -97.548 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -109.171 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -109.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1325.881014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.881014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.881014 (E_RNA) where: Base-Base interactions energy: -846.783 where: short stacking energy: -374.491 Base-Backbone interact. energy: 1.658 local terms energy: -480.755615 where: bonds (distance) C4'-P energy: -114.121 bonds (distance) P-C4' energy: -104.982 flat angles C4'-P-C4' energy: -103.467 flat angles P-C4'-P energy: -69.235 tors. eta vs tors. theta energy: -88.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1052.710296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.710296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.710296 (E_RNA) where: Base-Base interactions energy: -626.289 where: short stacking energy: -306.167 Base-Backbone interact. energy: -0.184 local terms energy: -426.237233 where: bonds (distance) C4'-P energy: -98.205 bonds (distance) P-C4' energy: -99.945 flat angles C4'-P-C4' energy: -101.454 flat angles P-C4'-P energy: -60.680 tors. eta vs tors. theta energy: -65.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -712.091150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.091150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.091150 (E_RNA) where: Base-Base interactions energy: -329.813 where: short stacking energy: -196.271 Base-Backbone interact. energy: -0.944 local terms energy: -381.334153 where: bonds (distance) C4'-P energy: -115.044 bonds (distance) P-C4' energy: -97.713 flat angles C4'-P-C4' energy: -90.714 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: -17.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -469.735779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.735779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.735779 (E_RNA) where: Base-Base interactions energy: -144.996 where: short stacking energy: -127.294 Base-Backbone interact. energy: 1.367 local terms energy: -326.106687 where: bonds (distance) C4'-P energy: -98.878 bonds (distance) P-C4' energy: -88.424 flat angles C4'-P-C4' energy: -103.328 flat angles P-C4'-P energy: -53.155 tors. eta vs tors. theta energy: 17.679 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: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2029.771665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.771665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.771665 (E_RNA) where: Base-Base interactions energy: -1387.295 where: short stacking energy: -615.739 Base-Backbone interact. energy: -2.533 local terms energy: -639.943781 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -180.615 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: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1999.855031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.855031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.855031 (E_RNA) where: Base-Base interactions energy: -1384.838 where: short stacking energy: -599.610 Base-Backbone interact. energy: 0.355 local terms energy: -615.371937 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -107.921 flat angles C4'-P-C4' energy: -130.203 flat angles P-C4'-P energy: -91.022 tors. eta vs tors. theta energy: -177.636 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: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1807.415799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.415799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.415799 (E_RNA) where: Base-Base interactions energy: -1224.287 where: short stacking energy: -557.000 Base-Backbone interact. energy: -1.605 local terms energy: -581.523797 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -115.079 flat angles C4'-P-C4' energy: -117.295 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -160.573 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: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1698.088112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.088112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.088112 (E_RNA) where: Base-Base interactions energy: -1139.186 where: short stacking energy: -488.965 Base-Backbone interact. energy: -2.100 local terms energy: -556.802679 where: bonds (distance) C4'-P energy: -110.015 bonds (distance) P-C4' energy: -118.111 flat angles C4'-P-C4' energy: -112.543 flat angles P-C4'-P energy: -77.387 tors. eta vs tors. theta energy: -138.746 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: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1630.494653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.494653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.494653 (E_RNA) where: Base-Base interactions energy: -1073.766 where: short stacking energy: -481.812 Base-Backbone interact. energy: -2.925 local terms energy: -553.803719 where: bonds (distance) C4'-P energy: -104.242 bonds (distance) P-C4' energy: -119.254 flat angles C4'-P-C4' energy: -122.833 flat angles P-C4'-P energy: -68.641 tors. eta vs tors. theta energy: -138.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1463.739987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.739987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.739987 (E_RNA) where: Base-Base interactions energy: -963.199 where: short stacking energy: -417.739 Base-Backbone interact. energy: 1.973 local terms energy: -502.514162 where: bonds (distance) C4'-P energy: -102.603 bonds (distance) P-C4' energy: -104.776 flat angles C4'-P-C4' energy: -112.540 flat angles P-C4'-P energy: -69.017 tors. eta vs tors. theta energy: -113.578 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: 364 Temperature: 1.200000 Total energy: -1374.409197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.409197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.409197 (E_RNA) where: Base-Base interactions energy: -905.338 where: short stacking energy: -412.790 Base-Backbone interact. energy: 0.588 local terms energy: -469.659394 where: bonds (distance) C4'-P energy: -97.905 bonds (distance) P-C4' energy: -106.058 flat angles C4'-P-C4' energy: -106.828 flat angles P-C4'-P energy: -55.175 tors. eta vs tors. theta energy: -103.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1068.709108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.709108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.709108 (E_RNA) where: Base-Base interactions energy: -672.432 where: short stacking energy: -292.369 Base-Backbone interact. energy: 1.172 local terms energy: -397.449253 where: bonds (distance) C4'-P energy: -90.500 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -98.330 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: -66.926 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: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -691.063362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.063362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.063362 (E_RNA) where: Base-Base interactions energy: -335.887 where: short stacking energy: -193.675 Base-Backbone interact. energy: -1.179 local terms energy: -353.996711 where: bonds (distance) C4'-P energy: -98.142 bonds (distance) P-C4' energy: -89.763 flat angles C4'-P-C4' energy: -86.229 flat angles P-C4'-P energy: -68.276 tors. eta vs tors. theta energy: -11.588 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: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -474.972022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.972022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.972022 (E_RNA) where: Base-Base interactions energy: -178.605 where: short stacking energy: -138.140 Base-Backbone interact. energy: 6.085 local terms energy: -302.452584 where: bonds (distance) C4'-P energy: -99.002 bonds (distance) P-C4' energy: -102.283 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: 10.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2007.766372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.766372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.766372 (E_RNA) where: Base-Base interactions energy: -1372.168 where: short stacking energy: -594.184 Base-Backbone interact. energy: -0.539 local terms energy: -635.059495 where: bonds (distance) C4'-P energy: -123.414 bonds (distance) P-C4' energy: -118.495 flat angles C4'-P-C4' energy: -134.377 flat angles P-C4'-P energy: -80.813 tors. eta vs tors. theta energy: -177.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1875.475417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.475417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.475417 (E_RNA) where: Base-Base interactions energy: -1295.554 where: short stacking energy: -608.781 Base-Backbone interact. energy: 2.619 local terms energy: -582.540882 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -101.766 flat angles C4'-P-C4' energy: -120.149 flat angles P-C4'-P energy: -89.682 tors. eta vs tors. theta energy: -168.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1920.572704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.572704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.572704 (E_RNA) where: Base-Base interactions energy: -1333.292 where: short stacking energy: -566.070 Base-Backbone interact. energy: -0.366 local terms energy: -586.913780 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -92.444 flat angles C4'-P-C4' energy: -121.990 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -170.675 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: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1689.298579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.298579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.298579 (E_RNA) where: Base-Base interactions energy: -1139.610 where: short stacking energy: -471.047 Base-Backbone interact. energy: -1.243 local terms energy: -548.444930 where: bonds (distance) C4'-P energy: -109.440 bonds (distance) P-C4' energy: -120.827 flat angles C4'-P-C4' energy: -116.370 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: -129.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1641.474633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.474633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.474633 (E_RNA) where: Base-Base interactions energy: -1099.562 where: short stacking energy: -486.864 Base-Backbone interact. energy: -0.480 local terms energy: -541.432366 where: bonds (distance) C4'-P energy: -105.626 bonds (distance) P-C4' energy: -107.398 flat angles C4'-P-C4' energy: -122.007 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -135.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1458.335832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.335832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.335832 (E_RNA) where: Base-Base interactions energy: -954.958 where: short stacking energy: -435.066 Base-Backbone interact. energy: 0.894 local terms energy: -504.271243 where: bonds (distance) C4'-P energy: -108.043 bonds (distance) P-C4' energy: -102.784 flat angles C4'-P-C4' energy: -116.174 flat angles P-C4'-P energy: -68.998 tors. eta vs tors. theta energy: -108.273 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: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1393.179062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.179062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.179062 (E_RNA) where: Base-Base interactions energy: -940.929 where: short stacking energy: -399.930 Base-Backbone interact. energy: -2.818 local terms energy: -449.432039 where: bonds (distance) C4'-P energy: -96.725 bonds (distance) P-C4' energy: -101.434 flat angles C4'-P-C4' energy: -98.369 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -109.962 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: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1105.416814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.416814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.416814 (E_RNA) where: Base-Base interactions energy: -704.547 where: short stacking energy: -327.077 Base-Backbone interact. energy: -1.678 local terms energy: -399.192091 where: bonds (distance) C4'-P energy: -94.310 bonds (distance) P-C4' energy: -87.423 flat angles C4'-P-C4' energy: -99.362 flat angles P-C4'-P energy: -59.070 tors. eta vs tors. theta energy: -59.027 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: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -713.804959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.804959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.804959 (E_RNA) where: Base-Base interactions energy: -397.359 where: short stacking energy: -221.659 Base-Backbone interact. energy: 12.849 local terms energy: -329.295512 where: bonds (distance) C4'-P energy: -86.856 bonds (distance) P-C4' energy: -96.521 flat angles C4'-P-C4' energy: -74.313 flat angles P-C4'-P energy: -38.589 tors. eta vs tors. theta energy: -33.017 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: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -468.497361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.497361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.497361 (E_RNA) where: Base-Base interactions energy: -180.942 where: short stacking energy: -110.210 Base-Backbone interact. energy: 1.582 local terms energy: -289.137404 where: bonds (distance) C4'-P energy: -97.264 bonds (distance) P-C4' energy: -90.381 flat angles C4'-P-C4' energy: -81.910 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: 19.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1976.926705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.926705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.926705 (E_RNA) where: Base-Base interactions energy: -1356.051 where: short stacking energy: -598.404 Base-Backbone interact. energy: -1.777 local terms energy: -619.097874 where: bonds (distance) C4'-P energy: -109.313 bonds (distance) P-C4' energy: -110.931 flat angles C4'-P-C4' energy: -127.289 flat angles P-C4'-P energy: -97.573 tors. eta vs tors. theta energy: -173.992 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: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1863.643475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.643475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.643475 (E_RNA) where: Base-Base interactions energy: -1266.386 where: short stacking energy: -575.756 Base-Backbone interact. energy: -0.309 local terms energy: -596.948407 where: bonds (distance) C4'-P energy: -103.863 bonds (distance) P-C4' energy: -119.151 flat angles C4'-P-C4' energy: -126.907 flat angles P-C4'-P energy: -82.031 tors. eta vs tors. theta energy: -164.997 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: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1930.911946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.911946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.911946 (E_RNA) where: Base-Base interactions energy: -1337.259 where: short stacking energy: -601.350 Base-Backbone interact. energy: -0.407 local terms energy: -593.245689 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -105.996 flat angles C4'-P-C4' energy: -123.303 flat angles P-C4'-P energy: -88.926 tors. eta vs tors. theta energy: -177.631 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: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1685.590042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.590042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.590042 (E_RNA) where: Base-Base interactions energy: -1155.993 where: short stacking energy: -490.287 Base-Backbone interact. energy: -1.835 local terms energy: -527.761492 where: bonds (distance) C4'-P energy: -80.316 bonds (distance) P-C4' energy: -101.011 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -84.224 tors. eta vs tors. theta energy: -130.785 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: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1695.656472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.656472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.656472 (E_RNA) where: Base-Base interactions energy: -1144.919 where: short stacking energy: -521.976 Base-Backbone interact. energy: -3.903 local terms energy: -546.833884 where: bonds (distance) C4'-P energy: -105.702 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -118.664 flat angles P-C4'-P energy: -80.976 tors. eta vs tors. theta energy: -149.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1476.700953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.700953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.700953 (E_RNA) where: Base-Base interactions energy: -957.164 where: short stacking energy: -431.337 Base-Backbone interact. energy: -1.704 local terms energy: -517.832743 where: bonds (distance) C4'-P energy: -101.985 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -112.885 flat angles P-C4'-P energy: -77.052 tors. eta vs tors. theta energy: -115.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1359.529796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.529796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.529796 (E_RNA) where: Base-Base interactions energy: -888.453 where: short stacking energy: -389.772 Base-Backbone interact. energy: -1.762 local terms energy: -469.314835 where: bonds (distance) C4'-P energy: -105.197 bonds (distance) P-C4' energy: -97.119 flat angles C4'-P-C4' energy: -107.022 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -89.530 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: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1085.149250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.149250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.149250 (E_RNA) where: Base-Base interactions energy: -674.977 where: short stacking energy: -324.234 Base-Backbone interact. energy: -1.815 local terms energy: -408.357105 where: bonds (distance) C4'-P energy: -98.291 bonds (distance) P-C4' energy: -105.031 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -46.774 tors. eta vs tors. theta energy: -59.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -678.730804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.730804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.730804 (E_RNA) where: Base-Base interactions energy: -340.184 where: short stacking energy: -188.972 Base-Backbone interact. energy: 1.072 local terms energy: -339.618495 where: bonds (distance) C4'-P energy: -110.082 bonds (distance) P-C4' energy: -83.762 flat angles C4'-P-C4' energy: -69.995 flat angles P-C4'-P energy: -63.357 tors. eta vs tors. theta energy: -12.423 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: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -502.816483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.816483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.816483 (E_RNA) where: Base-Base interactions energy: -214.934 where: short stacking energy: -149.751 Base-Backbone interact. energy: 2.272 local terms energy: -290.154707 where: bonds (distance) C4'-P energy: -75.297 bonds (distance) P-C4' energy: -93.332 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: 8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2013.085839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.085839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.085839 (E_RNA) where: Base-Base interactions energy: -1363.754 where: short stacking energy: -599.744 Base-Backbone interact. energy: -1.798 local terms energy: -647.533713 where: bonds (distance) C4'-P energy: -114.127 bonds (distance) P-C4' energy: -124.607 flat angles C4'-P-C4' energy: -128.375 flat angles P-C4'-P energy: -91.588 tors. eta vs tors. theta energy: -188.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1895.014031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.014031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.014031 (E_RNA) where: Base-Base interactions energy: -1280.587 where: short stacking energy: -608.634 Base-Backbone interact. energy: -0.135 local terms energy: -614.292426 where: bonds (distance) C4'-P energy: -104.967 bonds (distance) P-C4' energy: -113.420 flat angles C4'-P-C4' energy: -128.157 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -182.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1875.717721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.717721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.717721 (E_RNA) where: Base-Base interactions energy: -1310.315 where: short stacking energy: -558.893 Base-Backbone interact. energy: -2.184 local terms energy: -563.218649 where: bonds (distance) C4'-P energy: -104.494 bonds (distance) P-C4' energy: -103.562 flat angles C4'-P-C4' energy: -120.703 flat angles P-C4'-P energy: -82.018 tors. eta vs tors. theta energy: -152.441 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: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1709.341118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.341118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.341118 (E_RNA) where: Base-Base interactions energy: -1169.936 where: short stacking energy: -527.241 Base-Backbone interact. energy: -3.246 local terms energy: -536.159830 where: bonds (distance) C4'-P energy: -97.143 bonds (distance) P-C4' energy: -84.515 flat angles C4'-P-C4' energy: -130.257 flat angles P-C4'-P energy: -66.778 tors. eta vs tors. theta energy: -157.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1636.124734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.124734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.124734 (E_RNA) where: Base-Base interactions energy: -1127.300 where: short stacking energy: -471.578 Base-Backbone interact. energy: 0.773 local terms energy: -509.598048 where: bonds (distance) C4'-P energy: -98.280 bonds (distance) P-C4' energy: -104.028 flat angles C4'-P-C4' energy: -105.179 flat angles P-C4'-P energy: -63.160 tors. eta vs tors. theta energy: -138.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1467.910476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.910476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.910476 (E_RNA) where: Base-Base interactions energy: -980.759 where: short stacking energy: -414.431 Base-Backbone interact. energy: -2.045 local terms energy: -485.106795 where: bonds (distance) C4'-P energy: -91.222 bonds (distance) P-C4' energy: -101.356 flat angles C4'-P-C4' energy: -108.589 flat angles P-C4'-P energy: -78.633 tors. eta vs tors. theta energy: -105.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1342.861059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.861059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.861059 (E_RNA) where: Base-Base interactions energy: -897.607 where: short stacking energy: -390.126 Base-Backbone interact. energy: -2.700 local terms energy: -442.553822 where: bonds (distance) C4'-P energy: -81.418 bonds (distance) P-C4' energy: -117.907 flat angles C4'-P-C4' energy: -102.241 flat angles P-C4'-P energy: -65.517 tors. eta vs tors. theta energy: -75.470 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: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1064.920491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.920491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.920491 (E_RNA) where: Base-Base interactions energy: -649.748 where: short stacking energy: -290.012 Base-Backbone interact. energy: -1.497 local terms energy: -413.675488 where: bonds (distance) C4'-P energy: -95.151 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -94.782 flat angles P-C4'-P energy: -70.960 tors. eta vs tors. theta energy: -60.208 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: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -660.803430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.803430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.803430 (E_RNA) where: Base-Base interactions energy: -326.853 where: short stacking energy: -186.335 Base-Backbone interact. energy: 3.119 local terms energy: -337.069629 where: bonds (distance) C4'-P energy: -98.530 bonds (distance) P-C4' energy: -103.050 flat angles C4'-P-C4' energy: -77.080 flat angles P-C4'-P energy: -67.941 tors. eta vs tors. theta energy: 9.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -486.233594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.233594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.233594 (E_RNA) where: Base-Base interactions energy: -175.531 where: short stacking energy: -125.571 Base-Backbone interact. energy: -1.660 local terms energy: -309.042314 where: bonds (distance) C4'-P energy: -98.251 bonds (distance) P-C4' energy: -101.229 flat angles C4'-P-C4' energy: -78.666 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: 8.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2003.272091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.272091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.272091 (E_RNA) where: Base-Base interactions energy: -1381.169 where: short stacking energy: -606.046 Base-Backbone interact. energy: -2.845 local terms energy: -619.257871 where: bonds (distance) C4'-P energy: -109.528 bonds (distance) P-C4' energy: -103.314 flat angles C4'-P-C4' energy: -132.724 flat angles P-C4'-P energy: -83.499 tors. eta vs tors. theta energy: -190.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1894.323803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.323803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.323803 (E_RNA) where: Base-Base interactions energy: -1293.207 where: short stacking energy: -584.030 Base-Backbone interact. energy: -4.268 local terms energy: -596.849112 where: bonds (distance) C4'-P energy: -103.831 bonds (distance) P-C4' energy: -93.490 flat angles C4'-P-C4' energy: -132.993 flat angles P-C4'-P energy: -89.573 tors. eta vs tors. theta energy: -176.962 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: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1798.445169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.445169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.445169 (E_RNA) where: Base-Base interactions energy: -1208.874 where: short stacking energy: -550.836 Base-Backbone interact. energy: -3.515 local terms energy: -586.055896 where: bonds (distance) C4'-P energy: -101.356 bonds (distance) P-C4' energy: -111.684 flat angles C4'-P-C4' energy: -124.300 flat angles P-C4'-P energy: -94.267 tors. eta vs tors. theta energy: -154.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1807.926860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.926860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.926860 (E_RNA) where: Base-Base interactions energy: -1252.768 where: short stacking energy: -528.940 Base-Backbone interact. energy: -0.902 local terms energy: -554.255995 where: bonds (distance) C4'-P energy: -89.106 bonds (distance) P-C4' energy: -103.658 flat angles C4'-P-C4' energy: -118.594 flat angles P-C4'-P energy: -88.626 tors. eta vs tors. theta energy: -154.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1618.511336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.511336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.511336 (E_RNA) where: Base-Base interactions energy: -1086.510 where: short stacking energy: -466.388 Base-Backbone interact. energy: -2.072 local terms energy: -529.929918 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -99.840 flat angles C4'-P-C4' energy: -115.154 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -126.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1477.849908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.849908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.849908 (E_RNA) where: Base-Base interactions energy: -988.806 where: short stacking energy: -428.197 Base-Backbone interact. energy: -1.322 local terms energy: -487.722496 where: bonds (distance) C4'-P energy: -106.418 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -93.780 flat angles P-C4'-P energy: -66.208 tors. eta vs tors. theta energy: -108.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1307.373495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.373495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.373495 (E_RNA) where: Base-Base interactions energy: -850.725 where: short stacking energy: -383.054 Base-Backbone interact. energy: 0.526 local terms energy: -457.175165 where: bonds (distance) C4'-P energy: -108.443 bonds (distance) P-C4' energy: -96.034 flat angles C4'-P-C4' energy: -107.866 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -85.499 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: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1082.328215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.328215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.328215 (E_RNA) where: Base-Base interactions energy: -684.488 where: short stacking energy: -326.495 Base-Backbone interact. energy: -0.490 local terms energy: -397.350184 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -87.755 flat angles C4'-P-C4' energy: -102.444 flat angles P-C4'-P energy: -45.562 tors. eta vs tors. theta energy: -58.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -659.907840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.907840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.907840 (E_RNA) where: Base-Base interactions energy: -332.621 where: short stacking energy: -189.224 Base-Backbone interact. energy: -1.189 local terms energy: -326.097752 where: bonds (distance) C4'-P energy: -84.863 bonds (distance) P-C4' energy: -83.723 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -73.969 tors. eta vs tors. theta energy: -3.517 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: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -490.296779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.296779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.296779 (E_RNA) where: Base-Base interactions energy: -188.081 where: short stacking energy: -121.911 Base-Backbone interact. energy: 2.019 local terms energy: -304.234388 where: bonds (distance) C4'-P energy: -88.322 bonds (distance) P-C4' energy: -113.980 flat angles C4'-P-C4' energy: -84.768 flat angles P-C4'-P energy: -45.493 tors. eta vs tors. theta energy: 28.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2035.784433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.784433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.784433 (E_RNA) where: Base-Base interactions energy: -1374.653 where: short stacking energy: -620.673 Base-Backbone interact. energy: -1.259 local terms energy: -659.872250 where: bonds (distance) C4'-P energy: -116.932 bonds (distance) P-C4' energy: -124.219 flat angles C4'-P-C4' energy: -128.609 flat angles P-C4'-P energy: -95.122 tors. eta vs tors. theta energy: -194.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1868.128910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.128910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.128910 (E_RNA) where: Base-Base interactions energy: -1268.079 where: short stacking energy: -567.881 Base-Backbone interact. energy: -0.884 local terms energy: -599.166200 where: bonds (distance) C4'-P energy: -109.201 bonds (distance) P-C4' energy: -107.536 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -87.454 tors. eta vs tors. theta energy: -163.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1807.149215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.149215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.149215 (E_RNA) where: Base-Base interactions energy: -1237.367 where: short stacking energy: -556.426 Base-Backbone interact. energy: 0.841 local terms energy: -570.623051 where: bonds (distance) C4'-P energy: -95.779 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -115.684 flat angles P-C4'-P energy: -91.828 tors. eta vs tors. theta energy: -169.320 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: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1808.464252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.464252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.464252 (E_RNA) where: Base-Base interactions energy: -1255.249 where: short stacking energy: -522.388 Base-Backbone interact. energy: -1.873 local terms energy: -551.342663 where: bonds (distance) C4'-P energy: -105.941 bonds (distance) P-C4' energy: -96.408 flat angles C4'-P-C4' energy: -118.467 flat angles P-C4'-P energy: -74.029 tors. eta vs tors. theta energy: -156.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1592.426107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.426107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.426107 (E_RNA) where: Base-Base interactions energy: -1109.803 where: short stacking energy: -463.180 Base-Backbone interact. energy: -1.993 local terms energy: -480.630661 where: bonds (distance) C4'-P energy: -74.535 bonds (distance) P-C4' energy: -101.234 flat angles C4'-P-C4' energy: -103.701 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: -120.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1453.119190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.119190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.119190 (E_RNA) where: Base-Base interactions energy: -960.625 where: short stacking energy: -393.974 Base-Backbone interact. energy: -2.384 local terms energy: -490.110620 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -112.172 flat angles C4'-P-C4' energy: -104.374 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -106.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1291.100232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.100232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.100232 (E_RNA) where: Base-Base interactions energy: -829.788 where: short stacking energy: -352.947 Base-Backbone interact. energy: 5.388 local terms energy: -466.700391 where: bonds (distance) C4'-P energy: -89.881 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -104.057 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -82.660 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: 369 Temperature: 1.250000 Total energy: -1091.528274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.528274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.528274 (E_RNA) where: Base-Base interactions energy: -661.890 where: short stacking energy: -334.082 Base-Backbone interact. energy: 0.489 local terms energy: -430.126775 where: bonds (distance) C4'-P energy: -94.326 bonds (distance) P-C4' energy: -101.013 flat angles C4'-P-C4' energy: -106.264 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -64.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -684.291365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.291365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.291365 (E_RNA) where: Base-Base interactions energy: -354.127 where: short stacking energy: -200.862 Base-Backbone interact. energy: 1.207 local terms energy: -331.371211 where: bonds (distance) C4'-P energy: -94.989 bonds (distance) P-C4' energy: -84.887 flat angles C4'-P-C4' energy: -97.961 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -471.261865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.261865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.261865 (E_RNA) where: Base-Base interactions energy: -204.793 where: short stacking energy: -127.330 Base-Backbone interact. energy: 4.818 local terms energy: -271.287032 where: bonds (distance) C4'-P energy: -74.195 bonds (distance) P-C4' energy: -93.344 flat angles C4'-P-C4' energy: -88.733 flat angles P-C4'-P energy: -37.060 tors. eta vs tors. theta energy: 22.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2002.427482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.427482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.427482 (E_RNA) where: Base-Base interactions energy: -1378.700 where: short stacking energy: -601.855 Base-Backbone interact. energy: 2.007 local terms energy: -625.734559 where: bonds (distance) C4'-P energy: -120.384 bonds (distance) P-C4' energy: -91.493 flat angles C4'-P-C4' energy: -136.001 flat angles P-C4'-P energy: -95.129 tors. eta vs tors. theta energy: -182.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1908.891431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.891431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.891431 (E_RNA) where: Base-Base interactions energy: -1263.464 where: short stacking energy: -584.740 Base-Backbone interact. energy: -0.224 local terms energy: -645.203696 where: bonds (distance) C4'-P energy: -120.782 bonds (distance) P-C4' energy: -126.310 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -91.026 tors. eta vs tors. theta energy: -171.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1863.702140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.702140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.702140 (E_RNA) where: Base-Base interactions energy: -1286.807 where: short stacking energy: -544.691 Base-Backbone interact. energy: -3.918 local terms energy: -572.977342 where: bonds (distance) C4'-P energy: -102.952 bonds (distance) P-C4' energy: -106.676 flat angles C4'-P-C4' energy: -127.898 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -161.116 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: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1758.274841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.274841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.274841 (E_RNA) where: Base-Base interactions energy: -1193.147 where: short stacking energy: -514.970 Base-Backbone interact. energy: -3.445 local terms energy: -561.683383 where: bonds (distance) C4'-P energy: -106.681 bonds (distance) P-C4' energy: -97.324 flat angles C4'-P-C4' energy: -126.337 flat angles P-C4'-P energy: -71.085 tors. eta vs tors. theta energy: -160.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1579.528703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.528703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.528703 (E_RNA) where: Base-Base interactions energy: -1065.313 where: short stacking energy: -446.498 Base-Backbone interact. energy: -2.074 local terms energy: -512.142484 where: bonds (distance) C4'-P energy: -94.493 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -113.359 flat angles P-C4'-P energy: -82.595 tors. eta vs tors. theta energy: -110.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1457.144219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.144219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.144219 (E_RNA) where: Base-Base interactions energy: -975.821 where: short stacking energy: -417.545 Base-Backbone interact. energy: -2.267 local terms energy: -479.056590 where: bonds (distance) C4'-P energy: -96.315 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -106.106 flat angles P-C4'-P energy: -72.583 tors. eta vs tors. theta energy: -95.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1364.560365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.560365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.560365 (E_RNA) where: Base-Base interactions energy: -919.916 where: short stacking energy: -411.127 Base-Backbone interact. energy: -2.958 local terms energy: -441.686900 where: bonds (distance) C4'-P energy: -83.576 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -87.368 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -96.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1082.135995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.135995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.135995 (E_RNA) where: Base-Base interactions energy: -665.330 where: short stacking energy: -330.038 Base-Backbone interact. energy: -0.763 local terms energy: -416.042606 where: bonds (distance) C4'-P energy: -86.569 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -83.049 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -66.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -660.162599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.162599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.162599 (E_RNA) where: Base-Base interactions energy: -334.029 where: short stacking energy: -230.429 Base-Backbone interact. energy: 4.389 local terms energy: -330.522560 where: bonds (distance) C4'-P energy: -74.960 bonds (distance) P-C4' energy: -95.608 flat angles C4'-P-C4' energy: -77.976 flat angles P-C4'-P energy: -62.592 tors. eta vs tors. theta energy: -19.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -471.977413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.977413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.977413 (E_RNA) where: Base-Base interactions energy: -146.054 where: short stacking energy: -118.423 Base-Backbone interact. energy: 3.546 local terms energy: -329.469359 where: bonds (distance) C4'-P energy: -98.607 bonds (distance) P-C4' energy: -88.739 flat angles C4'-P-C4' energy: -94.904 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: 0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2037.182089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.182089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.182089 (E_RNA) where: Base-Base interactions energy: -1385.296 where: short stacking energy: -611.520 Base-Backbone interact. energy: -3.472 local terms energy: -648.413718 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -121.134 flat angles C4'-P-C4' energy: -134.481 flat angles P-C4'-P energy: -91.268 tors. eta vs tors. theta energy: -184.887 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: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1913.050295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.050295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.050295 (E_RNA) where: Base-Base interactions energy: -1260.176 where: short stacking energy: -563.084 Base-Backbone interact. energy: 0.113 local terms energy: -652.986760 where: bonds (distance) C4'-P energy: -125.079 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -135.948 flat angles P-C4'-P energy: -94.143 tors. eta vs tors. theta energy: -175.290 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: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1922.278536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.278536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.278536 (E_RNA) where: Base-Base interactions energy: -1321.378 where: short stacking energy: -578.036 Base-Backbone interact. energy: -2.268 local terms energy: -598.632383 where: bonds (distance) C4'-P energy: -113.733 bonds (distance) P-C4' energy: -102.893 flat angles C4'-P-C4' energy: -137.573 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -167.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1755.272177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.272177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.272177 (E_RNA) where: Base-Base interactions energy: -1140.120 where: short stacking energy: -503.089 Base-Backbone interact. energy: -5.125 local terms energy: -610.026783 where: bonds (distance) C4'-P energy: -123.252 bonds (distance) P-C4' energy: -113.401 flat angles C4'-P-C4' energy: -121.137 flat angles P-C4'-P energy: -94.067 tors. eta vs tors. theta energy: -158.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1609.482606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.482606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.482606 (E_RNA) where: Base-Base interactions energy: -1072.647 where: short stacking energy: -470.994 Base-Backbone interact. energy: -0.834 local terms energy: -536.001546 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -110.899 flat angles C4'-P-C4' energy: -120.347 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -120.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1439.764985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.764985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.764985 (E_RNA) where: Base-Base interactions energy: -981.620 where: short stacking energy: -405.634 Base-Backbone interact. energy: 4.128 local terms energy: -462.273143 where: bonds (distance) C4'-P energy: -92.125 bonds (distance) P-C4' energy: -101.151 flat angles C4'-P-C4' energy: -96.903 flat angles P-C4'-P energy: -73.445 tors. eta vs tors. theta energy: -98.650 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: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1318.879338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.879338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.879338 (E_RNA) where: Base-Base interactions energy: -851.992 where: short stacking energy: -368.475 Base-Backbone interact. energy: -0.533 local terms energy: -466.354926 where: bonds (distance) C4'-P energy: -100.164 bonds (distance) P-C4' energy: -100.470 flat angles C4'-P-C4' energy: -108.677 flat angles P-C4'-P energy: -62.355 tors. eta vs tors. theta energy: -94.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1114.495218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.495218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.495218 (E_RNA) where: Base-Base interactions energy: -716.904 where: short stacking energy: -315.589 Base-Backbone interact. energy: -2.718 local terms energy: -394.873480 where: bonds (distance) C4'-P energy: -94.507 bonds (distance) P-C4' energy: -81.547 flat angles C4'-P-C4' energy: -101.326 flat angles P-C4'-P energy: -59.372 tors. eta vs tors. theta energy: -58.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -614.034478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.034478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.034478 (E_RNA) where: Base-Base interactions energy: -289.974 where: short stacking energy: -188.409 Base-Backbone interact. energy: -0.363 local terms energy: -323.698146 where: bonds (distance) C4'-P energy: -86.659 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -85.085 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -483.892852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.892852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.892852 (E_RNA) where: Base-Base interactions energy: -197.400 where: short stacking energy: -144.835 Base-Backbone interact. energy: 2.308 local terms energy: -288.800781 where: bonds (distance) C4'-P energy: -84.122 bonds (distance) P-C4' energy: -102.134 flat angles C4'-P-C4' energy: -62.665 flat angles P-C4'-P energy: -50.294 tors. eta vs tors. theta energy: 10.414 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2023.103928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.103928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.103928 (E_RNA) where: Base-Base interactions energy: -1364.397 where: short stacking energy: -600.231 Base-Backbone interact. energy: -3.926 local terms energy: -654.780256 where: bonds (distance) C4'-P energy: -118.626 bonds (distance) P-C4' energy: -117.744 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -92.000 tors. eta vs tors. theta energy: -188.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1887.605887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.605887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.605887 (E_RNA) where: Base-Base interactions energy: -1253.494 where: short stacking energy: -564.883 Base-Backbone interact. energy: -3.758 local terms energy: -630.354008 where: bonds (distance) C4'-P energy: -104.503 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -134.219 flat angles P-C4'-P energy: -93.696 tors. eta vs tors. theta energy: -178.316 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: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1912.000222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.000222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.000222 (E_RNA) where: Base-Base interactions energy: -1318.150 where: short stacking energy: -586.655 Base-Backbone interact. energy: 0.853 local terms energy: -594.703616 where: bonds (distance) C4'-P energy: -98.788 bonds (distance) P-C4' energy: -113.051 flat angles C4'-P-C4' energy: -126.943 flat angles P-C4'-P energy: -82.235 tors. eta vs tors. theta energy: -173.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1759.162952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.162952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.162952 (E_RNA) where: Base-Base interactions energy: -1167.559 where: short stacking energy: -509.893 Base-Backbone interact. energy: -2.392 local terms energy: -589.211937 where: bonds (distance) C4'-P energy: -116.688 bonds (distance) P-C4' energy: -116.157 flat angles C4'-P-C4' energy: -123.951 flat angles P-C4'-P energy: -78.488 tors. eta vs tors. theta energy: -153.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1606.388797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.388797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.388797 (E_RNA) where: Base-Base interactions energy: -1100.296 where: short stacking energy: -475.778 Base-Backbone interact. energy: 2.725 local terms energy: -508.817393 where: bonds (distance) C4'-P energy: -95.341 bonds (distance) P-C4' energy: -98.820 flat angles C4'-P-C4' energy: -123.359 flat angles P-C4'-P energy: -60.913 tors. eta vs tors. theta energy: -130.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1467.436519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.436519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.436519 (E_RNA) where: Base-Base interactions energy: -976.327 where: short stacking energy: -436.728 Base-Backbone interact. energy: 1.701 local terms energy: -492.810096 where: bonds (distance) C4'-P energy: -96.331 bonds (distance) P-C4' energy: -87.344 flat angles C4'-P-C4' energy: -116.641 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -129.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1337.579525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.579525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.579525 (E_RNA) where: Base-Base interactions energy: -874.674 where: short stacking energy: -416.065 Base-Backbone interact. energy: -1.906 local terms energy: -460.999590 where: bonds (distance) C4'-P energy: -94.825 bonds (distance) P-C4' energy: -83.275 flat angles C4'-P-C4' energy: -108.733 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -103.882 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: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1166.395552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.395552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.395552 (E_RNA) where: Base-Base interactions energy: -736.782 where: short stacking energy: -324.005 Base-Backbone interact. energy: -1.214 local terms energy: -428.400070 where: bonds (distance) C4'-P energy: -90.699 bonds (distance) P-C4' energy: -106.967 flat angles C4'-P-C4' energy: -83.947 flat angles P-C4'-P energy: -61.959 tors. eta vs tors. theta energy: -84.828 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: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -630.394484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.394484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.394484 (E_RNA) where: Base-Base interactions energy: -306.494 where: short stacking energy: -190.059 Base-Backbone interact. energy: -0.484 local terms energy: -323.416505 where: bonds (distance) C4'-P energy: -93.251 bonds (distance) P-C4' energy: -103.614 flat angles C4'-P-C4' energy: -75.676 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: -8.775 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -626.581827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.581827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.581827 (E_RNA) where: Base-Base interactions energy: -304.333 where: short stacking energy: -176.121 Base-Backbone interact. energy: 0.786 local terms energy: -323.034784 where: bonds (distance) C4'-P energy: -92.299 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -77.743 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -10.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1993.088858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.088858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.088858 (E_RNA) where: Base-Base interactions energy: -1354.800 where: short stacking energy: -614.426 Base-Backbone interact. energy: 0.453 local terms energy: -638.741361 where: bonds (distance) C4'-P energy: -135.090 bonds (distance) P-C4' energy: -105.697 flat angles C4'-P-C4' energy: -130.158 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -181.185 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: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1992.567399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.567399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.567399 (E_RNA) where: Base-Base interactions energy: -1374.947 where: short stacking energy: -593.875 Base-Backbone interact. energy: -3.943 local terms energy: -613.677559 where: bonds (distance) C4'-P energy: -116.902 bonds (distance) P-C4' energy: -109.661 flat angles C4'-P-C4' energy: -117.550 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -183.858 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: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1832.781269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.781269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.781269 (E_RNA) where: Base-Base interactions energy: -1271.062 where: short stacking energy: -566.999 Base-Backbone interact. energy: -3.657 local terms energy: -558.062286 where: bonds (distance) C4'-P energy: -89.965 bonds (distance) P-C4' energy: -108.483 flat angles C4'-P-C4' energy: -118.877 flat angles P-C4'-P energy: -76.247 tors. eta vs tors. theta energy: -164.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1777.764224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.764224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.764224 (E_RNA) where: Base-Base interactions energy: -1208.667 where: short stacking energy: -524.157 Base-Backbone interact. energy: -1.196 local terms energy: -567.902001 where: bonds (distance) C4'-P energy: -95.691 bonds (distance) P-C4' energy: -118.064 flat angles C4'-P-C4' energy: -123.035 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -163.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1602.318500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.318500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.318500 (E_RNA) where: Base-Base interactions energy: -1078.712 where: short stacking energy: -459.462 Base-Backbone interact. energy: 5.390 local terms energy: -528.995699 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -111.392 flat angles C4'-P-C4' energy: -113.597 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -122.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1390.236611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.236611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.236611 (E_RNA) where: Base-Base interactions energy: -945.830 where: short stacking energy: -400.001 Base-Backbone interact. energy: -0.009 local terms energy: -444.397587 where: bonds (distance) C4'-P energy: -87.455 bonds (distance) P-C4' energy: -89.715 flat angles C4'-P-C4' energy: -112.791 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -88.796 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: 373 Temperature: 1.200000 Total energy: -1349.056469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.056469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.056469 (E_RNA) where: Base-Base interactions energy: -915.893 where: short stacking energy: -394.891 Base-Backbone interact. energy: -0.651 local terms energy: -432.512393 where: bonds (distance) C4'-P energy: -80.465 bonds (distance) P-C4' energy: -101.849 flat angles C4'-P-C4' energy: -107.216 flat angles P-C4'-P energy: -49.414 tors. eta vs tors. theta energy: -93.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1143.967680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.967680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.967680 (E_RNA) where: Base-Base interactions energy: -715.944 where: short stacking energy: -326.506 Base-Backbone interact. energy: 3.378 local terms energy: -431.401271 where: bonds (distance) C4'-P energy: -89.131 bonds (distance) P-C4' energy: -108.070 flat angles C4'-P-C4' energy: -95.925 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -71.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -589.254660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.254660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.254660 (E_RNA) where: Base-Base interactions energy: -270.834 where: short stacking energy: -160.747 Base-Backbone interact. energy: 3.646 local terms energy: -322.067057 where: bonds (distance) C4'-P energy: -98.006 bonds (distance) P-C4' energy: -89.944 flat angles C4'-P-C4' energy: -99.782 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: 25.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -595.437519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.437519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.437519 (E_RNA) where: Base-Base interactions energy: -316.208 where: short stacking energy: -193.265 Base-Backbone interact. energy: 2.429 local terms energy: -281.659210 where: bonds (distance) C4'-P energy: -80.963 bonds (distance) P-C4' energy: -92.132 flat angles C4'-P-C4' energy: -62.966 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: 3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2009.644696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.644696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.644696 (E_RNA) where: Base-Base interactions energy: -1357.288 where: short stacking energy: -604.257 Base-Backbone interact. energy: -0.827 local terms energy: -651.529253 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -125.037 flat angles C4'-P-C4' energy: -128.395 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -182.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1952.332969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.332969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.332969 (E_RNA) where: Base-Base interactions energy: -1336.209 where: short stacking energy: -573.379 Base-Backbone interact. energy: -2.640 local terms energy: -613.483304 where: bonds (distance) C4'-P energy: -120.560 bonds (distance) P-C4' energy: -103.041 flat angles C4'-P-C4' energy: -129.269 flat angles P-C4'-P energy: -85.526 tors. eta vs tors. theta energy: -175.087 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: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1808.763730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.763730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.763730 (E_RNA) where: Base-Base interactions energy: -1240.281 where: short stacking energy: -550.217 Base-Backbone interact. energy: -4.332 local terms energy: -564.151131 where: bonds (distance) C4'-P energy: -102.308 bonds (distance) P-C4' energy: -101.137 flat angles C4'-P-C4' energy: -124.488 flat angles P-C4'-P energy: -77.826 tors. eta vs tors. theta energy: -158.391 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: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1809.375334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.375334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.375334 (E_RNA) where: Base-Base interactions energy: -1212.836 where: short stacking energy: -540.613 Base-Backbone interact. energy: -0.630 local terms energy: -595.908565 where: bonds (distance) C4'-P energy: -104.806 bonds (distance) P-C4' energy: -111.495 flat angles C4'-P-C4' energy: -133.848 flat angles P-C4'-P energy: -79.843 tors. eta vs tors. theta energy: -165.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1597.844919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.844919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.844919 (E_RNA) where: Base-Base interactions energy: -1106.101 where: short stacking energy: -452.148 Base-Backbone interact. energy: -1.898 local terms energy: -489.845956 where: bonds (distance) C4'-P energy: -100.878 bonds (distance) P-C4' energy: -101.717 flat angles C4'-P-C4' energy: -121.072 flat angles P-C4'-P energy: -56.320 tors. eta vs tors. theta energy: -109.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1372.626158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.626158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.626158 (E_RNA) where: Base-Base interactions energy: -874.391 where: short stacking energy: -370.570 Base-Backbone interact. energy: -3.324 local terms energy: -494.910611 where: bonds (distance) C4'-P energy: -98.493 bonds (distance) P-C4' energy: -108.935 flat angles C4'-P-C4' energy: -111.195 flat angles P-C4'-P energy: -73.944 tors. eta vs tors. theta energy: -102.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1371.786310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.786310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.786310 (E_RNA) where: Base-Base interactions energy: -906.596 where: short stacking energy: -398.426 Base-Backbone interact. energy: -0.997 local terms energy: -464.194173 where: bonds (distance) C4'-P energy: -94.888 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -100.689 flat angles P-C4'-P energy: -58.985 tors. eta vs tors. theta energy: -100.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1172.603959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.603959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.603959 (E_RNA) where: Base-Base interactions energy: -760.742 where: short stacking energy: -339.343 Base-Backbone interact. energy: -2.612 local terms energy: -409.250081 where: bonds (distance) C4'-P energy: -91.240 bonds (distance) P-C4' energy: -91.763 flat angles C4'-P-C4' energy: -101.504 flat angles P-C4'-P energy: -50.738 tors. eta vs tors. theta energy: -74.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -694.586192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.586192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.586192 (E_RNA) where: Base-Base interactions energy: -355.103 where: short stacking energy: -215.113 Base-Backbone interact. energy: -1.000 local terms energy: -338.482229 where: bonds (distance) C4'-P energy: -88.759 bonds (distance) P-C4' energy: -90.208 flat angles C4'-P-C4' energy: -92.104 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -13.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -546.962576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.962576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.962576 (E_RNA) where: Base-Base interactions energy: -245.687 where: short stacking energy: -142.416 Base-Backbone interact. energy: 6.539 local terms energy: -307.814291 where: bonds (distance) C4'-P energy: -88.391 bonds (distance) P-C4' energy: -80.750 flat angles C4'-P-C4' energy: -85.684 flat angles P-C4'-P energy: -50.870 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2039.072456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.072456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.072456 (E_RNA) where: Base-Base interactions energy: -1387.094 where: short stacking energy: -616.875 Base-Backbone interact. energy: -2.350 local terms energy: -649.628550 where: bonds (distance) C4'-P energy: -121.279 bonds (distance) P-C4' energy: -111.678 flat angles C4'-P-C4' energy: -131.152 flat angles P-C4'-P energy: -93.310 tors. eta vs tors. theta energy: -192.210 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: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1951.760777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.760777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.760777 (E_RNA) where: Base-Base interactions energy: -1326.539 where: short stacking energy: -585.247 Base-Backbone interact. energy: -1.449 local terms energy: -623.773371 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -119.753 flat angles C4'-P-C4' energy: -121.657 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -181.752 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: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1816.116963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.116963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.116963 (E_RNA) where: Base-Base interactions energy: -1237.987 where: short stacking energy: -548.484 Base-Backbone interact. energy: -1.555 local terms energy: -576.575398 where: bonds (distance) C4'-P energy: -100.321 bonds (distance) P-C4' energy: -115.886 flat angles C4'-P-C4' energy: -122.234 flat angles P-C4'-P energy: -81.241 tors. eta vs tors. theta energy: -156.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1798.192387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.192387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.192387 (E_RNA) where: Base-Base interactions energy: -1225.873 where: short stacking energy: -533.187 Base-Backbone interact. energy: -2.980 local terms energy: -569.339494 where: bonds (distance) C4'-P energy: -106.159 bonds (distance) P-C4' energy: -104.879 flat angles C4'-P-C4' energy: -107.815 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -171.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1643.530263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.530263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.530263 (E_RNA) where: Base-Base interactions energy: -1118.854 where: short stacking energy: -458.460 Base-Backbone interact. energy: 3.988 local terms energy: -528.663907 where: bonds (distance) C4'-P energy: -99.619 bonds (distance) P-C4' energy: -101.901 flat angles C4'-P-C4' energy: -111.789 flat angles P-C4'-P energy: -81.280 tors. eta vs tors. theta energy: -134.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1393.091894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.091894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.091894 (E_RNA) where: Base-Base interactions energy: -905.654 where: short stacking energy: -398.026 Base-Backbone interact. energy: -0.890 local terms energy: -486.547565 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -91.133 flat angles C4'-P-C4' energy: -122.085 flat angles P-C4'-P energy: -67.840 tors. eta vs tors. theta energy: -101.323 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: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1376.805560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.805560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.805560 (E_RNA) where: Base-Base interactions energy: -917.643 where: short stacking energy: -410.138 Base-Backbone interact. energy: -1.682 local terms energy: -457.480659 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -106.262 flat angles C4'-P-C4' energy: -100.720 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -106.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1225.878457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.878457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.878457 (E_RNA) where: Base-Base interactions energy: -802.289 where: short stacking energy: -352.035 Base-Backbone interact. energy: 0.379 local terms energy: -423.968841 where: bonds (distance) C4'-P energy: -92.628 bonds (distance) P-C4' energy: -89.816 flat angles C4'-P-C4' energy: -94.766 flat angles P-C4'-P energy: -70.398 tors. eta vs tors. theta energy: -76.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -749.706657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.706657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.706657 (E_RNA) where: Base-Base interactions energy: -376.096 where: short stacking energy: -198.402 Base-Backbone interact. energy: -1.035 local terms energy: -372.575682 where: bonds (distance) C4'-P energy: -94.758 bonds (distance) P-C4' energy: -102.466 flat angles C4'-P-C4' energy: -90.599 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -26.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -555.117650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.117650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.117650 (E_RNA) where: Base-Base interactions energy: -265.421 where: short stacking energy: -179.838 Base-Backbone interact. energy: -1.869 local terms energy: -287.828273 where: bonds (distance) C4'-P energy: -77.624 bonds (distance) P-C4' energy: -85.657 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -63.115 tors. eta vs tors. theta energy: 14.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2035.104188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.104188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.104188 (E_RNA) where: Base-Base interactions energy: -1385.910 where: short stacking energy: -630.481 Base-Backbone interact. energy: -1.174 local terms energy: -648.019727 where: bonds (distance) C4'-P energy: -109.626 bonds (distance) P-C4' energy: -112.691 flat angles C4'-P-C4' energy: -143.022 flat angles P-C4'-P energy: -92.834 tors. eta vs tors. theta energy: -189.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1937.271625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.271625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.271625 (E_RNA) where: Base-Base interactions energy: -1315.121 where: short stacking energy: -583.376 Base-Backbone interact. energy: -0.946 local terms energy: -621.204323 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -117.332 flat angles C4'-P-C4' energy: -136.508 flat angles P-C4'-P energy: -78.882 tors. eta vs tors. theta energy: -179.475 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: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1814.199552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.199552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.199552 (E_RNA) where: Base-Base interactions energy: -1225.202 where: short stacking energy: -544.712 Base-Backbone interact. energy: -0.547 local terms energy: -588.450537 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -99.926 flat angles C4'-P-C4' energy: -124.805 flat angles P-C4'-P energy: -98.256 tors. eta vs tors. theta energy: -167.429 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: 376 Temperature: 1.050000 Total energy: -1786.668666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.668666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.668666 (E_RNA) where: Base-Base interactions energy: -1196.274 where: short stacking energy: -540.207 Base-Backbone interact. energy: -2.583 local terms energy: -587.811425 where: bonds (distance) C4'-P energy: -110.503 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -126.975 flat angles P-C4'-P energy: -85.711 tors. eta vs tors. theta energy: -165.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1636.430571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.430571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.430571 (E_RNA) where: Base-Base interactions energy: -1128.423 where: short stacking energy: -465.650 Base-Backbone interact. energy: -1.319 local terms energy: -506.688273 where: bonds (distance) C4'-P energy: -103.918 bonds (distance) P-C4' energy: -93.521 flat angles C4'-P-C4' energy: -116.353 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: -117.887 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: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1332.648747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.648747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.648747 (E_RNA) where: Base-Base interactions energy: -873.877 where: short stacking energy: -387.800 Base-Backbone interact. energy: 3.935 local terms energy: -462.706453 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -106.535 flat angles C4'-P-C4' energy: -96.536 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: -97.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1384.761760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.761760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.761760 (E_RNA) where: Base-Base interactions energy: -916.535 where: short stacking energy: -384.848 Base-Backbone interact. energy: -2.026 local terms energy: -466.201340 where: bonds (distance) C4'-P energy: -92.954 bonds (distance) P-C4' energy: -112.447 flat angles C4'-P-C4' energy: -100.695 flat angles P-C4'-P energy: -74.489 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: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1286.594304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.594304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.594304 (E_RNA) where: Base-Base interactions energy: -820.840 where: short stacking energy: -382.772 Base-Backbone interact. energy: 2.279 local terms energy: -468.033619 where: bonds (distance) C4'-P energy: -85.189 bonds (distance) P-C4' energy: -117.115 flat angles C4'-P-C4' energy: -92.007 flat angles P-C4'-P energy: -76.491 tors. eta vs tors. theta energy: -97.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -812.418103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.418103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.418103 (E_RNA) where: Base-Base interactions energy: -454.463 where: short stacking energy: -206.048 Base-Backbone interact. energy: 0.552 local terms energy: -358.507596 where: bonds (distance) C4'-P energy: -85.127 bonds (distance) P-C4' energy: -110.366 flat angles C4'-P-C4' energy: -100.358 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -16.168 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: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -549.383108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.383108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.383108 (E_RNA) where: Base-Base interactions energy: -235.133 where: short stacking energy: -164.431 Base-Backbone interact. energy: 6.054 local terms energy: -320.303458 where: bonds (distance) C4'-P energy: -115.130 bonds (distance) P-C4' energy: -97.647 flat angles C4'-P-C4' energy: -91.046 flat angles P-C4'-P energy: -25.533 tors. eta vs tors. theta energy: 9.052 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: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2038.183434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.183434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.183434 (E_RNA) where: Base-Base interactions energy: -1398.240 where: short stacking energy: -631.766 Base-Backbone interact. energy: -3.632 local terms energy: -636.311446 where: bonds (distance) C4'-P energy: -122.611 bonds (distance) P-C4' energy: -114.593 flat angles C4'-P-C4' energy: -130.098 flat angles P-C4'-P energy: -87.432 tors. eta vs tors. theta energy: -181.577 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: 377 Temperature: 0.950000 Total energy: -1931.999494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.999494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.999494 (E_RNA) where: Base-Base interactions energy: -1334.316 where: short stacking energy: -598.500 Base-Backbone interact. energy: -1.238 local terms energy: -596.445676 where: bonds (distance) C4'-P energy: -88.976 bonds (distance) P-C4' energy: -109.589 flat angles C4'-P-C4' energy: -142.374 flat angles P-C4'-P energy: -80.651 tors. eta vs tors. theta energy: -174.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1814.966873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.966873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.966873 (E_RNA) where: Base-Base interactions energy: -1251.421 where: short stacking energy: -540.395 Base-Backbone interact. energy: -3.717 local terms energy: -559.828600 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -117.014 flat angles P-C4'-P energy: -79.577 tors. eta vs tors. theta energy: -151.427 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: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1693.983046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.983046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.983046 (E_RNA) where: Base-Base interactions energy: -1140.843 where: short stacking energy: -494.851 Base-Backbone interact. energy: -3.032 local terms energy: -550.108444 where: bonds (distance) C4'-P energy: -95.889 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -111.020 flat angles P-C4'-P energy: -86.165 tors. eta vs tors. theta energy: -145.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1677.049171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.049171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.049171 (E_RNA) where: Base-Base interactions energy: -1123.426 where: short stacking energy: -471.241 Base-Backbone interact. energy: -0.935 local terms energy: -552.688363 where: bonds (distance) C4'-P energy: -92.231 bonds (distance) P-C4' energy: -105.776 flat angles C4'-P-C4' energy: -127.900 flat angles P-C4'-P energy: -85.757 tors. eta vs tors. theta energy: -141.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1419.719675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.719675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.719675 (E_RNA) where: Base-Base interactions energy: -926.832 where: short stacking energy: -403.895 Base-Backbone interact. energy: -1.444 local terms energy: -491.443623 where: bonds (distance) C4'-P energy: -111.909 bonds (distance) P-C4' energy: -102.680 flat angles C4'-P-C4' energy: -110.624 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: -96.360 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: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1279.798943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.798943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.798943 (E_RNA) where: Base-Base interactions energy: -836.327 where: short stacking energy: -352.725 Base-Backbone interact. energy: -2.903 local terms energy: -440.569003 where: bonds (distance) C4'-P energy: -87.513 bonds (distance) P-C4' energy: -93.021 flat angles C4'-P-C4' energy: -104.265 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -80.660 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: 377 Temperature: 1.250000 Total energy: -1221.654939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.654939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.654939 (E_RNA) where: Base-Base interactions energy: -800.381 where: short stacking energy: -356.562 Base-Backbone interact. energy: 2.084 local terms energy: -423.358121 where: bonds (distance) C4'-P energy: -106.763 bonds (distance) P-C4' energy: -92.752 flat angles C4'-P-C4' energy: -102.538 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -58.388 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: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -788.852988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.852988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.852988 (E_RNA) where: Base-Base interactions energy: -450.279 where: short stacking energy: -205.253 Base-Backbone interact. energy: 4.013 local terms energy: -342.587115 where: bonds (distance) C4'-P energy: -94.054 bonds (distance) P-C4' energy: -103.409 flat angles C4'-P-C4' energy: -87.613 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -7.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -564.324521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.324521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.324521 (E_RNA) where: Base-Base interactions energy: -260.380 where: short stacking energy: -183.603 Base-Backbone interact. energy: -2.389 local terms energy: -301.556035 where: bonds (distance) C4'-P energy: -76.777 bonds (distance) P-C4' energy: -98.262 flat angles C4'-P-C4' energy: -81.662 flat angles P-C4'-P energy: -48.920 tors. eta vs tors. theta energy: 4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2034.749224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.749224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.749224 (E_RNA) where: Base-Base interactions energy: -1388.049 where: short stacking energy: -627.995 Base-Backbone interact. energy: -5.231 local terms energy: -641.469589 where: bonds (distance) C4'-P energy: -113.121 bonds (distance) P-C4' energy: -123.617 flat angles C4'-P-C4' energy: -137.166 flat angles P-C4'-P energy: -84.567 tors. eta vs tors. theta energy: -182.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1950.338386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.338386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.338386 (E_RNA) where: Base-Base interactions energy: -1335.044 where: short stacking energy: -606.164 Base-Backbone interact. energy: 2.530 local terms energy: -617.823842 where: bonds (distance) C4'-P energy: -117.182 bonds (distance) P-C4' energy: -122.949 flat angles C4'-P-C4' energy: -116.218 flat angles P-C4'-P energy: -86.218 tors. eta vs tors. theta energy: -175.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1839.682803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.682803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.682803 (E_RNA) where: Base-Base interactions energy: -1230.668 where: short stacking energy: -554.346 Base-Backbone interact. energy: -3.771 local terms energy: -605.244153 where: bonds (distance) C4'-P energy: -127.483 bonds (distance) P-C4' energy: -112.307 flat angles C4'-P-C4' energy: -121.040 flat angles P-C4'-P energy: -78.751 tors. eta vs tors. theta energy: -165.663 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: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1680.105432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.105432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.105432 (E_RNA) where: Base-Base interactions energy: -1147.860 where: short stacking energy: -510.070 Base-Backbone interact. energy: -2.375 local terms energy: -529.870513 where: bonds (distance) C4'-P energy: -99.525 bonds (distance) P-C4' energy: -107.729 flat angles C4'-P-C4' energy: -124.793 flat angles P-C4'-P energy: -60.207 tors. eta vs tors. theta energy: -137.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1658.223746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.223746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.223746 (E_RNA) where: Base-Base interactions energy: -1113.037 where: short stacking energy: -504.303 Base-Backbone interact. energy: -2.075 local terms energy: -543.111636 where: bonds (distance) C4'-P energy: -98.554 bonds (distance) P-C4' energy: -110.716 flat angles C4'-P-C4' energy: -117.815 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -138.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1414.255414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.255414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.255414 (E_RNA) where: Base-Base interactions energy: -938.293 where: short stacking energy: -399.620 Base-Backbone interact. energy: -1.702 local terms energy: -474.260713 where: bonds (distance) C4'-P energy: -98.308 bonds (distance) P-C4' energy: -105.853 flat angles C4'-P-C4' energy: -102.924 flat angles P-C4'-P energy: -65.310 tors. eta vs tors. theta energy: -101.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1266.893474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.893474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.893474 (E_RNA) where: Base-Base interactions energy: -815.056 where: short stacking energy: -362.198 Base-Backbone interact. energy: 5.060 local terms energy: -456.897602 where: bonds (distance) C4'-P energy: -102.748 bonds (distance) P-C4' energy: -97.322 flat angles C4'-P-C4' energy: -102.462 flat angles P-C4'-P energy: -68.966 tors. eta vs tors. theta energy: -85.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1253.888677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.888677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.888677 (E_RNA) where: Base-Base interactions energy: -806.171 where: short stacking energy: -316.583 Base-Backbone interact. energy: 1.343 local terms energy: -449.060584 where: bonds (distance) C4'-P energy: -98.149 bonds (distance) P-C4' energy: -111.478 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -66.600 tors. eta vs tors. theta energy: -66.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -771.761665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.761665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.761665 (E_RNA) where: Base-Base interactions energy: -433.187 where: short stacking energy: -246.548 Base-Backbone interact. energy: -2.377 local terms energy: -336.198064 where: bonds (distance) C4'-P energy: -81.459 bonds (distance) P-C4' energy: -95.204 flat angles C4'-P-C4' energy: -87.829 flat angles P-C4'-P energy: -40.999 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: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -502.063157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.063157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.063157 (E_RNA) where: Base-Base interactions energy: -204.000 where: short stacking energy: -144.959 Base-Backbone interact. energy: 0.246 local terms energy: -298.308581 where: bonds (distance) C4'-P energy: -74.819 bonds (distance) P-C4' energy: -87.254 flat angles C4'-P-C4' energy: -96.240 flat angles P-C4'-P energy: -58.878 tors. eta vs tors. theta energy: 18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2039.045257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.045257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.045257 (E_RNA) where: Base-Base interactions energy: -1403.375 where: short stacking energy: -617.583 Base-Backbone interact. energy: -2.176 local terms energy: -633.493499 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -115.470 flat angles C4'-P-C4' energy: -126.527 flat angles P-C4'-P energy: -91.944 tors. eta vs tors. theta energy: -189.780 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: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1955.911382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.911382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.911382 (E_RNA) where: Base-Base interactions energy: -1328.053 where: short stacking energy: -595.202 Base-Backbone interact. energy: -0.859 local terms energy: -626.999584 where: bonds (distance) C4'-P energy: -119.609 bonds (distance) P-C4' energy: -117.089 flat angles C4'-P-C4' energy: -139.068 flat angles P-C4'-P energy: -74.646 tors. eta vs tors. theta energy: -176.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1881.245701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.245701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.245701 (E_RNA) where: Base-Base interactions energy: -1258.855 where: short stacking energy: -567.068 Base-Backbone interact. energy: -1.464 local terms energy: -620.926017 where: bonds (distance) C4'-P energy: -123.720 bonds (distance) P-C4' energy: -112.872 flat angles C4'-P-C4' energy: -136.541 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -159.952 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: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1719.772724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.772724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.772724 (E_RNA) where: Base-Base interactions energy: -1186.584 where: short stacking energy: -517.424 Base-Backbone interact. energy: 3.227 local terms energy: -536.415873 where: bonds (distance) C4'-P energy: -95.083 bonds (distance) P-C4' energy: -92.042 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -83.206 tors. eta vs tors. theta energy: -145.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1675.837881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.837881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.837881 (E_RNA) where: Base-Base interactions energy: -1154.227 where: short stacking energy: -507.815 Base-Backbone interact. energy: -0.257 local terms energy: -521.353951 where: bonds (distance) C4'-P energy: -98.577 bonds (distance) P-C4' energy: -95.035 flat angles C4'-P-C4' energy: -117.194 flat angles P-C4'-P energy: -72.469 tors. eta vs tors. theta energy: -138.080 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: 379 Temperature: 1.150000 Total energy: -1420.913934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.913934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.913934 (E_RNA) where: Base-Base interactions energy: -959.256 where: short stacking energy: -410.251 Base-Backbone interact. energy: -0.173 local terms energy: -461.484962 where: bonds (distance) C4'-P energy: -91.450 bonds (distance) P-C4' energy: -101.427 flat angles C4'-P-C4' energy: -105.043 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -101.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1282.480726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.480726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.480726 (E_RNA) where: Base-Base interactions energy: -810.243 where: short stacking energy: -364.254 Base-Backbone interact. energy: 3.245 local terms energy: -475.481839 where: bonds (distance) C4'-P energy: -113.221 bonds (distance) P-C4' energy: -106.977 flat angles C4'-P-C4' energy: -116.959 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -75.679 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: 8, replica: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1264.660444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.660444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.660444 (E_RNA) where: Base-Base interactions energy: -823.104 where: short stacking energy: -338.742 Base-Backbone interact. energy: 1.654 local terms energy: -443.210147 where: bonds (distance) C4'-P energy: -90.591 bonds (distance) P-C4' energy: -92.377 flat angles C4'-P-C4' energy: -112.416 flat angles P-C4'-P energy: -68.979 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: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -745.607571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.607571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.607571 (E_RNA) where: Base-Base interactions energy: -403.494 where: short stacking energy: -206.248 Base-Backbone interact. energy: -3.113 local terms energy: -338.999954 where: bonds (distance) C4'-P energy: -97.340 bonds (distance) P-C4' energy: -94.327 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -62.798 tors. eta vs tors. theta energy: -12.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -525.126595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.126595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.126595 (E_RNA) where: Base-Base interactions energy: -192.368 where: short stacking energy: -144.819 Base-Backbone interact. energy: 1.488 local terms energy: -334.246229 where: bonds (distance) C4'-P energy: -102.681 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -89.359 flat angles P-C4'-P energy: -63.826 tors. eta vs tors. theta energy: 22.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2041.103990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.103990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.103990 (E_RNA) where: Base-Base interactions energy: -1377.642 where: short stacking energy: -596.355 Base-Backbone interact. energy: -3.351 local terms energy: -660.111304 where: bonds (distance) C4'-P energy: -125.642 bonds (distance) P-C4' energy: -111.304 flat angles C4'-P-C4' energy: -144.410 flat angles P-C4'-P energy: -82.833 tors. eta vs tors. theta energy: -195.922 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: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1947.291390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.291390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.291390 (E_RNA) where: Base-Base interactions energy: -1337.218 where: short stacking energy: -579.467 Base-Backbone interact. energy: 3.052 local terms energy: -613.125911 where: bonds (distance) C4'-P energy: -113.671 bonds (distance) P-C4' energy: -111.708 flat angles C4'-P-C4' energy: -131.383 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -171.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1818.463781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.463781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.463781 (E_RNA) where: Base-Base interactions energy: -1238.147 where: short stacking energy: -547.502 Base-Backbone interact. energy: -1.220 local terms energy: -579.096590 where: bonds (distance) C4'-P energy: -104.075 bonds (distance) P-C4' energy: -105.147 flat angles C4'-P-C4' energy: -122.260 flat angles P-C4'-P energy: -89.413 tors. eta vs tors. theta energy: -158.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1714.328797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.328797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.328797 (E_RNA) where: Base-Base interactions energy: -1188.762 where: short stacking energy: -501.550 Base-Backbone interact. energy: -0.368 local terms energy: -525.198567 where: bonds (distance) C4'-P energy: -100.794 bonds (distance) P-C4' energy: -109.017 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -69.980 tors. eta vs tors. theta energy: -141.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1665.962724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.962724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.962724 (E_RNA) where: Base-Base interactions energy: -1128.699 where: short stacking energy: -488.957 Base-Backbone interact. energy: -3.328 local terms energy: -533.936306 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -98.689 flat angles C4'-P-C4' energy: -111.332 flat angles P-C4'-P energy: -82.951 tors. eta vs tors. theta energy: -137.994 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: 380 Temperature: 1.150000 Total energy: -1489.688768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.688768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.688768 (E_RNA) where: Base-Base interactions energy: -978.832 where: short stacking energy: -416.822 Base-Backbone interact. energy: -2.964 local terms energy: -507.893199 where: bonds (distance) C4'-P energy: -95.509 bonds (distance) P-C4' energy: -121.036 flat angles C4'-P-C4' energy: -115.651 flat angles P-C4'-P energy: -74.876 tors. eta vs tors. theta energy: -100.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1355.577770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.577770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.577770 (E_RNA) where: Base-Base interactions energy: -879.861 where: short stacking energy: -384.731 Base-Backbone interact. energy: -1.819 local terms energy: -473.897630 where: bonds (distance) C4'-P energy: -102.519 bonds (distance) P-C4' energy: -98.203 flat angles C4'-P-C4' energy: -103.723 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -94.883 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: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1125.853569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.853569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.853569 (E_RNA) where: Base-Base interactions energy: -729.456 where: short stacking energy: -348.084 Base-Backbone interact. energy: -2.206 local terms energy: -394.191295 where: bonds (distance) C4'-P energy: -92.865 bonds (distance) P-C4' energy: -108.329 flat angles C4'-P-C4' energy: -88.460 flat angles P-C4'-P energy: -41.333 tors. eta vs tors. theta energy: -63.205 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: 9, replica: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -675.910115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.910115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.910115 (E_RNA) where: Base-Base interactions energy: -323.655 where: short stacking energy: -177.372 Base-Backbone interact. energy: 0.633 local terms energy: -352.888452 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -103.894 flat angles C4'-P-C4' energy: -97.327 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -493.443189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.443189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.443189 (E_RNA) where: Base-Base interactions energy: -216.361 where: short stacking energy: -152.300 Base-Backbone interact. energy: 3.341 local terms energy: -280.423142 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -103.174 flat angles C4'-P-C4' energy: -70.800 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: 27.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2033.737957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.737957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.737957 (E_RNA) where: Base-Base interactions energy: -1385.771 where: short stacking energy: -626.695 Base-Backbone interact. energy: -2.101 local terms energy: -645.866509 where: bonds (distance) C4'-P energy: -117.952 bonds (distance) P-C4' energy: -118.526 flat angles C4'-P-C4' energy: -133.090 flat angles P-C4'-P energy: -90.307 tors. eta vs tors. theta energy: -185.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1944.019932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.019932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.019932 (E_RNA) where: Base-Base interactions energy: -1327.752 where: short stacking energy: -571.785 Base-Backbone interact. energy: 4.615 local terms energy: -620.882832 where: bonds (distance) C4'-P energy: -115.429 bonds (distance) P-C4' energy: -113.308 flat angles C4'-P-C4' energy: -127.605 flat angles P-C4'-P energy: -94.534 tors. eta vs tors. theta energy: -170.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1818.176743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.176743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.176743 (E_RNA) where: Base-Base interactions energy: -1223.355 where: short stacking energy: -540.645 Base-Backbone interact. energy: -0.325 local terms energy: -594.496965 where: bonds (distance) C4'-P energy: -111.286 bonds (distance) P-C4' energy: -108.701 flat angles C4'-P-C4' energy: -128.919 flat angles P-C4'-P energy: -87.196 tors. eta vs tors. theta energy: -158.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1694.773819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.773819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.773819 (E_RNA) where: Base-Base interactions energy: -1181.640 where: short stacking energy: -485.140 Base-Backbone interact. energy: -4.054 local terms energy: -509.080108 where: bonds (distance) C4'-P energy: -100.394 bonds (distance) P-C4' energy: -99.262 flat angles C4'-P-C4' energy: -109.580 flat angles P-C4'-P energy: -63.852 tors. eta vs tors. theta energy: -135.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1709.944741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.944741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.944741 (E_RNA) where: Base-Base interactions energy: -1149.509 where: short stacking energy: -523.466 Base-Backbone interact. energy: -1.054 local terms energy: -559.382680 where: bonds (distance) C4'-P energy: -97.164 bonds (distance) P-C4' energy: -111.912 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -81.668 tors. eta vs tors. theta energy: -153.536 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: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1400.532599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.532599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.532599 (E_RNA) where: Base-Base interactions energy: -918.036 where: short stacking energy: -392.385 Base-Backbone interact. energy: -0.661 local terms energy: -481.835586 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -97.967 flat angles C4'-P-C4' energy: -120.001 flat angles P-C4'-P energy: -72.611 tors. eta vs tors. theta energy: -96.664 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: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1377.281122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.281122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.281122 (E_RNA) where: Base-Base interactions energy: -942.766 where: short stacking energy: -410.492 Base-Backbone interact. energy: -0.661 local terms energy: -433.854024 where: bonds (distance) C4'-P energy: -86.791 bonds (distance) P-C4' energy: -89.010 flat angles C4'-P-C4' energy: -99.892 flat angles P-C4'-P energy: -69.893 tors. eta vs tors. theta energy: -88.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1078.517599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.517599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.517599 (E_RNA) where: Base-Base interactions energy: -671.201 where: short stacking energy: -333.751 Base-Backbone interact. energy: -3.158 local terms energy: -404.158885 where: bonds (distance) C4'-P energy: -77.232 bonds (distance) P-C4' energy: -86.391 flat angles C4'-P-C4' energy: -112.004 flat angles P-C4'-P energy: -48.843 tors. eta vs tors. theta energy: -79.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -688.426103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.426103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.426103 (E_RNA) where: Base-Base interactions energy: -362.970 where: short stacking energy: -228.396 Base-Backbone interact. energy: 0.173 local terms energy: -325.628628 where: bonds (distance) C4'-P energy: -82.070 bonds (distance) P-C4' energy: -97.275 flat angles C4'-P-C4' energy: -91.413 flat angles P-C4'-P energy: -39.531 tors. eta vs tors. theta energy: -15.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -494.030648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.030648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.030648 (E_RNA) where: Base-Base interactions energy: -197.826 where: short stacking energy: -125.041 Base-Backbone interact. energy: -0.304 local terms energy: -295.900719 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -106.274 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: 15.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2040.263857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.263857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.263857 (E_RNA) where: Base-Base interactions energy: -1418.327 where: short stacking energy: -643.500 Base-Backbone interact. energy: -3.081 local terms energy: -618.856076 where: bonds (distance) C4'-P energy: -112.653 bonds (distance) P-C4' energy: -114.442 flat angles C4'-P-C4' energy: -119.621 flat angles P-C4'-P energy: -90.181 tors. eta vs tors. theta energy: -181.959 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: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1961.307109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.307109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.307109 (E_RNA) where: Base-Base interactions energy: -1352.168 where: short stacking energy: -588.855 Base-Backbone interact. energy: -0.244 local terms energy: -608.894770 where: bonds (distance) C4'-P energy: -103.289 bonds (distance) P-C4' energy: -115.482 flat angles C4'-P-C4' energy: -127.740 flat angles P-C4'-P energy: -81.563 tors. eta vs tors. theta energy: -180.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1762.745891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.745891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.745891 (E_RNA) where: Base-Base interactions energy: -1185.798 where: short stacking energy: -545.153 Base-Backbone interact. energy: -2.847 local terms energy: -574.100569 where: bonds (distance) C4'-P energy: -100.983 bonds (distance) P-C4' energy: -101.043 flat angles C4'-P-C4' energy: -123.122 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -154.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1702.458351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.458351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.458351 (E_RNA) where: Base-Base interactions energy: -1146.696 where: short stacking energy: -523.367 Base-Backbone interact. energy: 2.067 local terms energy: -557.828751 where: bonds (distance) C4'-P energy: -103.200 bonds (distance) P-C4' energy: -110.685 flat angles C4'-P-C4' energy: -115.549 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -160.629 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: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1686.156535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.156535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.156535 (E_RNA) where: Base-Base interactions energy: -1158.945 where: short stacking energy: -500.343 Base-Backbone interact. energy: -3.808 local terms energy: -523.403869 where: bonds (distance) C4'-P energy: -100.535 bonds (distance) P-C4' energy: -103.374 flat angles C4'-P-C4' energy: -118.409 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -129.337 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: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1374.796770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.796770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.796770 (E_RNA) where: Base-Base interactions energy: -923.868 where: short stacking energy: -394.495 Base-Backbone interact. energy: -0.441 local terms energy: -450.487158 where: bonds (distance) C4'-P energy: -87.719 bonds (distance) P-C4' energy: -99.600 flat angles C4'-P-C4' energy: -99.268 flat angles P-C4'-P energy: -76.008 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: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1318.304132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.304132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.304132 (E_RNA) where: Base-Base interactions energy: -843.901 where: short stacking energy: -369.222 Base-Backbone interact. energy: 1.800 local terms energy: -476.202679 where: bonds (distance) C4'-P energy: -82.884 bonds (distance) P-C4' energy: -110.648 flat angles C4'-P-C4' energy: -113.623 flat angles P-C4'-P energy: -78.823 tors. eta vs tors. theta energy: -90.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1039.468149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.468149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.468149 (E_RNA) where: Base-Base interactions energy: -659.614 where: short stacking energy: -314.850 Base-Backbone interact. energy: -3.405 local terms energy: -376.448696 where: bonds (distance) C4'-P energy: -89.549 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -57.471 tors. eta vs tors. theta energy: -57.833 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: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -676.716506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.716506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.716506 (E_RNA) where: Base-Base interactions energy: -359.599 where: short stacking energy: -202.183 Base-Backbone interact. energy: 1.769 local terms energy: -318.887032 where: bonds (distance) C4'-P energy: -76.242 bonds (distance) P-C4' energy: -92.757 flat angles C4'-P-C4' energy: -94.715 flat angles P-C4'-P energy: -45.022 tors. eta vs tors. theta energy: -10.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -472.589514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.589514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.589514 (E_RNA) where: Base-Base interactions energy: -149.030 where: short stacking energy: -106.604 Base-Backbone interact. energy: -0.384 local terms energy: -323.175756 where: bonds (distance) C4'-P energy: -96.010 bonds (distance) P-C4' energy: -105.744 flat angles C4'-P-C4' energy: -98.360 flat angles P-C4'-P energy: -55.638 tors. eta vs tors. theta energy: 32.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2056.710234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.710234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.710234 (E_RNA) where: Base-Base interactions energy: -1388.403 where: short stacking energy: -613.896 Base-Backbone interact. energy: -3.098 local terms energy: -665.209264 where: bonds (distance) C4'-P energy: -117.085 bonds (distance) P-C4' energy: -117.583 flat angles C4'-P-C4' energy: -140.041 flat angles P-C4'-P energy: -100.291 tors. eta vs tors. theta energy: -190.209 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: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1971.696163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.696163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.696163 (E_RNA) where: Base-Base interactions energy: -1347.291 where: short stacking energy: -593.933 Base-Backbone interact. energy: -2.218 local terms energy: -622.187967 where: bonds (distance) C4'-P energy: -107.362 bonds (distance) P-C4' energy: -118.639 flat angles C4'-P-C4' energy: -135.780 flat angles P-C4'-P energy: -93.770 tors. eta vs tors. theta energy: -166.638 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: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1763.797356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.797356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.797356 (E_RNA) where: Base-Base interactions energy: -1201.977 where: short stacking energy: -536.643 Base-Backbone interact. energy: -1.033 local terms energy: -560.786837 where: bonds (distance) C4'-P energy: -100.186 bonds (distance) P-C4' energy: -108.642 flat angles C4'-P-C4' energy: -120.135 flat angles P-C4'-P energy: -78.597 tors. eta vs tors. theta energy: -153.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1759.063902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.063902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.063902 (E_RNA) where: Base-Base interactions energy: -1199.944 where: short stacking energy: -514.732 Base-Backbone interact. energy: 0.773 local terms energy: -559.892539 where: bonds (distance) C4'-P energy: -112.484 bonds (distance) P-C4' energy: -100.643 flat angles C4'-P-C4' energy: -115.278 flat angles P-C4'-P energy: -79.283 tors. eta vs tors. theta energy: -152.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1634.384740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.384740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.384740 (E_RNA) where: Base-Base interactions energy: -1110.358 where: short stacking energy: -452.123 Base-Backbone interact. energy: -3.965 local terms energy: -520.060965 where: bonds (distance) C4'-P energy: -98.784 bonds (distance) P-C4' energy: -111.268 flat angles C4'-P-C4' energy: -117.528 flat angles P-C4'-P energy: -69.874 tors. eta vs tors. theta energy: -122.606 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: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1402.175581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.175581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.175581 (E_RNA) where: Base-Base interactions energy: -888.547 where: short stacking energy: -410.520 Base-Backbone interact. energy: -1.503 local terms energy: -512.125098 where: bonds (distance) C4'-P energy: -106.431 bonds (distance) P-C4' energy: -103.954 flat angles C4'-P-C4' energy: -120.511 flat angles P-C4'-P energy: -72.419 tors. eta vs tors. theta energy: -108.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1291.279427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.279427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.279427 (E_RNA) where: Base-Base interactions energy: -845.960 where: short stacking energy: -376.033 Base-Backbone interact. energy: -3.312 local terms energy: -442.007859 where: bonds (distance) C4'-P energy: -98.602 bonds (distance) P-C4' energy: -98.498 flat angles C4'-P-C4' energy: -106.691 flat angles P-C4'-P energy: -67.303 tors. eta vs tors. theta energy: -70.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1112.118214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.118214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.118214 (E_RNA) where: Base-Base interactions energy: -688.843 where: short stacking energy: -292.857 Base-Backbone interact. energy: -2.771 local terms energy: -420.504099 where: bonds (distance) C4'-P energy: -90.415 bonds (distance) P-C4' energy: -101.062 flat angles C4'-P-C4' energy: -102.036 flat angles P-C4'-P energy: -58.711 tors. eta vs tors. theta energy: -68.281 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: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -748.175539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.175539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.175539 (E_RNA) where: Base-Base interactions energy: -370.271 where: short stacking energy: -234.635 Base-Backbone interact. energy: 6.403 local terms energy: -384.307894 where: bonds (distance) C4'-P energy: -101.664 bonds (distance) P-C4' energy: -96.512 flat angles C4'-P-C4' energy: -90.650 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -44.180 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: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -496.747998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.747998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.747998 (E_RNA) where: Base-Base interactions energy: -200.730 where: short stacking energy: -167.001 Base-Backbone interact. energy: -1.652 local terms energy: -294.365420 where: bonds (distance) C4'-P energy: -83.969 bonds (distance) P-C4' energy: -96.688 flat angles C4'-P-C4' energy: -79.019 flat angles P-C4'-P energy: -35.689 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: 384 Temperature: 0.900000 Total energy: -2018.143703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.143703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.143703 (E_RNA) where: Base-Base interactions energy: -1370.800 where: short stacking energy: -614.891 Base-Backbone interact. energy: -2.055 local terms energy: -645.289131 where: bonds (distance) C4'-P energy: -111.388 bonds (distance) P-C4' energy: -127.074 flat angles C4'-P-C4' energy: -134.792 flat angles P-C4'-P energy: -85.100 tors. eta vs tors. theta energy: -186.935 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: 384 Temperature: 0.950000 Total energy: -1937.794787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.794787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.794787 (E_RNA) where: Base-Base interactions energy: -1325.195 where: short stacking energy: -594.275 Base-Backbone interact. energy: -1.755 local terms energy: -610.844352 where: bonds (distance) C4'-P energy: -109.512 bonds (distance) P-C4' energy: -111.618 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -87.652 tors. eta vs tors. theta energy: -171.825 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: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1763.139038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.139038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.139038 (E_RNA) where: Base-Base interactions energy: -1196.450 where: short stacking energy: -510.218 Base-Backbone interact. energy: -2.672 local terms energy: -564.016787 where: bonds (distance) C4'-P energy: -103.225 bonds (distance) P-C4' energy: -120.497 flat angles C4'-P-C4' energy: -123.717 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: -142.301 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: 384 Temperature: 1.050000 Total energy: -1735.727430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.727430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.727430 (E_RNA) where: Base-Base interactions energy: -1162.680 where: short stacking energy: -539.227 Base-Backbone interact. energy: -2.010 local terms energy: -571.037018 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -113.751 flat angles C4'-P-C4' energy: -130.001 flat angles P-C4'-P energy: -73.406 tors. eta vs tors. theta energy: -150.585 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: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1622.137939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.137939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.137939 (E_RNA) where: Base-Base interactions energy: -1112.031 where: short stacking energy: -474.028 Base-Backbone interact. energy: 0.946 local terms energy: -511.053243 where: bonds (distance) C4'-P energy: -110.091 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -108.104 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -115.519 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: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1440.080477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.080477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.080477 (E_RNA) where: Base-Base interactions energy: -961.648 where: short stacking energy: -409.392 Base-Backbone interact. energy: -3.040 local terms energy: -475.392071 where: bonds (distance) C4'-P energy: -86.760 bonds (distance) P-C4' energy: -108.624 flat angles C4'-P-C4' energy: -109.029 flat angles P-C4'-P energy: -67.007 tors. eta vs tors. theta energy: -103.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1329.413102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.413102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.413102 (E_RNA) where: Base-Base interactions energy: -881.240 where: short stacking energy: -404.697 Base-Backbone interact. energy: -0.895 local terms energy: -447.278526 where: bonds (distance) C4'-P energy: -86.735 bonds (distance) P-C4' energy: -102.787 flat angles C4'-P-C4' energy: -101.982 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -94.283 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: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1133.846740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.846740 (E_RNA) where: Base-Base interactions energy: -690.164 where: short stacking energy: -318.227 Base-Backbone interact. energy: -1.616 local terms energy: -442.066150 where: bonds (distance) C4'-P energy: -108.807 bonds (distance) P-C4' energy: -110.529 flat angles C4'-P-C4' energy: -92.258 flat angles P-C4'-P energy: -54.272 tors. eta vs tors. theta energy: -76.200 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: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -671.940494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.940494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.940494 (E_RNA) where: Base-Base interactions energy: -343.196 where: short stacking energy: -189.207 Base-Backbone interact. energy: -1.688 local terms energy: -327.056228 where: bonds (distance) C4'-P energy: -94.363 bonds (distance) P-C4' energy: -110.342 flat angles C4'-P-C4' energy: -74.022 flat angles P-C4'-P energy: -47.501 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -487.445250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.445250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.445250 (E_RNA) where: Base-Base interactions energy: -179.289 where: short stacking energy: -125.961 Base-Backbone interact. energy: -2.715 local terms energy: -305.441178 where: bonds (distance) C4'-P energy: -111.698 bonds (distance) P-C4' energy: -105.750 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -42.853 tors. eta vs tors. theta energy: 28.667 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: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2041.710971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.710971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.710971 (E_RNA) where: Base-Base interactions energy: -1392.299 where: short stacking energy: -624.150 Base-Backbone interact. energy: -3.462 local terms energy: -645.950182 where: bonds (distance) C4'-P energy: -114.720 bonds (distance) P-C4' energy: -111.099 flat angles C4'-P-C4' energy: -133.103 flat angles P-C4'-P energy: -96.915 tors. eta vs tors. theta energy: -190.114 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: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1954.846697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.846697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.846697 (E_RNA) where: Base-Base interactions energy: -1327.753 where: short stacking energy: -564.862 Base-Backbone interact. energy: -1.493 local terms energy: -625.600246 where: bonds (distance) C4'-P energy: -120.053 bonds (distance) P-C4' energy: -108.524 flat angles C4'-P-C4' energy: -130.755 flat angles P-C4'-P energy: -83.067 tors. eta vs tors. theta energy: -183.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1788.920647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.920647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.920647 (E_RNA) where: Base-Base interactions energy: -1205.727 where: short stacking energy: -532.109 Base-Backbone interact. energy: -2.936 local terms energy: -580.257360 where: bonds (distance) C4'-P energy: -103.699 bonds (distance) P-C4' energy: -96.574 flat angles C4'-P-C4' energy: -127.610 flat angles P-C4'-P energy: -94.751 tors. eta vs tors. theta energy: -157.623 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: 385 Temperature: 1.050000 Total energy: -1780.173510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.173510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.173510 (E_RNA) where: Base-Base interactions energy: -1182.551 where: short stacking energy: -512.618 Base-Backbone interact. energy: -2.656 local terms energy: -594.966565 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -113.187 flat angles C4'-P-C4' energy: -127.434 flat angles P-C4'-P energy: -83.527 tors. eta vs tors. theta energy: -155.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1650.788192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.788192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.788192 (E_RNA) where: Base-Base interactions energy: -1145.896 where: short stacking energy: -475.926 Base-Backbone interact. energy: -3.841 local terms energy: -501.050816 where: bonds (distance) C4'-P energy: -86.683 bonds (distance) P-C4' energy: -101.394 flat angles C4'-P-C4' energy: -126.966 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -108.786 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: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1419.137381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.137381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.137381 (E_RNA) where: Base-Base interactions energy: -941.263 where: short stacking energy: -399.162 Base-Backbone interact. energy: -1.664 local terms energy: -476.211002 where: bonds (distance) C4'-P energy: -97.133 bonds (distance) P-C4' energy: -114.948 flat angles C4'-P-C4' energy: -92.036 flat angles P-C4'-P energy: -77.678 tors. eta vs tors. theta energy: -94.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1314.065436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.065436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.065436 (E_RNA) where: Base-Base interactions energy: -870.284 where: short stacking energy: -365.812 Base-Backbone interact. energy: -0.330 local terms energy: -443.451549 where: bonds (distance) C4'-P energy: -96.071 bonds (distance) P-C4' energy: -93.197 flat angles C4'-P-C4' energy: -110.323 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: -80.680 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: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1118.106984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.106984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.106984 (E_RNA) where: Base-Base interactions energy: -734.522 where: short stacking energy: -337.136 Base-Backbone interact. energy: -0.485 local terms energy: -383.099463 where: bonds (distance) C4'-P energy: -95.327 bonds (distance) P-C4' energy: -80.765 flat angles C4'-P-C4' energy: -93.323 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -60.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -658.007866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.007866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.007866 (E_RNA) where: Base-Base interactions energy: -312.796 where: short stacking energy: -199.824 Base-Backbone interact. energy: 2.480 local terms energy: -347.692062 where: bonds (distance) C4'-P energy: -96.978 bonds (distance) P-C4' energy: -101.054 flat angles C4'-P-C4' energy: -85.607 flat angles P-C4'-P energy: -51.382 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -461.609398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.609398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.609398 (E_RNA) where: Base-Base interactions energy: -155.121 where: short stacking energy: -129.429 Base-Backbone interact. energy: 1.556 local terms energy: -308.044251 where: bonds (distance) C4'-P energy: -101.987 bonds (distance) P-C4' energy: -102.707 flat angles C4'-P-C4' energy: -96.819 flat angles P-C4'-P energy: -31.531 tors. eta vs tors. theta energy: 25.000 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: 386 Temperature: 0.900000 Total energy: -2064.404316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.404316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.404316 (E_RNA) where: Base-Base interactions energy: -1405.638 where: short stacking energy: -622.556 Base-Backbone interact. energy: -2.584 local terms energy: -656.182352 where: bonds (distance) C4'-P energy: -116.200 bonds (distance) P-C4' energy: -113.270 flat angles C4'-P-C4' energy: -134.255 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -199.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1968.597848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.597848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.597848 (E_RNA) where: Base-Base interactions energy: -1335.957 where: short stacking energy: -588.139 Base-Backbone interact. energy: -0.523 local terms energy: -632.118531 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -125.992 flat angles C4'-P-C4' energy: -121.605 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -180.131 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: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1829.585412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.585412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.585412 (E_RNA) where: Base-Base interactions energy: -1241.196 where: short stacking energy: -540.473 Base-Backbone interact. energy: -3.802 local terms energy: -584.587230 where: bonds (distance) C4'-P energy: -99.360 bonds (distance) P-C4' energy: -123.179 flat angles C4'-P-C4' energy: -125.989 flat angles P-C4'-P energy: -75.310 tors. eta vs tors. theta energy: -160.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1769.583908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.583908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.583908 (E_RNA) where: Base-Base interactions energy: -1200.837 where: short stacking energy: -522.432 Base-Backbone interact. energy: -0.292 local terms energy: -568.455331 where: bonds (distance) C4'-P energy: -109.798 bonds (distance) P-C4' energy: -105.104 flat angles C4'-P-C4' energy: -124.359 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -159.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1641.252462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.252462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.252462 (E_RNA) where: Base-Base interactions energy: -1118.921 where: short stacking energy: -476.677 Base-Backbone interact. energy: -2.870 local terms energy: -519.462234 where: bonds (distance) C4'-P energy: -98.021 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -106.200 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -129.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1457.861154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.861154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.861154 (E_RNA) where: Base-Base interactions energy: -945.556 where: short stacking energy: -397.648 Base-Backbone interact. energy: -2.794 local terms energy: -509.510961 where: bonds (distance) C4'-P energy: -101.287 bonds (distance) P-C4' energy: -108.142 flat angles C4'-P-C4' energy: -117.522 flat angles P-C4'-P energy: -71.219 tors. eta vs tors. theta energy: -111.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1303.259165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.259165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.259165 (E_RNA) where: Base-Base interactions energy: -861.125 where: short stacking energy: -374.468 Base-Backbone interact. energy: 1.788 local terms energy: -443.922024 where: bonds (distance) C4'-P energy: -97.952 bonds (distance) P-C4' energy: -102.843 flat angles C4'-P-C4' energy: -98.234 flat angles P-C4'-P energy: -75.527 tors. eta vs tors. theta energy: -69.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1116.627574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.627574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.627574 (E_RNA) where: Base-Base interactions energy: -725.245 where: short stacking energy: -340.774 Base-Backbone interact. energy: -4.340 local terms energy: -387.042032 where: bonds (distance) C4'-P energy: -84.168 bonds (distance) P-C4' energy: -100.882 flat angles C4'-P-C4' energy: -97.829 flat angles P-C4'-P energy: -53.328 tors. eta vs tors. theta energy: -50.835 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: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -665.273766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.273766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.273766 (E_RNA) where: Base-Base interactions energy: -333.816 where: short stacking energy: -197.051 Base-Backbone interact. energy: 0.158 local terms energy: -331.616055 where: bonds (distance) C4'-P energy: -95.555 bonds (distance) P-C4' energy: -86.518 flat angles C4'-P-C4' energy: -75.086 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -15.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -476.168757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.168757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.168757 (E_RNA) where: Base-Base interactions energy: -178.923 where: short stacking energy: -138.380 Base-Backbone interact. energy: 1.764 local terms energy: -299.009677 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -99.739 flat angles C4'-P-C4' energy: -73.982 flat angles P-C4'-P energy: -54.152 tors. eta vs tors. theta energy: 9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2054.675600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.675600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.675600 (E_RNA) where: Base-Base interactions energy: -1403.231 where: short stacking energy: -609.067 Base-Backbone interact. energy: -2.883 local terms energy: -648.561960 where: bonds (distance) C4'-P energy: -117.884 bonds (distance) P-C4' energy: -123.534 flat angles C4'-P-C4' energy: -130.354 flat angles P-C4'-P energy: -93.268 tors. eta vs tors. theta energy: -183.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1957.946178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.946178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.946178 (E_RNA) where: Base-Base interactions energy: -1345.410 where: short stacking energy: -589.190 Base-Backbone interact. energy: -0.115 local terms energy: -612.420927 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -117.386 flat angles C4'-P-C4' energy: -133.461 flat angles P-C4'-P energy: -88.968 tors. eta vs tors. theta energy: -170.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1822.799512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.799512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.799512 (E_RNA) where: Base-Base interactions energy: -1255.211 where: short stacking energy: -544.650 Base-Backbone interact. energy: -2.698 local terms energy: -564.889876 where: bonds (distance) C4'-P energy: -107.372 bonds (distance) P-C4' energy: -105.984 flat angles C4'-P-C4' energy: -119.145 flat angles P-C4'-P energy: -68.667 tors. eta vs tors. theta energy: -163.721 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: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1766.939818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.939818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.939818 (E_RNA) where: Base-Base interactions energy: -1185.955 where: short stacking energy: -529.639 Base-Backbone interact. energy: -0.526 local terms energy: -580.457869 where: bonds (distance) C4'-P energy: -119.366 bonds (distance) P-C4' energy: -111.302 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -76.828 tors. eta vs tors. theta energy: -163.555 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: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1652.499831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.499831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.499831 (E_RNA) where: Base-Base interactions energy: -1142.174 where: short stacking energy: -476.276 Base-Backbone interact. energy: -2.983 local terms energy: -507.342923 where: bonds (distance) C4'-P energy: -98.803 bonds (distance) P-C4' energy: -95.467 flat angles C4'-P-C4' energy: -117.193 flat angles P-C4'-P energy: -69.168 tors. eta vs tors. theta energy: -126.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1456.632130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.632130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.632130 (E_RNA) where: Base-Base interactions energy: -973.317 where: short stacking energy: -425.506 Base-Backbone interact. energy: 3.384 local terms energy: -486.698776 where: bonds (distance) C4'-P energy: -104.614 bonds (distance) P-C4' energy: -105.782 flat angles C4'-P-C4' energy: -110.197 flat angles P-C4'-P energy: -74.427 tors. eta vs tors. theta energy: -91.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1317.109033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.109033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.109033 (E_RNA) where: Base-Base interactions energy: -862.322 where: short stacking energy: -373.420 Base-Backbone interact. energy: -1.898 local terms energy: -452.888873 where: bonds (distance) C4'-P energy: -93.448 bonds (distance) P-C4' energy: -91.418 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -68.538 tors. eta vs tors. theta energy: -85.157 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: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1063.986078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.986078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.986078 (E_RNA) where: Base-Base interactions energy: -676.020 where: short stacking energy: -284.211 Base-Backbone interact. energy: 0.890 local terms energy: -388.856286 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -85.481 flat angles C4'-P-C4' energy: -92.173 flat angles P-C4'-P energy: -62.886 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: 9, replica: 4 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -670.586947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.586947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.586947 (E_RNA) where: Base-Base interactions energy: -313.793 where: short stacking energy: -201.065 Base-Backbone interact. energy: 4.185 local terms energy: -360.978809 where: bonds (distance) C4'-P energy: -105.645 bonds (distance) P-C4' energy: -96.553 flat angles C4'-P-C4' energy: -95.710 flat angles P-C4'-P energy: -41.383 tors. eta vs tors. theta energy: -21.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -481.606395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.606395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.606395 (E_RNA) where: Base-Base interactions energy: -178.977 where: short stacking energy: -131.091 Base-Backbone interact. energy: 0.448 local terms energy: -303.077232 where: bonds (distance) C4'-P energy: -92.307 bonds (distance) P-C4' energy: -112.883 flat angles C4'-P-C4' energy: -84.837 flat angles P-C4'-P energy: -36.124 tors. eta vs tors. theta energy: 23.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2014.808453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.808453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.808453 (E_RNA) where: Base-Base interactions energy: -1379.425 where: short stacking energy: -577.834 Base-Backbone interact. energy: -2.743 local terms energy: -632.640351 where: bonds (distance) C4'-P energy: -99.332 bonds (distance) P-C4' energy: -131.965 flat angles C4'-P-C4' energy: -135.658 flat angles P-C4'-P energy: -85.096 tors. eta vs tors. theta energy: -180.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1965.768979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.768979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.768979 (E_RNA) where: Base-Base interactions energy: -1356.864 where: short stacking energy: -579.708 Base-Backbone interact. energy: -2.690 local terms energy: -606.214889 where: bonds (distance) C4'-P energy: -101.644 bonds (distance) P-C4' energy: -111.755 flat angles C4'-P-C4' energy: -131.755 flat angles P-C4'-P energy: -98.267 tors. eta vs tors. theta energy: -162.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1828.303772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.303772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.303772 (E_RNA) where: Base-Base interactions energy: -1245.393 where: short stacking energy: -549.023 Base-Backbone interact. energy: -2.304 local terms energy: -580.606410 where: bonds (distance) C4'-P energy: -112.910 bonds (distance) P-C4' energy: -99.255 flat angles C4'-P-C4' energy: -124.502 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -165.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1733.358782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.358782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.358782 (E_RNA) where: Base-Base interactions energy: -1208.575 where: short stacking energy: -515.578 Base-Backbone interact. energy: -1.159 local terms energy: -523.625155 where: bonds (distance) C4'-P energy: -107.192 bonds (distance) P-C4' energy: -94.546 flat angles C4'-P-C4' energy: -110.306 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -151.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1621.560308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.560308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.560308 (E_RNA) where: Base-Base interactions energy: -1089.988 where: short stacking energy: -467.748 Base-Backbone interact. energy: 0.836 local terms energy: -532.408426 where: bonds (distance) C4'-P energy: -96.502 bonds (distance) P-C4' energy: -115.200 flat angles C4'-P-C4' energy: -113.601 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -124.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1482.794795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.794795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.794795 (E_RNA) where: Base-Base interactions energy: -1004.832 where: short stacking energy: -419.095 Base-Backbone interact. energy: -3.684 local terms energy: -474.278719 where: bonds (distance) C4'-P energy: -102.565 bonds (distance) P-C4' energy: -102.725 flat angles C4'-P-C4' energy: -109.010 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: -108.515 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: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1346.531970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.531970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.531970 (E_RNA) where: Base-Base interactions energy: -898.621 where: short stacking energy: -391.347 Base-Backbone interact. energy: 5.111 local terms energy: -453.021949 where: bonds (distance) C4'-P energy: -88.264 bonds (distance) P-C4' energy: -106.021 flat angles C4'-P-C4' energy: -103.486 flat angles P-C4'-P energy: -62.474 tors. eta vs tors. theta energy: -92.776 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: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1121.721184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.721184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.721184 (E_RNA) where: Base-Base interactions energy: -707.136 where: short stacking energy: -338.004 Base-Backbone interact. energy: -2.790 local terms energy: -411.796066 where: bonds (distance) C4'-P energy: -85.774 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -100.497 flat angles P-C4'-P energy: -74.707 tors. eta vs tors. theta energy: -60.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -692.319913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.319913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.319913 (E_RNA) where: Base-Base interactions energy: -357.820 where: short stacking energy: -197.306 Base-Backbone interact. energy: 10.734 local terms energy: -345.233804 where: bonds (distance) C4'-P energy: -93.574 bonds (distance) P-C4' energy: -99.555 flat angles C4'-P-C4' energy: -86.795 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -474.214556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.214556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.214556 (E_RNA) where: Base-Base interactions energy: -190.126 where: short stacking energy: -142.519 Base-Backbone interact. energy: 3.343 local terms energy: -287.431428 where: bonds (distance) C4'-P energy: -92.971 bonds (distance) P-C4' energy: -88.607 flat angles C4'-P-C4' energy: -93.736 flat angles P-C4'-P energy: -31.860 tors. eta vs tors. theta energy: 19.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2030.422795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.422795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.422795 (E_RNA) where: Base-Base interactions energy: -1396.438 where: short stacking energy: -616.257 Base-Backbone interact. energy: -2.669 local terms energy: -631.315261 where: bonds (distance) C4'-P energy: -110.186 bonds (distance) P-C4' energy: -113.506 flat angles C4'-P-C4' energy: -136.323 flat angles P-C4'-P energy: -84.985 tors. eta vs tors. theta energy: -186.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1941.763798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.763798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.763798 (E_RNA) where: Base-Base interactions energy: -1320.647 where: short stacking energy: -558.566 Base-Backbone interact. energy: -2.419 local terms energy: -618.697462 where: bonds (distance) C4'-P energy: -109.466 bonds (distance) P-C4' energy: -114.661 flat angles C4'-P-C4' energy: -128.495 flat angles P-C4'-P energy: -94.707 tors. eta vs tors. theta energy: -171.369 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: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1777.979341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.979341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.979341 (E_RNA) where: Base-Base interactions energy: -1208.080 where: short stacking energy: -512.662 Base-Backbone interact. energy: -1.433 local terms energy: -568.466431 where: bonds (distance) C4'-P energy: -118.192 bonds (distance) P-C4' energy: -108.234 flat angles C4'-P-C4' energy: -106.662 flat angles P-C4'-P energy: -82.780 tors. eta vs tors. theta energy: -152.598 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: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1765.162893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.162893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.162893 (E_RNA) where: Base-Base interactions energy: -1186.851 where: short stacking energy: -529.380 Base-Backbone interact. energy: -4.073 local terms energy: -574.239197 where: bonds (distance) C4'-P energy: -102.577 bonds (distance) P-C4' energy: -106.958 flat angles C4'-P-C4' energy: -123.173 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -161.014 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: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1576.665611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.665611 (E_RNA) where: Base-Base interactions energy: -1078.124 where: short stacking energy: -474.586 Base-Backbone interact. energy: 2.750 local terms energy: -501.291325 where: bonds (distance) C4'-P energy: -98.018 bonds (distance) P-C4' energy: -94.074 flat angles C4'-P-C4' energy: -120.528 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -120.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1481.601538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.601538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.601538 (E_RNA) where: Base-Base interactions energy: -985.648 where: short stacking energy: -429.092 Base-Backbone interact. energy: -5.617 local terms energy: -490.336645 where: bonds (distance) C4'-P energy: -88.350 bonds (distance) P-C4' energy: -103.363 flat angles C4'-P-C4' energy: -111.421 flat angles P-C4'-P energy: -82.122 tors. eta vs tors. theta energy: -105.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1365.407052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.407052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.407052 (E_RNA) where: Base-Base interactions energy: -896.919 where: short stacking energy: -407.314 Base-Backbone interact. energy: -3.887 local terms energy: -464.601272 where: bonds (distance) C4'-P energy: -99.555 bonds (distance) P-C4' energy: -92.700 flat angles C4'-P-C4' energy: -103.133 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -98.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1139.212800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.212800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.212800 (E_RNA) where: Base-Base interactions energy: -740.202 where: short stacking energy: -301.582 Base-Backbone interact. energy: -2.313 local terms energy: -396.698262 where: bonds (distance) C4'-P energy: -96.786 bonds (distance) P-C4' energy: -90.768 flat angles C4'-P-C4' energy: -101.247 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -57.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -777.859131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.859131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.859131 (E_RNA) where: Base-Base interactions energy: -412.824 where: short stacking energy: -242.313 Base-Backbone interact. energy: 0.469 local terms energy: -365.504890 where: bonds (distance) C4'-P energy: -94.514 bonds (distance) P-C4' energy: -80.475 flat angles C4'-P-C4' energy: -98.771 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -42.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -446.264860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.264860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.264860 (E_RNA) where: Base-Base interactions energy: -142.882 where: short stacking energy: -128.354 Base-Backbone interact. energy: 0.168 local terms energy: -303.551379 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -117.556 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -62.194 tors. eta vs tors. theta energy: 22.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2024.073707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.073707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.073707 (E_RNA) where: Base-Base interactions energy: -1373.942 where: short stacking energy: -602.975 Base-Backbone interact. energy: -2.438 local terms energy: -647.693356 where: bonds (distance) C4'-P energy: -126.487 bonds (distance) P-C4' energy: -111.430 flat angles C4'-P-C4' energy: -138.848 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: -188.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1963.362968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.362968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.362968 (E_RNA) where: Base-Base interactions energy: -1353.265 where: short stacking energy: -579.730 Base-Backbone interact. energy: -2.367 local terms energy: -607.730662 where: bonds (distance) C4'-P energy: -108.364 bonds (distance) P-C4' energy: -107.788 flat angles C4'-P-C4' energy: -118.166 flat angles P-C4'-P energy: -100.590 tors. eta vs tors. theta energy: -172.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1806.910077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.910077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.910077 (E_RNA) where: Base-Base interactions energy: -1229.101 where: short stacking energy: -529.162 Base-Backbone interact. energy: -3.872 local terms energy: -573.937566 where: bonds (distance) C4'-P energy: -105.319 bonds (distance) P-C4' energy: -104.958 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -75.285 tors. eta vs tors. theta energy: -161.923 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: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1735.136520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.136520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.136520 (E_RNA) where: Base-Base interactions energy: -1193.110 where: short stacking energy: -523.802 Base-Backbone interact. energy: -0.026 local terms energy: -542.000299 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -104.531 flat angles C4'-P-C4' energy: -122.607 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -146.325 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: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1622.113067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.113067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.113067 (E_RNA) where: Base-Base interactions energy: -1105.809 where: short stacking energy: -468.336 Base-Backbone interact. energy: -0.485 local terms energy: -515.818958 where: bonds (distance) C4'-P energy: -99.445 bonds (distance) P-C4' energy: -108.840 flat angles C4'-P-C4' energy: -105.218 flat angles P-C4'-P energy: -80.383 tors. eta vs tors. theta energy: -121.934 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: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1483.624793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.624793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.624793 (E_RNA) where: Base-Base interactions energy: -1019.214 where: short stacking energy: -412.856 Base-Backbone interact. energy: 3.291 local terms energy: -467.701880 where: bonds (distance) C4'-P energy: -91.854 bonds (distance) P-C4' energy: -112.827 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -92.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1392.015844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.015844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.015844 (E_RNA) where: Base-Base interactions energy: -918.590 where: short stacking energy: -403.829 Base-Backbone interact. energy: -2.699 local terms energy: -470.726711 where: bonds (distance) C4'-P energy: -109.720 bonds (distance) P-C4' energy: -100.439 flat angles C4'-P-C4' energy: -100.210 flat angles P-C4'-P energy: -58.548 tors. eta vs tors. theta energy: -101.810 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: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1072.752013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.752013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.752013 (E_RNA) where: Base-Base interactions energy: -686.859 where: short stacking energy: -307.287 Base-Backbone interact. energy: -1.626 local terms energy: -384.266602 where: bonds (distance) C4'-P energy: -98.474 bonds (distance) P-C4' energy: -96.468 flat angles C4'-P-C4' energy: -101.367 flat angles P-C4'-P energy: -48.479 tors. eta vs tors. theta energy: -39.479 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: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -753.692661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.692661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.692661 (E_RNA) where: Base-Base interactions energy: -393.936 where: short stacking energy: -232.459 Base-Backbone interact. energy: 2.687 local terms energy: -362.443619 where: bonds (distance) C4'-P energy: -96.426 bonds (distance) P-C4' energy: -93.903 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -37.456 tors. eta vs tors. theta energy: -35.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -502.170104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.170104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.170104 (E_RNA) where: Base-Base interactions energy: -198.775 where: short stacking energy: -132.183 Base-Backbone interact. energy: 3.257 local terms energy: -306.652721 where: bonds (distance) C4'-P energy: -106.665 bonds (distance) P-C4' energy: -106.275 flat angles C4'-P-C4' energy: -87.606 flat angles P-C4'-P energy: -32.991 tors. eta vs tors. theta energy: 26.885 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: 391 Temperature: 0.900000 Total energy: -2024.930471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.930471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.930471 (E_RNA) where: Base-Base interactions energy: -1380.848 where: short stacking energy: -611.451 Base-Backbone interact. energy: -0.721 local terms energy: -643.361480 where: bonds (distance) C4'-P energy: -106.140 bonds (distance) P-C4' energy: -114.657 flat angles C4'-P-C4' energy: -132.648 flat angles P-C4'-P energy: -102.542 tors. eta vs tors. theta energy: -187.375 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: 391 Temperature: 0.950000 Total energy: -2001.612062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.612062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.612062 (E_RNA) where: Base-Base interactions energy: -1380.261 where: short stacking energy: -618.707 Base-Backbone interact. energy: -0.614 local terms energy: -620.737380 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -104.881 flat angles C4'-P-C4' energy: -139.597 flat angles P-C4'-P energy: -87.477 tors. eta vs tors. theta energy: -181.185 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: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1792.855637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.855637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.855637 (E_RNA) where: Base-Base interactions energy: -1207.733 where: short stacking energy: -516.985 Base-Backbone interact. energy: -3.871 local terms energy: -581.251217 where: bonds (distance) C4'-P energy: -116.759 bonds (distance) P-C4' energy: -105.689 flat angles C4'-P-C4' energy: -125.034 flat angles P-C4'-P energy: -78.652 tors. eta vs tors. theta energy: -155.116 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: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1765.484899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.484899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.484899 (E_RNA) where: Base-Base interactions energy: -1206.769 where: short stacking energy: -543.840 Base-Backbone interact. energy: 1.348 local terms energy: -560.064178 where: bonds (distance) C4'-P energy: -97.047 bonds (distance) P-C4' energy: -109.639 flat angles C4'-P-C4' energy: -112.694 flat angles P-C4'-P energy: -83.297 tors. eta vs tors. theta energy: -157.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1602.248466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.248466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.248466 (E_RNA) where: Base-Base interactions energy: -1083.859 where: short stacking energy: -495.704 Base-Backbone interact. energy: -2.190 local terms energy: -516.199462 where: bonds (distance) C4'-P energy: -93.247 bonds (distance) P-C4' energy: -110.538 flat angles C4'-P-C4' energy: -121.830 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -122.728 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: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1539.252555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.252555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.252555 (E_RNA) where: Base-Base interactions energy: -1048.216 where: short stacking energy: -447.946 Base-Backbone interact. energy: 0.983 local terms energy: -492.019647 where: bonds (distance) C4'-P energy: -102.237 bonds (distance) P-C4' energy: -98.374 flat angles C4'-P-C4' energy: -105.737 flat angles P-C4'-P energy: -67.788 tors. eta vs tors. theta energy: -117.884 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: 391 Temperature: 1.200000 Total energy: -1433.216945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.216945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.216945 (E_RNA) where: Base-Base interactions energy: -941.413 where: short stacking energy: -387.799 Base-Backbone interact. energy: -2.858 local terms energy: -488.945336 where: bonds (distance) C4'-P energy: -113.677 bonds (distance) P-C4' energy: -77.920 flat angles C4'-P-C4' energy: -123.615 flat angles P-C4'-P energy: -77.597 tors. eta vs tors. theta energy: -96.137 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: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1099.478694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.478694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.478694 (E_RNA) where: Base-Base interactions energy: -688.741 where: short stacking energy: -324.560 Base-Backbone interact. energy: -1.292 local terms energy: -409.445733 where: bonds (distance) C4'-P energy: -104.635 bonds (distance) P-C4' energy: -87.069 flat angles C4'-P-C4' energy: -95.167 flat angles P-C4'-P energy: -51.936 tors. eta vs tors. theta energy: -70.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -666.522842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.522842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.522842 (E_RNA) where: Base-Base interactions energy: -348.462 where: short stacking energy: -197.939 Base-Backbone interact. energy: 8.574 local terms energy: -326.634789 where: bonds (distance) C4'-P energy: -92.849 bonds (distance) P-C4' energy: -90.446 flat angles C4'-P-C4' energy: -87.695 flat angles P-C4'-P energy: -49.279 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -573.315940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.315940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.315940 (E_RNA) where: Base-Base interactions energy: -271.953 where: short stacking energy: -155.461 Base-Backbone interact. energy: -0.577 local terms energy: -300.785804 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -97.097 flat angles C4'-P-C4' energy: -90.377 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: 17.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2005.407942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.407942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.407942 (E_RNA) where: Base-Base interactions energy: -1363.444 where: short stacking energy: -589.539 Base-Backbone interact. energy: -3.111 local terms energy: -638.852443 where: bonds (distance) C4'-P energy: -105.880 bonds (distance) P-C4' energy: -116.008 flat angles C4'-P-C4' energy: -134.210 flat angles P-C4'-P energy: -95.342 tors. eta vs tors. theta energy: -187.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1990.828569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.828569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.828569 (E_RNA) where: Base-Base interactions energy: -1347.967 where: short stacking energy: -580.657 Base-Backbone interact. energy: -2.685 local terms energy: -640.176042 where: bonds (distance) C4'-P energy: -117.389 bonds (distance) P-C4' energy: -121.195 flat angles C4'-P-C4' energy: -133.926 flat angles P-C4'-P energy: -82.281 tors. eta vs tors. theta energy: -185.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1828.283665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.283665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.283665 (E_RNA) where: Base-Base interactions energy: -1228.738 where: short stacking energy: -542.126 Base-Backbone interact. energy: -2.809 local terms energy: -596.736972 where: bonds (distance) C4'-P energy: -124.619 bonds (distance) P-C4' energy: -109.658 flat angles C4'-P-C4' energy: -119.633 flat angles P-C4'-P energy: -76.928 tors. eta vs tors. theta energy: -165.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1737.459375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.459375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.459375 (E_RNA) where: Base-Base interactions energy: -1191.853 where: short stacking energy: -503.821 Base-Backbone interact. energy: 0.925 local terms energy: -546.531125 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -97.028 flat angles C4'-P-C4' energy: -119.741 flat angles P-C4'-P energy: -77.871 tors. eta vs tors. theta energy: -136.065 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: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1600.880854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.880854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.880854 (E_RNA) where: Base-Base interactions energy: -1119.192 where: short stacking energy: -503.748 Base-Backbone interact. energy: -2.217 local terms energy: -479.471876 where: bonds (distance) C4'-P energy: -79.416 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -105.770 flat angles P-C4'-P energy: -62.309 tors. eta vs tors. theta energy: -131.669 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: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1573.746803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.746803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.746803 (E_RNA) where: Base-Base interactions energy: -1093.577 where: short stacking energy: -479.395 Base-Backbone interact. energy: -1.007 local terms energy: -479.162286 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -110.522 flat angles C4'-P-C4' energy: -96.923 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -120.786 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: 7, replica: 7 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1423.257335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.257335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.257335 (E_RNA) where: Base-Base interactions energy: -971.538 where: short stacking energy: -428.843 Base-Backbone interact. energy: -0.959 local terms energy: -450.760548 where: bonds (distance) C4'-P energy: -108.334 bonds (distance) P-C4' energy: -87.157 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -43.839 tors. eta vs tors. theta energy: -103.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1081.936850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.936850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.936850 (E_RNA) where: Base-Base interactions energy: -656.617 where: short stacking energy: -298.349 Base-Backbone interact. energy: -1.540 local terms energy: -423.780018 where: bonds (distance) C4'-P energy: -89.269 bonds (distance) P-C4' energy: -90.894 flat angles C4'-P-C4' energy: -102.475 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -71.140 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: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -677.311793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.311793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.311793 (E_RNA) where: Base-Base interactions energy: -344.678 where: short stacking energy: -160.707 Base-Backbone interact. energy: 1.573 local terms energy: -334.205953 where: bonds (distance) C4'-P energy: -93.937 bonds (distance) P-C4' energy: -102.164 flat angles C4'-P-C4' energy: -77.523 flat angles P-C4'-P energy: -62.541 tors. eta vs tors. theta energy: 1.959 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: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -483.831730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.831730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.831730 (E_RNA) where: Base-Base interactions energy: -199.984 where: short stacking energy: -130.549 Base-Backbone interact. energy: 1.021 local terms energy: -284.868635 where: bonds (distance) C4'-P energy: -102.220 bonds (distance) P-C4' energy: -85.353 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -36.919 tors. eta vs tors. theta energy: 6.598 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: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2009.709280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.709280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.709280 (E_RNA) where: Base-Base interactions energy: -1383.585 where: short stacking energy: -598.875 Base-Backbone interact. energy: 0.904 local terms energy: -627.027946 where: bonds (distance) C4'-P energy: -114.539 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -134.599 flat angles P-C4'-P energy: -81.773 tors. eta vs tors. theta energy: -176.044 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: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1999.701587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.701587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.701587 (E_RNA) where: Base-Base interactions energy: -1396.783 where: short stacking energy: -601.376 Base-Backbone interact. energy: -3.843 local terms energy: -599.074998 where: bonds (distance) C4'-P energy: -97.594 bonds (distance) P-C4' energy: -98.691 flat angles C4'-P-C4' energy: -132.635 flat angles P-C4'-P energy: -89.697 tors. eta vs tors. theta energy: -180.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1842.825390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.825390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.825390 (E_RNA) where: Base-Base interactions energy: -1243.072 where: short stacking energy: -551.072 Base-Backbone interact. energy: -2.486 local terms energy: -597.267762 where: bonds (distance) C4'-P energy: -110.027 bonds (distance) P-C4' energy: -106.269 flat angles C4'-P-C4' energy: -131.151 flat angles P-C4'-P energy: -89.670 tors. eta vs tors. theta energy: -160.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1720.680273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.680273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.680273 (E_RNA) where: Base-Base interactions energy: -1156.164 where: short stacking energy: -544.294 Base-Backbone interact. energy: -0.105 local terms energy: -564.410836 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -124.609 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -147.027 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: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1619.845436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.845436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.845436 (E_RNA) where: Base-Base interactions energy: -1105.688 where: short stacking energy: -491.266 Base-Backbone interact. energy: -1.892 local terms energy: -512.266223 where: bonds (distance) C4'-P energy: -85.986 bonds (distance) P-C4' energy: -102.404 flat angles C4'-P-C4' energy: -112.031 flat angles P-C4'-P energy: -69.730 tors. eta vs tors. theta energy: -142.115 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1560.335578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.335578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.335578 (E_RNA) where: Base-Base interactions energy: -1056.659 where: short stacking energy: -441.747 Base-Backbone interact. energy: -2.444 local terms energy: -501.233099 where: bonds (distance) C4'-P energy: -96.861 bonds (distance) P-C4' energy: -109.915 flat angles C4'-P-C4' energy: -113.084 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: -109.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1412.446885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.446885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.446885 (E_RNA) where: Base-Base interactions energy: -927.741 where: short stacking energy: -410.271 Base-Backbone interact. energy: -0.824 local terms energy: -483.881635 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -109.177 flat angles P-C4'-P energy: -66.842 tors. eta vs tors. theta energy: -108.840 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: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1060.070696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.070696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.070696 (E_RNA) where: Base-Base interactions energy: -653.028 where: short stacking energy: -289.687 Base-Backbone interact. energy: 10.011 local terms energy: -417.054560 where: bonds (distance) C4'-P energy: -99.109 bonds (distance) P-C4' energy: -94.514 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -65.978 tors. eta vs tors. theta energy: -52.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -707.813279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.813279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.813279 (E_RNA) where: Base-Base interactions energy: -380.037 where: short stacking energy: -218.419 Base-Backbone interact. energy: -2.802 local terms energy: -324.974596 where: bonds (distance) C4'-P energy: -94.876 bonds (distance) P-C4' energy: -94.595 flat angles C4'-P-C4' energy: -87.734 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -495.071055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.071055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.071055 (E_RNA) where: Base-Base interactions energy: -192.630 where: short stacking energy: -160.663 Base-Backbone interact. energy: 3.442 local terms energy: -305.883059 where: bonds (distance) C4'-P energy: -104.790 bonds (distance) P-C4' energy: -85.525 flat angles C4'-P-C4' energy: -81.540 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: 7.047 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: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2024.293180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.293180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.293180 (E_RNA) where: Base-Base interactions energy: -1410.545 where: short stacking energy: -596.415 Base-Backbone interact. energy: -4.184 local terms energy: -609.563641 where: bonds (distance) C4'-P energy: -113.199 bonds (distance) P-C4' energy: -105.105 flat angles C4'-P-C4' energy: -131.685 flat angles P-C4'-P energy: -77.156 tors. eta vs tors. theta energy: -182.418 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: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1999.115800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.115800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.115800 (E_RNA) where: Base-Base interactions energy: -1374.664 where: short stacking energy: -599.310 Base-Backbone interact. energy: -2.738 local terms energy: -621.713812 where: bonds (distance) C4'-P energy: -113.057 bonds (distance) P-C4' energy: -102.878 flat angles C4'-P-C4' energy: -137.850 flat angles P-C4'-P energy: -89.431 tors. eta vs tors. theta energy: -178.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1839.957932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.957932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.957932 (E_RNA) where: Base-Base interactions energy: -1246.767 where: short stacking energy: -565.120 Base-Backbone interact. energy: -1.723 local terms energy: -591.467205 where: bonds (distance) C4'-P energy: -92.031 bonds (distance) P-C4' energy: -112.706 flat angles C4'-P-C4' energy: -125.996 flat angles P-C4'-P energy: -92.099 tors. eta vs tors. theta energy: -168.635 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: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1719.245996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.245996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.245996 (E_RNA) where: Base-Base interactions energy: -1184.352 where: short stacking energy: -520.905 Base-Backbone interact. energy: -0.779 local terms energy: -534.115679 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -97.751 flat angles C4'-P-C4' energy: -129.462 flat angles P-C4'-P energy: -71.773 tors. eta vs tors. theta energy: -138.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1666.967867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.967867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.967867 (E_RNA) where: Base-Base interactions energy: -1115.721 where: short stacking energy: -512.732 Base-Backbone interact. energy: -0.543 local terms energy: -550.703880 where: bonds (distance) C4'-P energy: -104.763 bonds (distance) P-C4' energy: -120.962 flat angles C4'-P-C4' energy: -120.789 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -137.572 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1526.778510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.778510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.778510 (E_RNA) where: Base-Base interactions energy: -1035.798 where: short stacking energy: -443.427 Base-Backbone interact. energy: -2.407 local terms energy: -488.573881 where: bonds (distance) C4'-P energy: -102.579 bonds (distance) P-C4' energy: -100.231 flat angles C4'-P-C4' energy: -120.680 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -110.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1446.722599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.722599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.722599 (E_RNA) where: Base-Base interactions energy: -952.829 where: short stacking energy: -449.567 Base-Backbone interact. energy: 0.475 local terms energy: -494.369247 where: bonds (distance) C4'-P energy: -90.765 bonds (distance) P-C4' energy: -99.939 flat angles C4'-P-C4' energy: -114.256 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -111.327 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1063.307910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.307910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.307910 (E_RNA) where: Base-Base interactions energy: -664.755 where: short stacking energy: -321.025 Base-Backbone interact. energy: -2.885 local terms energy: -395.668760 where: bonds (distance) C4'-P energy: -86.754 bonds (distance) P-C4' energy: -98.831 flat angles C4'-P-C4' energy: -95.618 flat angles P-C4'-P energy: -57.119 tors. eta vs tors. theta energy: -57.347 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: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -676.163415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.163415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.163415 (E_RNA) where: Base-Base interactions energy: -324.567 where: short stacking energy: -186.536 Base-Backbone interact. energy: -1.464 local terms energy: -350.131828 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -107.188 flat angles C4'-P-C4' energy: -94.795 flat angles P-C4'-P energy: -38.839 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -490.065974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.065974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.065974 (E_RNA) where: Base-Base interactions energy: -182.290 where: short stacking energy: -129.626 Base-Backbone interact. energy: -0.430 local terms energy: -307.345246 where: bonds (distance) C4'-P energy: -88.804 bonds (distance) P-C4' energy: -98.295 flat angles C4'-P-C4' energy: -86.474 flat angles P-C4'-P energy: -45.407 tors. eta vs tors. theta energy: 11.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1979.678157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.678157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.678157 (E_RNA) where: Base-Base interactions energy: -1346.959 where: short stacking energy: -578.974 Base-Backbone interact. energy: -4.531 local terms energy: -628.187783 where: bonds (distance) C4'-P energy: -111.564 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -93.349 tors. eta vs tors. theta energy: -174.257 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: 395 Temperature: 0.950000 Total energy: -2005.487067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.487067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.487067 (E_RNA) where: Base-Base interactions energy: -1354.267 where: short stacking energy: -589.727 Base-Backbone interact. energy: -1.138 local terms energy: -650.082024 where: bonds (distance) C4'-P energy: -116.247 bonds (distance) P-C4' energy: -116.450 flat angles C4'-P-C4' energy: -140.293 flat angles P-C4'-P energy: -91.536 tors. eta vs tors. theta energy: -185.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1856.933650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.933650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.933650 (E_RNA) where: Base-Base interactions energy: -1248.587 where: short stacking energy: -545.249 Base-Backbone interact. energy: 4.785 local terms energy: -613.131947 where: bonds (distance) C4'-P energy: -111.277 bonds (distance) P-C4' energy: -109.235 flat angles C4'-P-C4' energy: -128.629 flat angles P-C4'-P energy: -95.833 tors. eta vs tors. theta energy: -168.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1732.403505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.403505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.403505 (E_RNA) where: Base-Base interactions energy: -1173.507 where: short stacking energy: -497.794 Base-Backbone interact. energy: -1.035 local terms energy: -557.861488 where: bonds (distance) C4'-P energy: -101.452 bonds (distance) P-C4' energy: -112.074 flat angles C4'-P-C4' energy: -133.323 flat angles P-C4'-P energy: -72.833 tors. eta vs tors. theta energy: -138.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1604.491513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.491513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.491513 (E_RNA) where: Base-Base interactions energy: -1082.393 where: short stacking energy: -454.321 Base-Backbone interact. energy: -3.033 local terms energy: -519.065156 where: bonds (distance) C4'-P energy: -94.058 bonds (distance) P-C4' energy: -113.644 flat angles C4'-P-C4' energy: -127.243 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -110.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1485.016799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.016799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.016799 (E_RNA) where: Base-Base interactions energy: -981.632 where: short stacking energy: -428.670 Base-Backbone interact. energy: -1.530 local terms energy: -501.854503 where: bonds (distance) C4'-P energy: -94.447 bonds (distance) P-C4' energy: -114.112 flat angles C4'-P-C4' energy: -110.806 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -114.419 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: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1417.855251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.855251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.855251 (E_RNA) where: Base-Base interactions energy: -954.092 where: short stacking energy: -418.082 Base-Backbone interact. energy: -2.748 local terms energy: -461.015149 where: bonds (distance) C4'-P energy: -107.559 bonds (distance) P-C4' energy: -95.465 flat angles C4'-P-C4' energy: -98.354 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: -107.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1082.721930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.721930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.721930 (E_RNA) where: Base-Base interactions energy: -688.492 where: short stacking energy: -301.508 Base-Backbone interact. energy: 0.118 local terms energy: -394.347670 where: bonds (distance) C4'-P energy: -94.210 bonds (distance) P-C4' energy: -92.892 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -50.243 tors. eta vs tors. theta energy: -54.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -697.072218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.072218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.072218 (E_RNA) where: Base-Base interactions energy: -354.353 where: short stacking energy: -208.530 Base-Backbone interact. energy: 4.809 local terms energy: -347.527714 where: bonds (distance) C4'-P energy: -87.271 bonds (distance) P-C4' energy: -107.309 flat angles C4'-P-C4' energy: -74.948 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -30.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -495.834012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.834012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.834012 (E_RNA) where: Base-Base interactions energy: -175.148 where: short stacking energy: -115.056 Base-Backbone interact. energy: -1.791 local terms energy: -318.894866 where: bonds (distance) C4'-P energy: -102.316 bonds (distance) P-C4' energy: -94.303 flat angles C4'-P-C4' energy: -77.565 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: 15.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1990.318615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.318615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.318615 (E_RNA) where: Base-Base interactions energy: -1362.584 where: short stacking energy: -600.739 Base-Backbone interact. energy: -2.880 local terms energy: -624.854567 where: bonds (distance) C4'-P energy: -124.047 bonds (distance) P-C4' energy: -101.268 flat angles C4'-P-C4' energy: -131.922 flat angles P-C4'-P energy: -91.059 tors. eta vs tors. theta energy: -176.558 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: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1982.507772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.507772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.507772 (E_RNA) where: Base-Base interactions energy: -1367.892 where: short stacking energy: -596.704 Base-Backbone interact. energy: -3.487 local terms energy: -611.128794 where: bonds (distance) C4'-P energy: -110.468 bonds (distance) P-C4' energy: -98.738 flat angles C4'-P-C4' energy: -136.829 flat angles P-C4'-P energy: -88.072 tors. eta vs tors. theta energy: -177.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1832.293811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.293811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.293811 (E_RNA) where: Base-Base interactions energy: -1247.982 where: short stacking energy: -555.065 Base-Backbone interact. energy: -5.760 local terms energy: -578.551072 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -124.040 flat angles C4'-P-C4' energy: -103.940 flat angles P-C4'-P energy: -75.158 tors. eta vs tors. theta energy: -161.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1745.202396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.202396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.202396 (E_RNA) where: Base-Base interactions energy: -1172.561 where: short stacking energy: -509.459 Base-Backbone interact. energy: 1.321 local terms energy: -573.962119 where: bonds (distance) C4'-P energy: -115.429 bonds (distance) P-C4' energy: -100.180 flat angles C4'-P-C4' energy: -125.144 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -154.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1604.534945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.534945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.534945 (E_RNA) where: Base-Base interactions energy: -1079.815 where: short stacking energy: -475.968 Base-Backbone interact. energy: 0.229 local terms energy: -524.948690 where: bonds (distance) C4'-P energy: -113.304 bonds (distance) P-C4' energy: -98.009 flat angles C4'-P-C4' energy: -111.784 flat angles P-C4'-P energy: -73.366 tors. eta vs tors. theta energy: -128.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1633.018034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.018034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.018034 (E_RNA) where: Base-Base interactions energy: -1118.028 where: short stacking energy: -485.606 Base-Backbone interact. energy: 2.401 local terms energy: -517.391473 where: bonds (distance) C4'-P energy: -97.627 bonds (distance) P-C4' energy: -98.011 flat angles C4'-P-C4' energy: -118.933 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: -122.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1428.444038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.444038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.444038 (E_RNA) where: Base-Base interactions energy: -962.232 where: short stacking energy: -417.720 Base-Backbone interact. energy: 0.294 local terms energy: -466.505794 where: bonds (distance) C4'-P energy: -97.080 bonds (distance) P-C4' energy: -103.515 flat angles C4'-P-C4' energy: -109.358 flat angles P-C4'-P energy: -57.080 tors. eta vs tors. theta energy: -99.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1096.185314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.185314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.185314 (E_RNA) where: Base-Base interactions energy: -690.874 where: short stacking energy: -295.956 Base-Backbone interact. energy: 0.958 local terms energy: -406.269050 where: bonds (distance) C4'-P energy: -87.905 bonds (distance) P-C4' energy: -89.381 flat angles C4'-P-C4' energy: -100.411 flat angles P-C4'-P energy: -70.163 tors. eta vs tors. theta energy: -58.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -699.444175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.444175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.444175 (E_RNA) where: Base-Base interactions energy: -362.468 where: short stacking energy: -207.503 Base-Backbone interact. energy: -1.556 local terms energy: -335.420155 where: bonds (distance) C4'-P energy: -105.807 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -89.428 flat angles P-C4'-P energy: -47.746 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -546.095973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.095973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.095973 (E_RNA) where: Base-Base interactions energy: -233.032 where: short stacking energy: -160.486 Base-Backbone interact. energy: 0.252 local terms energy: -313.316370 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -110.867 flat angles C4'-P-C4' energy: -67.815 flat angles P-C4'-P energy: -59.765 tors. eta vs tors. theta energy: 12.224 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: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2024.993055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.993055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.993055 (E_RNA) where: Base-Base interactions energy: -1391.598 where: short stacking energy: -580.737 Base-Backbone interact. energy: -1.137 local terms energy: -632.258551 where: bonds (distance) C4'-P energy: -111.516 bonds (distance) P-C4' energy: -120.051 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -93.854 tors. eta vs tors. theta energy: -171.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1982.501807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.501807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.501807 (E_RNA) where: Base-Base interactions energy: -1360.698 where: short stacking energy: -598.420 Base-Backbone interact. energy: -2.614 local terms energy: -619.189469 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -119.040 flat angles C4'-P-C4' energy: -126.275 flat angles P-C4'-P energy: -81.380 tors. eta vs tors. theta energy: -175.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1834.502834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.502834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.502834 (E_RNA) where: Base-Base interactions energy: -1251.933 where: short stacking energy: -551.933 Base-Backbone interact. energy: 2.531 local terms energy: -585.100790 where: bonds (distance) C4'-P energy: -100.724 bonds (distance) P-C4' energy: -110.624 flat angles C4'-P-C4' energy: -128.054 flat angles P-C4'-P energy: -85.697 tors. eta vs tors. theta energy: -160.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1766.510069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.510069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.510069 (E_RNA) where: Base-Base interactions energy: -1194.839 where: short stacking energy: -525.633 Base-Backbone interact. energy: 0.348 local terms energy: -572.019628 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -110.523 flat angles C4'-P-C4' energy: -123.661 flat angles P-C4'-P energy: -70.965 tors. eta vs tors. theta energy: -148.340 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: 397 Temperature: 1.100000 Total energy: -1617.222309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.222309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.222309 (E_RNA) where: Base-Base interactions energy: -1118.464 where: short stacking energy: -445.666 Base-Backbone interact. energy: -2.852 local terms energy: -495.905972 where: bonds (distance) C4'-P energy: -100.096 bonds (distance) P-C4' energy: -95.946 flat angles C4'-P-C4' energy: -113.754 flat angles P-C4'-P energy: -60.620 tors. eta vs tors. theta energy: -125.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1594.489687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.489687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.489687 (E_RNA) where: Base-Base interactions energy: -1078.551 where: short stacking energy: -456.019 Base-Backbone interact. energy: 1.808 local terms energy: -517.746843 where: bonds (distance) C4'-P energy: -95.314 bonds (distance) P-C4' energy: -110.944 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -76.664 tors. eta vs tors. theta energy: -121.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1382.632483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.632483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.632483 (E_RNA) where: Base-Base interactions energy: -909.082 where: short stacking energy: -397.831 Base-Backbone interact. energy: -1.500 local terms energy: -472.050353 where: bonds (distance) C4'-P energy: -106.227 bonds (distance) P-C4' energy: -97.682 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -68.930 tors. eta vs tors. theta energy: -98.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1090.628461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.628461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.628461 (E_RNA) where: Base-Base interactions energy: -689.162 where: short stacking energy: -315.393 Base-Backbone interact. energy: 1.854 local terms energy: -403.319547 where: bonds (distance) C4'-P energy: -99.648 bonds (distance) P-C4' energy: -104.154 flat angles C4'-P-C4' energy: -101.286 flat angles P-C4'-P energy: -45.192 tors. eta vs tors. theta energy: -53.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -652.594853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.594853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.594853 (E_RNA) where: Base-Base interactions energy: -320.084 where: short stacking energy: -190.703 Base-Backbone interact. energy: -1.629 local terms energy: -330.881629 where: bonds (distance) C4'-P energy: -83.622 bonds (distance) P-C4' energy: -107.430 flat angles C4'-P-C4' energy: -87.682 flat angles P-C4'-P energy: -56.209 tors. eta vs tors. theta energy: 4.061 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: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -494.880106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.880106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.880106 (E_RNA) where: Base-Base interactions energy: -195.215 where: short stacking energy: -142.044 Base-Backbone interact. energy: 2.378 local terms energy: -302.043369 where: bonds (distance) C4'-P energy: -95.230 bonds (distance) P-C4' energy: -90.674 flat angles C4'-P-C4' energy: -76.843 flat angles P-C4'-P energy: -51.498 tors. eta vs tors. theta energy: 12.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2035.252139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.252139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.252139 (E_RNA) where: Base-Base interactions energy: -1394.947 where: short stacking energy: -587.703 Base-Backbone interact. energy: -3.072 local terms energy: -637.232673 where: bonds (distance) C4'-P energy: -124.341 bonds (distance) P-C4' energy: -119.578 flat angles C4'-P-C4' energy: -123.504 flat angles P-C4'-P energy: -84.502 tors. eta vs tors. theta energy: -185.308 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: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1970.316715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.316715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.316715 (E_RNA) where: Base-Base interactions energy: -1345.139 where: short stacking energy: -590.772 Base-Backbone interact. energy: -1.444 local terms energy: -623.733426 where: bonds (distance) C4'-P energy: -113.403 bonds (distance) P-C4' energy: -124.247 flat angles C4'-P-C4' energy: -125.097 flat angles P-C4'-P energy: -82.607 tors. eta vs tors. theta energy: -178.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1858.889858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.889858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.889858 (E_RNA) where: Base-Base interactions energy: -1296.898 where: short stacking energy: -563.904 Base-Backbone interact. energy: -5.331 local terms energy: -556.660773 where: bonds (distance) C4'-P energy: -96.641 bonds (distance) P-C4' energy: -101.374 flat angles C4'-P-C4' energy: -128.139 flat angles P-C4'-P energy: -74.895 tors. eta vs tors. theta energy: -155.611 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: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1718.601615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.601615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.601615 (E_RNA) where: Base-Base interactions energy: -1165.246 where: short stacking energy: -519.617 Base-Backbone interact. energy: -0.983 local terms energy: -552.371692 where: bonds (distance) C4'-P energy: -94.207 bonds (distance) P-C4' energy: -110.602 flat angles C4'-P-C4' energy: -122.057 flat angles P-C4'-P energy: -80.503 tors. eta vs tors. theta energy: -145.003 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: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1680.279603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.279603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.279603 (E_RNA) where: Base-Base interactions energy: -1139.149 where: short stacking energy: -488.016 Base-Backbone interact. energy: 0.288 local terms energy: -541.418047 where: bonds (distance) C4'-P energy: -111.580 bonds (distance) P-C4' energy: -103.337 flat angles C4'-P-C4' energy: -117.311 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: -136.658 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: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1535.828226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.828226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.828226 (E_RNA) where: Base-Base interactions energy: -1060.177 where: short stacking energy: -457.013 Base-Backbone interact. energy: -0.983 local terms energy: -474.667503 where: bonds (distance) C4'-P energy: -100.137 bonds (distance) P-C4' energy: -88.130 flat angles C4'-P-C4' energy: -101.000 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -128.449 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: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1362.876012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.876012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.876012 (E_RNA) where: Base-Base interactions energy: -888.673 where: short stacking energy: -396.474 Base-Backbone interact. energy: -2.195 local terms energy: -472.008644 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -97.280 flat angles C4'-P-C4' energy: -111.967 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -106.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1045.815619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.815619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.815619 (E_RNA) where: Base-Base interactions energy: -651.387 where: short stacking energy: -296.650 Base-Backbone interact. energy: -2.114 local terms energy: -392.314377 where: bonds (distance) C4'-P energy: -98.069 bonds (distance) P-C4' energy: -93.251 flat angles C4'-P-C4' energy: -87.518 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: -55.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -648.791394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.791394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.791394 (E_RNA) where: Base-Base interactions energy: -304.631 where: short stacking energy: -184.502 Base-Backbone interact. energy: -1.093 local terms energy: -343.068189 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -95.724 flat angles C4'-P-C4' energy: -90.578 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -5.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -523.888763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.888763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.888763 (E_RNA) where: Base-Base interactions energy: -229.164 where: short stacking energy: -141.321 Base-Backbone interact. energy: 2.534 local terms energy: -297.259119 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -105.630 flat angles C4'-P-C4' energy: -70.900 flat angles P-C4'-P energy: -61.606 tors. eta vs tors. theta energy: 10.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2039.269384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.269384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.269384 (E_RNA) where: Base-Base interactions energy: -1397.491 where: short stacking energy: -608.393 Base-Backbone interact. energy: 1.506 local terms energy: -643.284157 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -124.896 flat angles C4'-P-C4' energy: -130.366 flat angles P-C4'-P energy: -90.685 tors. eta vs tors. theta energy: -184.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1936.631416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.631416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.631416 (E_RNA) where: Base-Base interactions energy: -1305.264 where: short stacking energy: -566.250 Base-Backbone interact. energy: -2.263 local terms energy: -629.104611 where: bonds (distance) C4'-P energy: -116.883 bonds (distance) P-C4' energy: -113.140 flat angles C4'-P-C4' energy: -140.721 flat angles P-C4'-P energy: -85.895 tors. eta vs tors. theta energy: -172.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1879.423198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.423198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.423198 (E_RNA) where: Base-Base interactions energy: -1292.222 where: short stacking energy: -549.647 Base-Backbone interact. energy: -6.616 local terms energy: -580.584649 where: bonds (distance) C4'-P energy: -109.221 bonds (distance) P-C4' energy: -103.795 flat angles C4'-P-C4' energy: -123.395 flat angles P-C4'-P energy: -81.422 tors. eta vs tors. theta energy: -162.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1723.601416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.601416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.601416 (E_RNA) where: Base-Base interactions energy: -1177.733 where: short stacking energy: -492.687 Base-Backbone interact. energy: -4.071 local terms energy: -541.797713 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -114.137 flat angles C4'-P-C4' energy: -115.996 flat angles P-C4'-P energy: -77.421 tors. eta vs tors. theta energy: -130.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1685.895516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.895516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.895516 (E_RNA) where: Base-Base interactions energy: -1134.285 where: short stacking energy: -487.937 Base-Backbone interact. energy: -1.174 local terms energy: -550.437161 where: bonds (distance) C4'-P energy: -116.991 bonds (distance) P-C4' energy: -101.749 flat angles C4'-P-C4' energy: -124.333 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -146.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1493.941996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.941996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.941996 (E_RNA) where: Base-Base interactions energy: -972.573 where: short stacking energy: -433.521 Base-Backbone interact. energy: 0.350 local terms energy: -521.719541 where: bonds (distance) C4'-P energy: -104.677 bonds (distance) P-C4' energy: -119.964 flat angles C4'-P-C4' energy: -115.264 flat angles P-C4'-P energy: -70.168 tors. eta vs tors. theta energy: -111.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1358.765522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.765522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.765522 (E_RNA) where: Base-Base interactions energy: -922.789 where: short stacking energy: -400.553 Base-Backbone interact. energy: 1.716 local terms energy: -437.692018 where: bonds (distance) C4'-P energy: -94.931 bonds (distance) P-C4' energy: -88.439 flat angles C4'-P-C4' energy: -90.842 flat angles P-C4'-P energy: -72.840 tors. eta vs tors. theta energy: -90.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1019.927474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.927474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.927474 (E_RNA) where: Base-Base interactions energy: -604.589 where: short stacking energy: -273.422 Base-Backbone interact. energy: 0.236 local terms energy: -415.573983 where: bonds (distance) C4'-P energy: -89.996 bonds (distance) P-C4' energy: -108.080 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -59.956 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: 4 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -669.801558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.801558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.801558 (E_RNA) where: Base-Base interactions energy: -330.036 where: short stacking energy: -220.798 Base-Backbone interact. energy: -0.337 local terms energy: -339.429073 where: bonds (distance) C4'-P energy: -87.529 bonds (distance) P-C4' energy: -91.844 flat angles C4'-P-C4' energy: -81.451 flat angles P-C4'-P energy: -52.526 tors. eta vs tors. theta energy: -26.080 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: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -487.303403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.303403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.303403 (E_RNA) where: Base-Base interactions energy: -180.882 where: short stacking energy: -154.132 Base-Backbone interact. energy: -4.343 local terms energy: -302.078138 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -94.166 flat angles C4'-P-C4' energy: -77.047 flat angles P-C4'-P energy: -55.333 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: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2021.549892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.549892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.549892 (E_RNA) where: Base-Base interactions energy: -1386.336 where: short stacking energy: -608.443 Base-Backbone interact. energy: 0.274 local terms energy: -635.488190 where: bonds (distance) C4'-P energy: -106.597 bonds (distance) P-C4' energy: -110.963 flat angles C4'-P-C4' energy: -144.023 flat angles P-C4'-P energy: -91.764 tors. eta vs tors. theta energy: -182.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1957.554649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.554649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.554649 (E_RNA) where: Base-Base interactions energy: -1340.738 where: short stacking energy: -582.165 Base-Backbone interact. energy: 2.798 local terms energy: -619.614406 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -113.537 flat angles C4'-P-C4' energy: -125.621 flat angles P-C4'-P energy: -90.388 tors. eta vs tors. theta energy: -171.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1868.973815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.973815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.973815 (E_RNA) where: Base-Base interactions energy: -1273.664 where: short stacking energy: -556.287 Base-Backbone interact. energy: -2.619 local terms energy: -592.691266 where: bonds (distance) C4'-P energy: -90.498 bonds (distance) P-C4' energy: -115.124 flat angles C4'-P-C4' energy: -129.520 flat angles P-C4'-P energy: -79.185 tors. eta vs tors. theta energy: -178.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1775.209063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.209063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.209063 (E_RNA) where: Base-Base interactions energy: -1230.185 where: short stacking energy: -512.126 Base-Backbone interact. energy: 0.156 local terms energy: -545.180499 where: bonds (distance) C4'-P energy: -93.344 bonds (distance) P-C4' energy: -102.151 flat angles C4'-P-C4' energy: -124.310 flat angles P-C4'-P energy: -85.487 tors. eta vs tors. theta energy: -139.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1659.819123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.819123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.819123 (E_RNA) where: Base-Base interactions energy: -1143.570 where: short stacking energy: -486.710 Base-Backbone interact. energy: -1.020 local terms energy: -515.228832 where: bonds (distance) C4'-P energy: -111.667 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -106.102 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -140.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1544.665045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.665045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.665045 (E_RNA) where: Base-Base interactions energy: -1031.300 where: short stacking energy: -436.360 Base-Backbone interact. energy: -1.930 local terms energy: -511.434531 where: bonds (distance) C4'-P energy: -105.048 bonds (distance) P-C4' energy: -92.137 flat angles C4'-P-C4' energy: -112.580 flat angles P-C4'-P energy: -84.986 tors. eta vs tors. theta energy: -116.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1302.446480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.446480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.446480 (E_RNA) where: Base-Base interactions energy: -847.700 where: short stacking energy: -409.861 Base-Backbone interact. energy: -0.206 local terms energy: -454.540067 where: bonds (distance) C4'-P energy: -91.598 bonds (distance) P-C4' energy: -101.987 flat angles C4'-P-C4' energy: -101.007 flat angles P-C4'-P energy: -71.086 tors. eta vs tors. theta energy: -88.863 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: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1031.675385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.675385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.675385 (E_RNA) where: Base-Base interactions energy: -628.321 where: short stacking energy: -278.686 Base-Backbone interact. energy: -0.957 local terms energy: -402.397401 where: bonds (distance) C4'-P energy: -98.628 bonds (distance) P-C4' energy: -106.354 flat angles C4'-P-C4' energy: -86.852 flat angles P-C4'-P energy: -66.698 tors. eta vs tors. theta energy: -43.866 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: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -644.237510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.237510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.237510 (E_RNA) where: Base-Base interactions energy: -315.863 where: short stacking energy: -177.573 Base-Backbone interact. energy: -1.067 local terms energy: -327.307429 where: bonds (distance) C4'-P energy: -88.540 bonds (distance) P-C4' energy: -108.395 flat angles C4'-P-C4' energy: -82.109 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -492.661704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.661704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.661704 (E_RNA) where: Base-Base interactions energy: -202.849 where: short stacking energy: -143.453 Base-Backbone interact. energy: 0.635 local terms energy: -290.447722 where: bonds (distance) C4'-P energy: -88.786 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -32.885 tors. eta vs tors. theta energy: 13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2028.727236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.727236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.727236 (E_RNA) where: Base-Base interactions energy: -1364.391 where: short stacking energy: -620.633 Base-Backbone interact. energy: -0.922 local terms energy: -663.414938 where: bonds (distance) C4'-P energy: -118.506 bonds (distance) P-C4' energy: -128.290 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -102.202 tors. eta vs tors. theta energy: -179.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1966.473982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.473982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.473982 (E_RNA) where: Base-Base interactions energy: -1344.756 where: short stacking energy: -590.853 Base-Backbone interact. energy: -2.017 local terms energy: -619.701070 where: bonds (distance) C4'-P energy: -113.620 bonds (distance) P-C4' energy: -117.782 flat angles C4'-P-C4' energy: -132.657 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -173.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1870.609365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.609365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.609365 (E_RNA) where: Base-Base interactions energy: -1276.383 where: short stacking energy: -554.932 Base-Backbone interact. energy: -4.596 local terms energy: -589.629781 where: bonds (distance) C4'-P energy: -100.652 bonds (distance) P-C4' energy: -113.070 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -166.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1768.923562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.923562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.923562 (E_RNA) where: Base-Base interactions energy: -1231.734 where: short stacking energy: -509.424 Base-Backbone interact. energy: 0.196 local terms energy: -537.385448 where: bonds (distance) C4'-P energy: -110.012 bonds (distance) P-C4' energy: -101.937 flat angles C4'-P-C4' energy: -106.434 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -141.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1733.875261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.875261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.875261 (E_RNA) where: Base-Base interactions energy: -1161.867 where: short stacking energy: -505.471 Base-Backbone interact. energy: -3.608 local terms energy: -568.399918 where: bonds (distance) C4'-P energy: -100.220 bonds (distance) P-C4' energy: -107.320 flat angles C4'-P-C4' energy: -128.203 flat angles P-C4'-P energy: -84.048 tors. eta vs tors. theta energy: -148.608 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: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1533.907805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.907805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.907805 (E_RNA) where: Base-Base interactions energy: -1047.604 where: short stacking energy: -446.289 Base-Backbone interact. energy: 1.702 local terms energy: -488.006064 where: bonds (distance) C4'-P energy: -82.817 bonds (distance) P-C4' energy: -107.542 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -65.480 tors. eta vs tors. theta energy: -118.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1318.854225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.854225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.854225 (E_RNA) where: Base-Base interactions energy: -859.162 where: short stacking energy: -370.158 Base-Backbone interact. energy: 2.047 local terms energy: -461.739341 where: bonds (distance) C4'-P energy: -99.549 bonds (distance) P-C4' energy: -105.696 flat angles C4'-P-C4' energy: -114.860 flat angles P-C4'-P energy: -52.967 tors. eta vs tors. theta energy: -88.668 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: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -980.349777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.349777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.349777 (E_RNA) where: Base-Base interactions energy: -594.000 where: short stacking energy: -279.686 Base-Backbone interact. energy: -0.452 local terms energy: -385.897457 where: bonds (distance) C4'-P energy: -94.905 bonds (distance) P-C4' energy: -100.026 flat angles C4'-P-C4' energy: -105.424 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -28.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -631.387081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.387081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.387081 (E_RNA) where: Base-Base interactions energy: -299.755 where: short stacking energy: -172.455 Base-Backbone interact. energy: 5.661 local terms energy: -337.292961 where: bonds (distance) C4'-P energy: -100.971 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -79.229 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: 6.301 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: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -506.549189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.549189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.549189 (E_RNA) where: Base-Base interactions energy: -199.769 where: short stacking energy: -122.391 Base-Backbone interact. energy: 1.927 local terms energy: -308.706963 where: bonds (distance) C4'-P energy: -91.357 bonds (distance) P-C4' energy: -90.601 flat angles C4'-P-C4' energy: -77.574 flat angles P-C4'-P energy: -61.715 tors. eta vs tors. theta energy: 12.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2033.806827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.806827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.806827 (E_RNA) where: Base-Base interactions energy: -1410.925 where: short stacking energy: -614.824 Base-Backbone interact. energy: -2.603 local terms energy: -620.278573 where: bonds (distance) C4'-P energy: -110.173 bonds (distance) P-C4' energy: -111.621 flat angles C4'-P-C4' energy: -129.774 flat angles P-C4'-P energy: -80.307 tors. eta vs tors. theta energy: -188.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1964.001367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.001367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.001367 (E_RNA) where: Base-Base interactions energy: -1353.223 where: short stacking energy: -574.884 Base-Backbone interact. energy: -2.435 local terms energy: -608.343472 where: bonds (distance) C4'-P energy: -106.229 bonds (distance) P-C4' energy: -107.185 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -84.170 tors. eta vs tors. theta energy: -171.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1843.992683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.992683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.992683 (E_RNA) where: Base-Base interactions energy: -1243.896 where: short stacking energy: -583.121 Base-Backbone interact. energy: -3.842 local terms energy: -596.254253 where: bonds (distance) C4'-P energy: -113.960 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -136.236 flat angles P-C4'-P energy: -87.917 tors. eta vs tors. theta energy: -174.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1743.906743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.906743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.906743 (E_RNA) where: Base-Base interactions energy: -1173.819 where: short stacking energy: -484.475 Base-Backbone interact. energy: -1.647 local terms energy: -568.440753 where: bonds (distance) C4'-P energy: -114.032 bonds (distance) P-C4' energy: -114.008 flat angles C4'-P-C4' energy: -116.001 flat angles P-C4'-P energy: -81.748 tors. eta vs tors. theta energy: -142.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1725.445761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.445761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.445761 (E_RNA) where: Base-Base interactions energy: -1191.893 where: short stacking energy: -529.319 Base-Backbone interact. energy: -2.836 local terms energy: -530.716451 where: bonds (distance) C4'-P energy: -96.375 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -116.258 flat angles P-C4'-P energy: -78.863 tors. eta vs tors. theta energy: -144.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1534.251307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.251307 (E_RNA) where: Base-Base interactions energy: -1038.296 where: short stacking energy: -448.820 Base-Backbone interact. energy: 0.315 local terms energy: -496.270350 where: bonds (distance) C4'-P energy: -92.103 bonds (distance) P-C4' energy: -97.441 flat angles C4'-P-C4' energy: -105.930 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -125.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1342.306816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.306816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.306816 (E_RNA) where: Base-Base interactions energy: -893.177 where: short stacking energy: -415.767 Base-Backbone interact. energy: -0.808 local terms energy: -448.321710 where: bonds (distance) C4'-P energy: -83.277 bonds (distance) P-C4' energy: -95.193 flat angles C4'-P-C4' energy: -107.100 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -100.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -984.506916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.506916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.506916 (E_RNA) where: Base-Base interactions energy: -562.023 where: short stacking energy: -284.309 Base-Backbone interact. energy: -3.504 local terms energy: -418.979697 where: bonds (distance) C4'-P energy: -100.324 bonds (distance) P-C4' energy: -101.734 flat angles C4'-P-C4' energy: -97.789 flat angles P-C4'-P energy: -66.974 tors. eta vs tors. theta energy: -52.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -593.171858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.171858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.171858 (E_RNA) where: Base-Base interactions energy: -246.725 where: short stacking energy: -167.162 Base-Backbone interact. energy: -0.842 local terms energy: -345.604761 where: bonds (distance) C4'-P energy: -87.482 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -91.217 flat angles P-C4'-P energy: -57.817 tors. eta vs tors. theta energy: -8.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -536.334044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.334044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.334044 (E_RNA) where: Base-Base interactions energy: -223.336 where: short stacking energy: -154.278 Base-Backbone interact. energy: -0.795 local terms energy: -312.202738 where: bonds (distance) C4'-P energy: -85.495 bonds (distance) P-C4' energy: -101.684 flat angles C4'-P-C4' energy: -86.837 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: 3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2036.576607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.576607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.576607 (E_RNA) where: Base-Base interactions energy: -1391.641 where: short stacking energy: -622.923 Base-Backbone interact. energy: -1.660 local terms energy: -643.275655 where: bonds (distance) C4'-P energy: -127.195 bonds (distance) P-C4' energy: -120.923 flat angles C4'-P-C4' energy: -130.729 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -177.854 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: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1964.716249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.716249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.716249 (E_RNA) where: Base-Base interactions energy: -1343.887 where: short stacking energy: -587.640 Base-Backbone interact. energy: -2.984 local terms energy: -617.844373 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -110.750 flat angles C4'-P-C4' energy: -133.415 flat angles P-C4'-P energy: -87.851 tors. eta vs tors. theta energy: -180.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1839.754036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.754036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.754036 (E_RNA) where: Base-Base interactions energy: -1231.783 where: short stacking energy: -534.762 Base-Backbone interact. energy: -1.961 local terms energy: -606.010253 where: bonds (distance) C4'-P energy: -107.846 bonds (distance) P-C4' energy: -115.594 flat angles C4'-P-C4' energy: -124.868 flat angles P-C4'-P energy: -88.745 tors. eta vs tors. theta energy: -168.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1759.169765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.169765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.169765 (E_RNA) where: Base-Base interactions energy: -1213.184 where: short stacking energy: -524.424 Base-Backbone interact. energy: -2.479 local terms energy: -543.506104 where: bonds (distance) C4'-P energy: -95.205 bonds (distance) P-C4' energy: -114.778 flat angles C4'-P-C4' energy: -117.899 flat angles P-C4'-P energy: -88.469 tors. eta vs tors. theta energy: -127.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1691.026838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.026838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.026838 (E_RNA) where: Base-Base interactions energy: -1157.321 where: short stacking energy: -503.752 Base-Backbone interact. energy: -0.898 local terms energy: -532.808260 where: bonds (distance) C4'-P energy: -94.559 bonds (distance) P-C4' energy: -110.097 flat angles C4'-P-C4' energy: -103.211 flat angles P-C4'-P energy: -83.616 tors. eta vs tors. theta energy: -141.325 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: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1521.230721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.230721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.230721 (E_RNA) where: Base-Base interactions energy: -1041.559 where: short stacking energy: -417.654 Base-Backbone interact. energy: -0.792 local terms energy: -478.880080 where: bonds (distance) C4'-P energy: -94.778 bonds (distance) P-C4' energy: -96.343 flat angles C4'-P-C4' energy: -117.923 flat angles P-C4'-P energy: -64.693 tors. eta vs tors. theta energy: -105.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1356.116462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.116462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.116462 (E_RNA) where: Base-Base interactions energy: -880.004 where: short stacking energy: -394.086 Base-Backbone interact. energy: -0.217 local terms energy: -475.894875 where: bonds (distance) C4'-P energy: -100.964 bonds (distance) P-C4' energy: -106.902 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -61.580 tors. eta vs tors. theta energy: -93.710 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -951.153947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.153947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.153947 (E_RNA) where: Base-Base interactions energy: -578.011 where: short stacking energy: -277.425 Base-Backbone interact. energy: 0.039 local terms energy: -373.182490 where: bonds (distance) C4'-P energy: -99.148 bonds (distance) P-C4' energy: -95.118 flat angles C4'-P-C4' energy: -83.929 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: -50.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -624.542632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.542632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.542632 (E_RNA) where: Base-Base interactions energy: -280.169 where: short stacking energy: -198.495 Base-Backbone interact. energy: 3.578 local terms energy: -347.952336 where: bonds (distance) C4'-P energy: -103.680 bonds (distance) P-C4' energy: -108.804 flat angles C4'-P-C4' energy: -66.106 flat angles P-C4'-P energy: -54.560 tors. eta vs tors. theta energy: -14.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -554.096111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.096111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.096111 (E_RNA) where: Base-Base interactions energy: -263.286 where: short stacking energy: -161.453 Base-Backbone interact. energy: 0.366 local terms energy: -291.176850 where: bonds (distance) C4'-P energy: -103.815 bonds (distance) P-C4' energy: -90.280 flat angles C4'-P-C4' energy: -51.350 flat angles P-C4'-P energy: -55.779 tors. eta vs tors. theta energy: 10.047 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: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2019.602434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.602434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.602434 (E_RNA) where: Base-Base interactions energy: -1388.171 where: short stacking energy: -626.420 Base-Backbone interact. energy: -5.358 local terms energy: -626.073343 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -119.169 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -86.698 tors. eta vs tors. theta energy: -180.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1998.348242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.348242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.348242 (E_RNA) where: Base-Base interactions energy: -1363.357 where: short stacking energy: -611.251 Base-Backbone interact. energy: -2.630 local terms energy: -632.361013 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -114.708 flat angles C4'-P-C4' energy: -134.226 flat angles P-C4'-P energy: -92.965 tors. eta vs tors. theta energy: -182.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1846.661917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.661917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.661917 (E_RNA) where: Base-Base interactions energy: -1261.393 where: short stacking energy: -552.480 Base-Backbone interact. energy: -5.362 local terms energy: -579.906463 where: bonds (distance) C4'-P energy: -107.884 bonds (distance) P-C4' energy: -108.973 flat angles C4'-P-C4' energy: -122.940 flat angles P-C4'-P energy: -77.801 tors. eta vs tors. theta energy: -162.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1747.753317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.753317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.753317 (E_RNA) where: Base-Base interactions energy: -1196.427 where: short stacking energy: -545.256 Base-Backbone interact. energy: -3.378 local terms energy: -547.948435 where: bonds (distance) C4'-P energy: -103.407 bonds (distance) P-C4' energy: -105.382 flat angles C4'-P-C4' energy: -118.516 flat angles P-C4'-P energy: -74.849 tors. eta vs tors. theta energy: -145.795 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: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1690.282862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.282862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.282862 (E_RNA) where: Base-Base interactions energy: -1145.574 where: short stacking energy: -479.526 Base-Backbone interact. energy: -3.264 local terms energy: -541.444994 where: bonds (distance) C4'-P energy: -95.606 bonds (distance) P-C4' energy: -106.658 flat angles C4'-P-C4' energy: -110.801 flat angles P-C4'-P energy: -90.872 tors. eta vs tors. theta energy: -137.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1567.450155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.450155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.450155 (E_RNA) where: Base-Base interactions energy: -1026.790 where: short stacking energy: -446.614 Base-Backbone interact. energy: -2.248 local terms energy: -538.412185 where: bonds (distance) C4'-P energy: -96.597 bonds (distance) P-C4' energy: -121.581 flat angles C4'-P-C4' energy: -125.428 flat angles P-C4'-P energy: -75.780 tors. eta vs tors. theta energy: -119.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1328.567708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.567708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.567708 (E_RNA) where: Base-Base interactions energy: -879.083 where: short stacking energy: -382.445 Base-Backbone interact. energy: -0.136 local terms energy: -449.348773 where: bonds (distance) C4'-P energy: -85.029 bonds (distance) P-C4' energy: -108.151 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: -85.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -975.453477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.453477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.453477 (E_RNA) where: Base-Base interactions energy: -601.169 where: short stacking energy: -280.480 Base-Backbone interact. energy: -0.961 local terms energy: -373.323288 where: bonds (distance) C4'-P energy: -90.644 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -94.250 flat angles P-C4'-P energy: -53.837 tors. eta vs tors. theta energy: -43.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -612.901149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.901149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.901149 (E_RNA) where: Base-Base interactions energy: -266.301 where: short stacking energy: -166.493 Base-Backbone interact. energy: -0.370 local terms energy: -346.229655 where: bonds (distance) C4'-P energy: -91.517 bonds (distance) P-C4' energy: -99.114 flat angles C4'-P-C4' energy: -84.296 flat angles P-C4'-P energy: -57.554 tors. eta vs tors. theta energy: -13.749 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: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -555.670865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.670865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.670865 (E_RNA) where: Base-Base interactions energy: -228.944 where: short stacking energy: -148.814 Base-Backbone interact. energy: -1.439 local terms energy: -325.287247 where: bonds (distance) C4'-P energy: -89.460 bonds (distance) P-C4' energy: -92.966 flat angles C4'-P-C4' energy: -93.541 flat angles P-C4'-P energy: -53.153 tors. eta vs tors. theta energy: 3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2004.727890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.727890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.727890 (E_RNA) where: Base-Base interactions energy: -1377.434 where: short stacking energy: -608.848 Base-Backbone interact. energy: -2.050 local terms energy: -625.244289 where: bonds (distance) C4'-P energy: -110.149 bonds (distance) P-C4' energy: -106.969 flat angles C4'-P-C4' energy: -129.114 flat angles P-C4'-P energy: -97.322 tors. eta vs tors. theta energy: -181.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1977.617754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.617754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.617754 (E_RNA) where: Base-Base interactions energy: -1353.254 where: short stacking energy: -595.655 Base-Backbone interact. energy: -3.007 local terms energy: -621.356672 where: bonds (distance) C4'-P energy: -114.744 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -138.698 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -172.181 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: 405 Temperature: 1.000000 Total energy: -1832.176480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.176480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.176480 (E_RNA) where: Base-Base interactions energy: -1229.931 where: short stacking energy: -538.231 Base-Backbone interact. energy: -4.645 local terms energy: -597.599959 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -113.624 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -78.192 tors. eta vs tors. theta energy: -154.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1775.379157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.379157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.379157 (E_RNA) where: Base-Base interactions energy: -1222.418 where: short stacking energy: -520.725 Base-Backbone interact. energy: -2.843 local terms energy: -550.118238 where: bonds (distance) C4'-P energy: -103.504 bonds (distance) P-C4' energy: -101.808 flat angles C4'-P-C4' energy: -116.367 flat angles P-C4'-P energy: -75.603 tors. eta vs tors. theta energy: -152.836 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: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1656.409833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.409833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.409833 (E_RNA) where: Base-Base interactions energy: -1145.884 where: short stacking energy: -490.442 Base-Backbone interact. energy: -2.127 local terms energy: -508.398114 where: bonds (distance) C4'-P energy: -85.233 bonds (distance) P-C4' energy: -93.368 flat angles C4'-P-C4' energy: -122.337 flat angles P-C4'-P energy: -63.435 tors. eta vs tors. theta energy: -144.026 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: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1529.008888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.008888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.008888 (E_RNA) where: Base-Base interactions energy: -1015.658 where: short stacking energy: -428.936 Base-Backbone interact. energy: -2.755 local terms energy: -510.596151 where: bonds (distance) C4'-P energy: -92.409 bonds (distance) P-C4' energy: -101.706 flat angles C4'-P-C4' energy: -124.218 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -119.499 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: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1378.360413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.360413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.360413 (E_RNA) where: Base-Base interactions energy: -903.678 where: short stacking energy: -375.687 Base-Backbone interact. energy: -1.934 local terms energy: -472.747987 where: bonds (distance) C4'-P energy: -96.294 bonds (distance) P-C4' energy: -102.592 flat angles C4'-P-C4' energy: -122.318 flat angles P-C4'-P energy: -58.661 tors. eta vs tors. theta energy: -92.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1007.011776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.011776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.011776 (E_RNA) where: Base-Base interactions energy: -604.872 where: short stacking energy: -275.895 Base-Backbone interact. energy: -1.598 local terms energy: -400.541228 where: bonds (distance) C4'-P energy: -117.213 bonds (distance) P-C4' energy: -96.382 flat angles C4'-P-C4' energy: -91.325 flat angles P-C4'-P energy: -56.669 tors. eta vs tors. theta energy: -38.953 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: 4 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -607.629638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.629638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.629638 (E_RNA) where: Base-Base interactions energy: -273.135 where: short stacking energy: -178.390 Base-Backbone interact. energy: -0.584 local terms energy: -333.910548 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -101.157 flat angles C4'-P-C4' energy: -87.361 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -553.641566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.641566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.641566 (E_RNA) where: Base-Base interactions energy: -247.428 where: short stacking energy: -149.698 Base-Backbone interact. energy: -1.856 local terms energy: -304.358260 where: bonds (distance) C4'-P energy: -86.206 bonds (distance) P-C4' energy: -93.461 flat angles C4'-P-C4' energy: -76.031 flat angles P-C4'-P energy: -54.439 tors. eta vs tors. theta energy: 5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2023.021405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.021405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.021405 (E_RNA) where: Base-Base interactions energy: -1397.584 where: short stacking energy: -617.866 Base-Backbone interact. energy: -2.060 local terms energy: -623.377411 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -121.493 flat angles C4'-P-C4' energy: -139.050 flat angles P-C4'-P energy: -91.281 tors. eta vs tors. theta energy: -180.676 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: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1979.776999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.776999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.776999 (E_RNA) where: Base-Base interactions energy: -1370.591 where: short stacking energy: -619.989 Base-Backbone interact. energy: -1.622 local terms energy: -607.564245 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -95.682 flat angles C4'-P-C4' energy: -133.355 flat angles P-C4'-P energy: -87.704 tors. eta vs tors. theta energy: -187.655 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: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1845.602425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.602425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.602425 (E_RNA) where: Base-Base interactions energy: -1243.620 where: short stacking energy: -531.191 Base-Backbone interact. energy: -3.956 local terms energy: -598.026701 where: bonds (distance) C4'-P energy: -98.264 bonds (distance) P-C4' energy: -118.648 flat angles C4'-P-C4' energy: -122.421 flat angles P-C4'-P energy: -92.543 tors. eta vs tors. theta energy: -166.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1777.691001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.691001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.691001 (E_RNA) where: Base-Base interactions energy: -1217.291 where: short stacking energy: -525.495 Base-Backbone interact. energy: -1.975 local terms energy: -558.424879 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -108.079 flat angles C4'-P-C4' energy: -115.110 flat angles P-C4'-P energy: -85.578 tors. eta vs tors. theta energy: -144.328 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: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1709.947888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.947888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.947888 (E_RNA) where: Base-Base interactions energy: -1156.326 where: short stacking energy: -521.297 Base-Backbone interact. energy: -0.515 local terms energy: -553.107005 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -120.155 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -149.183 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: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1565.557622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.557622 (E_RNA) where: Base-Base interactions energy: -1059.163 where: short stacking energy: -463.444 Base-Backbone interact. energy: -4.089 local terms energy: -502.305354 where: bonds (distance) C4'-P energy: -96.608 bonds (distance) P-C4' energy: -106.270 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -84.199 tors. eta vs tors. theta energy: -116.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1403.723126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.723126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.723126 (E_RNA) where: Base-Base interactions energy: -917.549 where: short stacking energy: -424.881 Base-Backbone interact. energy: -0.835 local terms energy: -485.339376 where: bonds (distance) C4'-P energy: -105.703 bonds (distance) P-C4' energy: -106.342 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -63.101 tors. eta vs tors. theta energy: -112.239 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: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -998.099428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.099428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.099428 (E_RNA) where: Base-Base interactions energy: -610.341 where: short stacking energy: -282.809 Base-Backbone interact. energy: 3.469 local terms energy: -391.227924 where: bonds (distance) C4'-P energy: -93.919 bonds (distance) P-C4' energy: -98.967 flat angles C4'-P-C4' energy: -96.304 flat angles P-C4'-P energy: -55.968 tors. eta vs tors. theta energy: -46.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -598.173057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.173057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.173057 (E_RNA) where: Base-Base interactions energy: -269.953 where: short stacking energy: -160.216 Base-Backbone interact. energy: 1.245 local terms energy: -329.464514 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -114.169 flat angles C4'-P-C4' energy: -92.476 flat angles P-C4'-P energy: -40.305 tors. eta vs tors. theta energy: 7.370 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: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -518.825717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.825717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.825717 (E_RNA) where: Base-Base interactions energy: -231.836 where: short stacking energy: -151.083 Base-Backbone interact. energy: 6.979 local terms energy: -293.969097 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -88.062 flat angles C4'-P-C4' energy: -87.964 flat angles P-C4'-P energy: -43.909 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: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2030.658731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.658731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.658731 (E_RNA) where: Base-Base interactions energy: -1377.673 where: short stacking energy: -614.036 Base-Backbone interact. energy: -2.931 local terms energy: -650.054693 where: bonds (distance) C4'-P energy: -113.280 bonds (distance) P-C4' energy: -129.661 flat angles C4'-P-C4' energy: -132.409 flat angles P-C4'-P energy: -91.991 tors. eta vs tors. theta energy: -182.713 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: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1991.438857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.438857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.438857 (E_RNA) where: Base-Base interactions energy: -1359.854 where: short stacking energy: -616.510 Base-Backbone interact. energy: -1.079 local terms energy: -630.506235 where: bonds (distance) C4'-P energy: -108.737 bonds (distance) P-C4' energy: -116.406 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -87.015 tors. eta vs tors. theta energy: -188.297 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: 407 Temperature: 1.000000 Total energy: -1794.559168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.559168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.559168 (E_RNA) where: Base-Base interactions energy: -1245.113 where: short stacking energy: -524.813 Base-Backbone interact. energy: -3.784 local terms energy: -545.663128 where: bonds (distance) C4'-P energy: -89.071 bonds (distance) P-C4' energy: -101.327 flat angles C4'-P-C4' energy: -116.894 flat angles P-C4'-P energy: -92.369 tors. eta vs tors. theta energy: -146.003 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: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1756.778953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.778953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.778953 (E_RNA) where: Base-Base interactions energy: -1217.371 where: short stacking energy: -532.715 Base-Backbone interact. energy: 2.625 local terms energy: -542.033579 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -105.960 flat angles C4'-P-C4' energy: -123.790 flat angles P-C4'-P energy: -64.651 tors. eta vs tors. theta energy: -136.648 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: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1679.202417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.202417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.202417 (E_RNA) where: Base-Base interactions energy: -1133.049 where: short stacking energy: -479.473 Base-Backbone interact. energy: 1.633 local terms energy: -547.786604 where: bonds (distance) C4'-P energy: -114.582 bonds (distance) P-C4' energy: -107.923 flat angles C4'-P-C4' energy: -118.267 flat angles P-C4'-P energy: -73.993 tors. eta vs tors. theta energy: -133.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1526.687525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.687525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.687525 (E_RNA) where: Base-Base interactions energy: -1027.045 where: short stacking energy: -448.308 Base-Backbone interact. energy: -1.959 local terms energy: -497.683419 where: bonds (distance) C4'-P energy: -98.086 bonds (distance) P-C4' energy: -92.977 flat angles C4'-P-C4' energy: -104.009 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -119.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1330.426634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.426634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.426634 (E_RNA) where: Base-Base interactions energy: -885.098 where: short stacking energy: -394.042 Base-Backbone interact. energy: -1.743 local terms energy: -443.585915 where: bonds (distance) C4'-P energy: -92.551 bonds (distance) P-C4' energy: -89.263 flat angles C4'-P-C4' energy: -116.068 flat angles P-C4'-P energy: -58.387 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: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -998.546343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.546343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.546343 (E_RNA) where: Base-Base interactions energy: -593.712 where: short stacking energy: -282.232 Base-Backbone interact. energy: -0.739 local terms energy: -404.095402 where: bonds (distance) C4'-P energy: -104.581 bonds (distance) P-C4' energy: -101.342 flat angles C4'-P-C4' energy: -82.242 flat angles P-C4'-P energy: -58.187 tors. eta vs tors. theta energy: -57.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -650.822178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.822178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.822178 (E_RNA) where: Base-Base interactions energy: -332.629 where: short stacking energy: -211.339 Base-Backbone interact. energy: 0.927 local terms energy: -319.120409 where: bonds (distance) C4'-P energy: -96.028 bonds (distance) P-C4' energy: -90.039 flat angles C4'-P-C4' energy: -92.745 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -520.076380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.076380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.076380 (E_RNA) where: Base-Base interactions energy: -198.003 where: short stacking energy: -151.170 Base-Backbone interact. energy: 0.678 local terms energy: -322.751731 where: bonds (distance) C4'-P energy: -99.036 bonds (distance) P-C4' energy: -102.956 flat angles C4'-P-C4' energy: -83.801 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: 11.140 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: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2048.919429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.919429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.919429 (E_RNA) where: Base-Base interactions energy: -1393.964 where: short stacking energy: -624.802 Base-Backbone interact. energy: -4.355 local terms energy: -650.601186 where: bonds (distance) C4'-P energy: -116.298 bonds (distance) P-C4' energy: -116.169 flat angles C4'-P-C4' energy: -147.782 flat angles P-C4'-P energy: -81.579 tors. eta vs tors. theta energy: -188.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1979.929809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.929809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.929809 (E_RNA) where: Base-Base interactions energy: -1371.938 where: short stacking energy: -605.349 Base-Backbone interact. energy: -3.695 local terms energy: -604.296689 where: bonds (distance) C4'-P energy: -96.160 bonds (distance) P-C4' energy: -106.923 flat angles C4'-P-C4' energy: -127.721 flat angles P-C4'-P energy: -92.623 tors. eta vs tors. theta energy: -180.869 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: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1800.726597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.726597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.726597 (E_RNA) where: Base-Base interactions energy: -1233.567 where: short stacking energy: -551.325 Base-Backbone interact. energy: -2.152 local terms energy: -565.007921 where: bonds (distance) C4'-P energy: -108.271 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -115.024 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -159.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1704.981886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.981886 (E_RNA) where: Base-Base interactions energy: -1179.970 where: short stacking energy: -528.236 Base-Backbone interact. energy: -0.536 local terms energy: -524.475979 where: bonds (distance) C4'-P energy: -91.517 bonds (distance) P-C4' energy: -101.897 flat angles C4'-P-C4' energy: -118.045 flat angles P-C4'-P energy: -72.287 tors. eta vs tors. theta energy: -140.730 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: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1695.047279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.047279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.047279 (E_RNA) where: Base-Base interactions energy: -1155.253 where: short stacking energy: -485.185 Base-Backbone interact. energy: -1.362 local terms energy: -538.431836 where: bonds (distance) C4'-P energy: -104.390 bonds (distance) P-C4' energy: -106.572 flat angles C4'-P-C4' energy: -110.811 flat angles P-C4'-P energy: -81.082 tors. eta vs tors. theta energy: -135.577 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: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1494.905677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.905677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.905677 (E_RNA) where: Base-Base interactions energy: -991.991 where: short stacking energy: -409.917 Base-Backbone interact. energy: 0.642 local terms energy: -503.556044 where: bonds (distance) C4'-P energy: -107.267 bonds (distance) P-C4' energy: -104.357 flat angles C4'-P-C4' energy: -108.538 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -108.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1396.296963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.296963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.296963 (E_RNA) where: Base-Base interactions energy: -924.188 where: short stacking energy: -413.897 Base-Backbone interact. energy: -0.950 local terms energy: -471.158668 where: bonds (distance) C4'-P energy: -88.137 bonds (distance) P-C4' energy: -103.206 flat angles C4'-P-C4' energy: -98.460 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -112.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -986.087831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.087831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.087831 (E_RNA) where: Base-Base interactions energy: -584.769 where: short stacking energy: -279.485 Base-Backbone interact. energy: -1.850 local terms energy: -399.469100 where: bonds (distance) C4'-P energy: -92.119 bonds (distance) P-C4' energy: -97.038 flat angles C4'-P-C4' energy: -103.209 flat angles P-C4'-P energy: -64.158 tors. eta vs tors. theta energy: -42.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -546.556695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.556695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.556695 (E_RNA) where: Base-Base interactions energy: -239.825 where: short stacking energy: -161.315 Base-Backbone interact. energy: 2.460 local terms energy: -309.190747 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -106.633 flat angles C4'-P-C4' energy: -82.550 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: 15.158 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: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -567.902151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.902151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.902151 (E_RNA) where: Base-Base interactions energy: -254.435 where: short stacking energy: -161.711 Base-Backbone interact. energy: 0.559 local terms energy: -314.025867 where: bonds (distance) C4'-P energy: -98.373 bonds (distance) P-C4' energy: -95.499 flat angles C4'-P-C4' energy: -82.392 flat angles P-C4'-P energy: -49.713 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: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2039.153682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.153682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.153682 (E_RNA) where: Base-Base interactions energy: -1378.885 where: short stacking energy: -622.108 Base-Backbone interact. energy: 2.796 local terms energy: -663.064159 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -123.126 flat angles C4'-P-C4' energy: -136.941 flat angles P-C4'-P energy: -94.452 tors. eta vs tors. theta energy: -183.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1981.944745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.944745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.944745 (E_RNA) where: Base-Base interactions energy: -1356.025 where: short stacking energy: -589.766 Base-Backbone interact. energy: -0.701 local terms energy: -625.218752 where: bonds (distance) C4'-P energy: -106.668 bonds (distance) P-C4' energy: -123.065 flat angles C4'-P-C4' energy: -125.594 flat angles P-C4'-P energy: -95.823 tors. eta vs tors. theta energy: -174.069 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: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1814.319524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.319524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.319524 (E_RNA) where: Base-Base interactions energy: -1234.991 where: short stacking energy: -519.676 Base-Backbone interact. energy: 1.650 local terms energy: -580.978905 where: bonds (distance) C4'-P energy: -111.291 bonds (distance) P-C4' energy: -120.081 flat angles C4'-P-C4' energy: -124.664 flat angles P-C4'-P energy: -83.435 tors. eta vs tors. theta energy: -141.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1756.050440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.050440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.050440 (E_RNA) where: Base-Base interactions energy: -1190.916 where: short stacking energy: -519.400 Base-Backbone interact. energy: -1.662 local terms energy: -563.472100 where: bonds (distance) C4'-P energy: -105.092 bonds (distance) P-C4' energy: -109.459 flat angles C4'-P-C4' energy: -121.309 flat angles P-C4'-P energy: -74.743 tors. eta vs tors. theta energy: -152.868 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: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1664.569444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.569444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.569444 (E_RNA) where: Base-Base interactions energy: -1133.991 where: short stacking energy: -467.956 Base-Backbone interact. energy: -3.346 local terms energy: -527.232191 where: bonds (distance) C4'-P energy: -98.311 bonds (distance) P-C4' energy: -95.846 flat angles C4'-P-C4' energy: -110.815 flat angles P-C4'-P energy: -92.523 tors. eta vs tors. theta energy: -129.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1529.475737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.475737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.475737 (E_RNA) where: Base-Base interactions energy: -1026.350 where: short stacking energy: -445.505 Base-Backbone interact. energy: 0.553 local terms energy: -503.678659 where: bonds (distance) C4'-P energy: -92.380 bonds (distance) P-C4' energy: -98.856 flat angles C4'-P-C4' energy: -105.104 flat angles P-C4'-P energy: -74.305 tors. eta vs tors. theta energy: -133.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1352.505849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.505849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.505849 (E_RNA) where: Base-Base interactions energy: -908.558 where: short stacking energy: -401.982 Base-Backbone interact. energy: -2.236 local terms energy: -441.711617 where: bonds (distance) C4'-P energy: -88.719 bonds (distance) P-C4' energy: -97.777 flat angles C4'-P-C4' energy: -103.448 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: -81.198 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: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -967.172015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.172015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.172015 (E_RNA) where: Base-Base interactions energy: -568.099 where: short stacking energy: -269.718 Base-Backbone interact. energy: -4.306 local terms energy: -394.767466 where: bonds (distance) C4'-P energy: -105.008 bonds (distance) P-C4' energy: -113.636 flat angles C4'-P-C4' energy: -78.782 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -44.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -558.631840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.631840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.631840 (E_RNA) where: Base-Base interactions energy: -243.554 where: short stacking energy: -164.552 Base-Backbone interact. energy: -0.851 local terms energy: -314.227415 where: bonds (distance) C4'-P energy: -99.385 bonds (distance) P-C4' energy: -100.135 flat angles C4'-P-C4' energy: -78.301 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: 9.615 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: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -576.899824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.899824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.899824 (E_RNA) where: Base-Base interactions energy: -235.881 where: short stacking energy: -147.079 Base-Backbone interact. energy: 1.972 local terms energy: -342.990216 where: bonds (distance) C4'-P energy: -101.024 bonds (distance) P-C4' energy: -101.601 flat angles C4'-P-C4' energy: -93.233 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: 4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2045.635324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.635324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.635324 (E_RNA) where: Base-Base interactions energy: -1407.721 where: short stacking energy: -619.802 Base-Backbone interact. energy: -3.122 local terms energy: -634.792538 where: bonds (distance) C4'-P energy: -127.897 bonds (distance) P-C4' energy: -113.991 flat angles C4'-P-C4' energy: -126.397 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -178.268 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: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1986.085312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.085312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.085312 (E_RNA) where: Base-Base interactions energy: -1389.473 where: short stacking energy: -572.500 Base-Backbone interact. energy: -3.121 local terms energy: -593.491470 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -108.524 flat angles C4'-P-C4' energy: -120.746 flat angles P-C4'-P energy: -88.124 tors. eta vs tors. theta energy: -172.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1797.448185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.448185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.448185 (E_RNA) where: Base-Base interactions energy: -1248.625 where: short stacking energy: -545.821 Base-Backbone interact. energy: 0.619 local terms energy: -549.441930 where: bonds (distance) C4'-P energy: -101.077 bonds (distance) P-C4' energy: -100.797 flat angles C4'-P-C4' energy: -118.242 flat angles P-C4'-P energy: -88.924 tors. eta vs tors. theta energy: -140.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1775.359307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.359307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.359307 (E_RNA) where: Base-Base interactions energy: -1205.695 where: short stacking energy: -525.382 Base-Backbone interact. energy: -5.867 local terms energy: -563.797050 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -90.884 flat angles C4'-P-C4' energy: -126.706 flat angles P-C4'-P energy: -82.437 tors. eta vs tors. theta energy: -160.810 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: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1666.137125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.137125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.137125 (E_RNA) where: Base-Base interactions energy: -1150.598 where: short stacking energy: -471.629 Base-Backbone interact. energy: 1.493 local terms energy: -517.032252 where: bonds (distance) C4'-P energy: -106.474 bonds (distance) P-C4' energy: -99.198 flat angles C4'-P-C4' energy: -110.252 flat angles P-C4'-P energy: -69.203 tors. eta vs tors. theta energy: -131.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1530.762846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.762846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.762846 (E_RNA) where: Base-Base interactions energy: -1043.190 where: short stacking energy: -451.723 Base-Backbone interact. energy: 6.376 local terms energy: -493.949125 where: bonds (distance) C4'-P energy: -113.622 bonds (distance) P-C4' energy: -89.061 flat angles C4'-P-C4' energy: -109.180 flat angles P-C4'-P energy: -71.006 tors. eta vs tors. theta energy: -111.080 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: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1339.775872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.775872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.775872 (E_RNA) where: Base-Base interactions energy: -878.432 where: short stacking energy: -375.282 Base-Backbone interact. energy: -1.942 local terms energy: -459.401767 where: bonds (distance) C4'-P energy: -91.396 bonds (distance) P-C4' energy: -97.049 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -75.471 tors. eta vs tors. theta energy: -85.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1021.022650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.022650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.022650 (E_RNA) where: Base-Base interactions energy: -619.740 where: short stacking energy: -322.661 Base-Backbone interact. energy: 1.350 local terms energy: -402.632636 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -93.144 flat angles C4'-P-C4' energy: -98.006 flat angles P-C4'-P energy: -52.167 tors. eta vs tors. theta energy: -76.705 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: 4 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -650.780951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.780951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.780951 (E_RNA) where: Base-Base interactions energy: -326.353 where: short stacking energy: -201.714 Base-Backbone interact. energy: 2.805 local terms energy: -327.232909 where: bonds (distance) C4'-P energy: -103.340 bonds (distance) P-C4' energy: -85.749 flat angles C4'-P-C4' energy: -100.739 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -0.979 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: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -478.177001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.177001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.177001 (E_RNA) where: Base-Base interactions energy: -183.371 where: short stacking energy: -119.704 Base-Backbone interact. energy: 4.873 local terms energy: -299.679041 where: bonds (distance) C4'-P energy: -92.919 bonds (distance) P-C4' energy: -96.394 flat angles C4'-P-C4' energy: -67.977 flat angles P-C4'-P energy: -56.730 tors. eta vs tors. theta energy: 14.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2034.508039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.508039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.508039 (E_RNA) where: Base-Base interactions energy: -1376.705 where: short stacking energy: -616.279 Base-Backbone interact. energy: -1.200 local terms energy: -656.603527 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -117.654 flat angles C4'-P-C4' energy: -141.959 flat angles P-C4'-P energy: -85.682 tors. eta vs tors. theta energy: -193.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1984.605717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.605717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.605717 (E_RNA) where: Base-Base interactions energy: -1359.491 where: short stacking energy: -611.450 Base-Backbone interact. energy: 0.718 local terms energy: -625.832325 where: bonds (distance) C4'-P energy: -116.635 bonds (distance) P-C4' energy: -99.142 flat angles C4'-P-C4' energy: -132.951 flat angles P-C4'-P energy: -94.252 tors. eta vs tors. theta energy: -182.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1797.019413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.019413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.019413 (E_RNA) where: Base-Base interactions energy: -1219.821 where: short stacking energy: -523.780 Base-Backbone interact. energy: -3.274 local terms energy: -573.924705 where: bonds (distance) C4'-P energy: -108.767 bonds (distance) P-C4' energy: -104.689 flat angles C4'-P-C4' energy: -125.499 flat angles P-C4'-P energy: -80.427 tors. eta vs tors. theta energy: -154.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1740.812834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.812834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.812834 (E_RNA) where: Base-Base interactions energy: -1163.934 where: short stacking energy: -501.752 Base-Backbone interact. energy: -2.749 local terms energy: -574.130559 where: bonds (distance) C4'-P energy: -122.105 bonds (distance) P-C4' energy: -106.098 flat angles C4'-P-C4' energy: -110.188 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -160.779 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: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1653.733126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.733126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.733126 (E_RNA) where: Base-Base interactions energy: -1119.974 where: short stacking energy: -484.979 Base-Backbone interact. energy: 2.822 local terms energy: -536.581260 where: bonds (distance) C4'-P energy: -99.439 bonds (distance) P-C4' energy: -104.796 flat angles C4'-P-C4' energy: -115.666 flat angles P-C4'-P energy: -76.426 tors. eta vs tors. theta energy: -140.253 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: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1567.618684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.618684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.618684 (E_RNA) where: Base-Base interactions energy: -1060.500 where: short stacking energy: -473.726 Base-Backbone interact. energy: -0.432 local terms energy: -506.686768 where: bonds (distance) C4'-P energy: -82.892 bonds (distance) P-C4' energy: -100.532 flat angles C4'-P-C4' energy: -113.599 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -133.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1344.039341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.039341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.039341 (E_RNA) where: Base-Base interactions energy: -887.561 where: short stacking energy: -387.469 Base-Backbone interact. energy: 2.499 local terms energy: -458.977348 where: bonds (distance) C4'-P energy: -86.208 bonds (distance) P-C4' energy: -95.394 flat angles C4'-P-C4' energy: -104.830 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -99.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -958.223672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.223672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.223672 (E_RNA) where: Base-Base interactions energy: -567.039 where: short stacking energy: -267.301 Base-Backbone interact. energy: -0.029 local terms energy: -391.156410 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -101.994 flat angles C4'-P-C4' energy: -90.103 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -49.525 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: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -745.303414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.303414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.303414 (E_RNA) where: Base-Base interactions energy: -396.008 where: short stacking energy: -231.570 Base-Backbone interact. energy: -0.990 local terms energy: -348.305638 where: bonds (distance) C4'-P energy: -91.885 bonds (distance) P-C4' energy: -106.137 flat angles C4'-P-C4' energy: -83.548 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: -15.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -508.095906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.095906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.095906 (E_RNA) where: Base-Base interactions energy: -234.547 where: short stacking energy: -149.998 Base-Backbone interact. energy: 5.281 local terms energy: -278.829911 where: bonds (distance) C4'-P energy: -86.968 bonds (distance) P-C4' energy: -94.762 flat angles C4'-P-C4' energy: -91.049 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: 23.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2012.743081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.743081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.743081 (E_RNA) where: Base-Base interactions energy: -1388.389 where: short stacking energy: -608.509 Base-Backbone interact. energy: 1.238 local terms energy: -625.592625 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -110.047 flat angles C4'-P-C4' energy: -133.549 flat angles P-C4'-P energy: -79.804 tors. eta vs tors. theta energy: -187.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1987.706085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.706085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.706085 (E_RNA) where: Base-Base interactions energy: -1366.137 where: short stacking energy: -599.215 Base-Backbone interact. energy: -0.164 local terms energy: -621.405134 where: bonds (distance) C4'-P energy: -117.976 bonds (distance) P-C4' energy: -115.435 flat angles C4'-P-C4' energy: -126.961 flat angles P-C4'-P energy: -90.884 tors. eta vs tors. theta energy: -170.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1820.890688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.890688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.890688 (E_RNA) where: Base-Base interactions energy: -1234.443 where: short stacking energy: -554.763 Base-Backbone interact. energy: -1.241 local terms energy: -585.206127 where: bonds (distance) C4'-P energy: -100.634 bonds (distance) P-C4' energy: -118.442 flat angles C4'-P-C4' energy: -119.899 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -162.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1767.183031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.183031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.183031 (E_RNA) where: Base-Base interactions energy: -1226.636 where: short stacking energy: -511.584 Base-Backbone interact. energy: -2.297 local terms energy: -538.250437 where: bonds (distance) C4'-P energy: -111.869 bonds (distance) P-C4' energy: -108.740 flat angles C4'-P-C4' energy: -119.030 flat angles P-C4'-P energy: -61.767 tors. eta vs tors. theta energy: -136.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1644.174274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.174274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.174274 (E_RNA) where: Base-Base interactions energy: -1094.160 where: short stacking energy: -466.908 Base-Backbone interact. energy: -1.512 local terms energy: -548.502511 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -113.321 flat angles C4'-P-C4' energy: -116.089 flat angles P-C4'-P energy: -78.740 tors. eta vs tors. theta energy: -147.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1491.498705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.498705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.498705 (E_RNA) where: Base-Base interactions energy: -1004.997 where: short stacking energy: -414.492 Base-Backbone interact. energy: -3.335 local terms energy: -483.166776 where: bonds (distance) C4'-P energy: -105.716 bonds (distance) P-C4' energy: -99.038 flat angles C4'-P-C4' energy: -104.398 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -104.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1305.550488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.550488 (E_RNA) where: Base-Base interactions energy: -837.665 where: short stacking energy: -374.609 Base-Backbone interact. energy: -0.958 local terms energy: -466.927203 where: bonds (distance) C4'-P energy: -94.571 bonds (distance) P-C4' energy: -105.045 flat angles C4'-P-C4' energy: -105.824 flat angles P-C4'-P energy: -69.100 tors. eta vs tors. theta energy: -92.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -984.006234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.006234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.006234 (E_RNA) where: Base-Base interactions energy: -604.221 where: short stacking energy: -289.679 Base-Backbone interact. energy: -0.521 local terms energy: -379.264554 where: bonds (distance) C4'-P energy: -81.291 bonds (distance) P-C4' energy: -80.397 flat angles C4'-P-C4' energy: -96.054 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -64.287 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: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -624.307392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.307392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.307392 (E_RNA) where: Base-Base interactions energy: -283.194 where: short stacking energy: -162.521 Base-Backbone interact. energy: 0.816 local terms energy: -341.929580 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -101.248 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -48.920 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -587.385278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.385278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.385278 (E_RNA) where: Base-Base interactions energy: -254.629 where: short stacking energy: -182.988 Base-Backbone interact. energy: 1.843 local terms energy: -334.598758 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -90.784 flat angles C4'-P-C4' energy: -89.124 flat angles P-C4'-P energy: -55.532 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2044.837616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.837616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.837616 (E_RNA) where: Base-Base interactions energy: -1408.825 where: short stacking energy: -610.900 Base-Backbone interact. energy: -2.432 local terms energy: -633.580916 where: bonds (distance) C4'-P energy: -99.004 bonds (distance) P-C4' energy: -119.825 flat angles C4'-P-C4' energy: -134.597 flat angles P-C4'-P energy: -90.898 tors. eta vs tors. theta energy: -189.257 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: 413 Temperature: 0.950000 Total energy: -1996.584256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.584256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.584256 (E_RNA) where: Base-Base interactions energy: -1373.518 where: short stacking energy: -606.454 Base-Backbone interact. energy: 0.447 local terms energy: -623.512820 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -115.635 flat angles C4'-P-C4' energy: -128.848 flat angles P-C4'-P energy: -86.226 tors. eta vs tors. theta energy: -173.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1845.458225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.458225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.458225 (E_RNA) where: Base-Base interactions energy: -1270.718 where: short stacking energy: -559.104 Base-Backbone interact. energy: -3.932 local terms energy: -570.808058 where: bonds (distance) C4'-P energy: -104.976 bonds (distance) P-C4' energy: -106.660 flat angles C4'-P-C4' energy: -120.279 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -163.010 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: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1736.667989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.667989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.667989 (E_RNA) where: Base-Base interactions energy: -1177.818 where: short stacking energy: -539.404 Base-Backbone interact. energy: -1.351 local terms energy: -557.499112 where: bonds (distance) C4'-P energy: -109.435 bonds (distance) P-C4' energy: -113.967 flat angles C4'-P-C4' energy: -123.656 flat angles P-C4'-P energy: -73.453 tors. eta vs tors. theta energy: -136.989 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: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1631.374751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.374751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.374751 (E_RNA) where: Base-Base interactions energy: -1088.177 where: short stacking energy: -482.332 Base-Backbone interact. energy: -2.728 local terms energy: -540.469237 where: bonds (distance) C4'-P energy: -108.369 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -116.447 flat angles P-C4'-P energy: -75.839 tors. eta vs tors. theta energy: -135.910 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: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1456.352741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.352741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.352741 (E_RNA) where: Base-Base interactions energy: -968.322 where: short stacking energy: -409.737 Base-Backbone interact. energy: -1.001 local terms energy: -487.029218 where: bonds (distance) C4'-P energy: -107.638 bonds (distance) P-C4' energy: -105.061 flat angles C4'-P-C4' energy: -112.710 flat angles P-C4'-P energy: -68.532 tors. eta vs tors. theta energy: -93.089 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: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1343.730302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.730302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.730302 (E_RNA) where: Base-Base interactions energy: -910.855 where: short stacking energy: -389.079 Base-Backbone interact. energy: -0.603 local terms energy: -432.271863 where: bonds (distance) C4'-P energy: -65.538 bonds (distance) P-C4' energy: -107.630 flat angles C4'-P-C4' energy: -105.933 flat angles P-C4'-P energy: -62.659 tors. eta vs tors. theta energy: -90.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1019.359212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.359212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.359212 (E_RNA) where: Base-Base interactions energy: -592.882 where: short stacking energy: -295.035 Base-Backbone interact. energy: 2.200 local terms energy: -428.677091 where: bonds (distance) C4'-P energy: -100.828 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -111.991 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: -63.252 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: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -588.110097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.110097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.110097 (E_RNA) where: Base-Base interactions energy: -275.849 where: short stacking energy: -162.635 Base-Backbone interact. energy: -0.335 local terms energy: -311.926406 where: bonds (distance) C4'-P energy: -92.260 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -83.493 flat angles P-C4'-P energy: -48.362 tors. eta vs tors. theta energy: 4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -520.475260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.475260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.475260 (E_RNA) where: Base-Base interactions energy: -188.909 where: short stacking energy: -131.229 Base-Backbone interact. energy: -0.538 local terms energy: -331.028550 where: bonds (distance) C4'-P energy: -94.817 bonds (distance) P-C4' energy: -117.320 flat angles C4'-P-C4' energy: -78.382 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: 9.015 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: 414 Temperature: 0.900000 Total energy: -2032.221812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.221812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.221812 (E_RNA) where: Base-Base interactions energy: -1370.483 where: short stacking energy: -615.827 Base-Backbone interact. energy: -2.544 local terms energy: -659.194971 where: bonds (distance) C4'-P energy: -117.491 bonds (distance) P-C4' energy: -121.052 flat angles C4'-P-C4' energy: -138.984 flat angles P-C4'-P energy: -96.176 tors. eta vs tors. theta energy: -185.492 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: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1971.565733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.565733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.565733 (E_RNA) where: Base-Base interactions energy: -1368.339 where: short stacking energy: -567.100 Base-Backbone interact. energy: -3.388 local terms energy: -599.839537 where: bonds (distance) C4'-P energy: -105.489 bonds (distance) P-C4' energy: -118.293 flat angles C4'-P-C4' energy: -131.469 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -163.910 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: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1838.150477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.150477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.150477 (E_RNA) where: Base-Base interactions energy: -1207.062 where: short stacking energy: -530.880 Base-Backbone interact. energy: 1.429 local terms energy: -632.517614 where: bonds (distance) C4'-P energy: -110.840 bonds (distance) P-C4' energy: -130.345 flat angles C4'-P-C4' energy: -137.954 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: -163.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1663.886745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.886745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.886745 (E_RNA) where: Base-Base interactions energy: -1126.683 where: short stacking energy: -486.837 Base-Backbone interact. energy: -2.702 local terms energy: -534.501978 where: bonds (distance) C4'-P energy: -113.776 bonds (distance) P-C4' energy: -116.625 flat angles C4'-P-C4' energy: -118.017 flat angles P-C4'-P energy: -52.934 tors. eta vs tors. theta energy: -133.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1635.328587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.328587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.328587 (E_RNA) where: Base-Base interactions energy: -1107.818 where: short stacking energy: -477.846 Base-Backbone interact. energy: 0.183 local terms energy: -527.693030 where: bonds (distance) C4'-P energy: -107.806 bonds (distance) P-C4' energy: -89.334 flat angles C4'-P-C4' energy: -117.914 flat angles P-C4'-P energy: -80.450 tors. eta vs tors. theta energy: -132.189 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: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1535.841231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.841231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.841231 (E_RNA) where: Base-Base interactions energy: -1031.218 where: short stacking energy: -438.961 Base-Backbone interact. energy: -2.253 local terms energy: -502.370849 where: bonds (distance) C4'-P energy: -103.599 bonds (distance) P-C4' energy: -96.822 flat angles C4'-P-C4' energy: -116.812 flat angles P-C4'-P energy: -72.032 tors. eta vs tors. theta energy: -113.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1354.709391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.709391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.709391 (E_RNA) where: Base-Base interactions energy: -895.438 where: short stacking energy: -405.846 Base-Backbone interact. energy: -1.996 local terms energy: -457.275663 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -91.473 flat angles C4'-P-C4' energy: -111.718 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -85.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1029.016177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.016177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.016177 (E_RNA) where: Base-Base interactions energy: -626.179 where: short stacking energy: -304.976 Base-Backbone interact. energy: -0.144 local terms energy: -402.693650 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -91.745 flat angles C4'-P-C4' energy: -91.023 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -69.404 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: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -642.743837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.743837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.743837 (E_RNA) where: Base-Base interactions energy: -319.584 where: short stacking energy: -180.743 Base-Backbone interact. energy: 0.002 local terms energy: -323.161635 where: bonds (distance) C4'-P energy: -97.127 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -85.048 flat angles P-C4'-P energy: -41.080 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -557.697615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.697615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.697615 (E_RNA) where: Base-Base interactions energy: -256.528 where: short stacking energy: -152.005 Base-Backbone interact. energy: 0.465 local terms energy: -301.634424 where: bonds (distance) C4'-P energy: -92.449 bonds (distance) P-C4' energy: -90.300 flat angles C4'-P-C4' energy: -73.889 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: 16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2013.168605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.168605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.168605 (E_RNA) where: Base-Base interactions energy: -1366.800 where: short stacking energy: -620.120 Base-Backbone interact. energy: -2.763 local terms energy: -643.605128 where: bonds (distance) C4'-P energy: -107.967 bonds (distance) P-C4' energy: -128.378 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -85.858 tors. eta vs tors. theta energy: -184.209 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: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1931.093076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.093076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.093076 (E_RNA) where: Base-Base interactions energy: -1307.886 where: short stacking energy: -577.034 Base-Backbone interact. energy: -0.693 local terms energy: -622.514637 where: bonds (distance) C4'-P energy: -120.690 bonds (distance) P-C4' energy: -116.503 flat angles C4'-P-C4' energy: -130.772 flat angles P-C4'-P energy: -89.187 tors. eta vs tors. theta energy: -165.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1845.367699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.367699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.367699 (E_RNA) where: Base-Base interactions energy: -1244.534 where: short stacking energy: -541.975 Base-Backbone interact. energy: -1.922 local terms energy: -598.911348 where: bonds (distance) C4'-P energy: -107.712 bonds (distance) P-C4' energy: -105.241 flat angles C4'-P-C4' energy: -133.074 flat angles P-C4'-P energy: -84.761 tors. eta vs tors. theta energy: -168.123 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: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1730.703478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.703478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.703478 (E_RNA) where: Base-Base interactions energy: -1156.319 where: short stacking energy: -526.082 Base-Backbone interact. energy: -2.311 local terms energy: -572.073931 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -115.242 flat angles C4'-P-C4' energy: -128.042 flat angles P-C4'-P energy: -83.083 tors. eta vs tors. theta energy: -146.948 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: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1626.134715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.134715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.134715 (E_RNA) where: Base-Base interactions energy: -1082.192 where: short stacking energy: -472.654 Base-Backbone interact. energy: 0.564 local terms energy: -544.506862 where: bonds (distance) C4'-P energy: -106.543 bonds (distance) P-C4' energy: -109.551 flat angles C4'-P-C4' energy: -116.072 flat angles P-C4'-P energy: -81.620 tors. eta vs tors. theta energy: -130.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1511.800516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.800516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.800516 (E_RNA) where: Base-Base interactions energy: -1032.830 where: short stacking energy: -436.143 Base-Backbone interact. energy: -1.288 local terms energy: -477.683180 where: bonds (distance) C4'-P energy: -99.356 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -116.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1361.718689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.718689 (E_RNA) where: Base-Base interactions energy: -906.614 where: short stacking energy: -370.969 Base-Backbone interact. energy: 1.379 local terms energy: -456.483970 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -92.535 flat angles C4'-P-C4' energy: -102.457 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -75.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1092.392575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.392575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.392575 (E_RNA) where: Base-Base interactions energy: -695.695 where: short stacking energy: -330.558 Base-Backbone interact. energy: -2.856 local terms energy: -393.841802 where: bonds (distance) C4'-P energy: -88.800 bonds (distance) P-C4' energy: -91.272 flat angles C4'-P-C4' energy: -85.138 flat angles P-C4'-P energy: -49.844 tors. eta vs tors. theta energy: -78.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -642.824545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.824545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.824545 (E_RNA) where: Base-Base interactions energy: -316.933 where: short stacking energy: -189.584 Base-Backbone interact. energy: 3.522 local terms energy: -329.413520 where: bonds (distance) C4'-P energy: -90.003 bonds (distance) P-C4' energy: -106.916 flat angles C4'-P-C4' energy: -71.963 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -486.582189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.582189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.582189 (E_RNA) where: Base-Base interactions energy: -184.266 where: short stacking energy: -156.769 Base-Backbone interact. energy: -1.248 local terms energy: -301.067764 where: bonds (distance) C4'-P energy: -103.586 bonds (distance) P-C4' energy: -92.480 flat angles C4'-P-C4' energy: -77.849 flat angles P-C4'-P energy: -37.851 tors. eta vs tors. theta energy: 10.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2026.329739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.329739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.329739 (E_RNA) where: Base-Base interactions energy: -1380.444 where: short stacking energy: -611.388 Base-Backbone interact. energy: -0.755 local terms energy: -645.130808 where: bonds (distance) C4'-P energy: -113.297 bonds (distance) P-C4' energy: -121.482 flat angles C4'-P-C4' energy: -135.112 flat angles P-C4'-P energy: -92.308 tors. eta vs tors. theta energy: -182.931 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: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1974.772000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.772000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.772000 (E_RNA) where: Base-Base interactions energy: -1350.024 where: short stacking energy: -582.611 Base-Backbone interact. energy: -1.945 local terms energy: -622.802766 where: bonds (distance) C4'-P energy: -122.364 bonds (distance) P-C4' energy: -111.041 flat angles C4'-P-C4' energy: -127.646 flat angles P-C4'-P energy: -91.070 tors. eta vs tors. theta energy: -170.682 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: 416 Temperature: 1.000000 Total energy: -1813.007502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.007502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.007502 (E_RNA) where: Base-Base interactions energy: -1250.932 where: short stacking energy: -532.794 Base-Backbone interact. energy: -2.496 local terms energy: -559.579432 where: bonds (distance) C4'-P energy: -98.251 bonds (distance) P-C4' energy: -107.695 flat angles C4'-P-C4' energy: -126.690 flat angles P-C4'-P energy: -72.571 tors. eta vs tors. theta energy: -154.372 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: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1738.101401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.101401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.101401 (E_RNA) where: Base-Base interactions energy: -1209.693 where: short stacking energy: -502.469 Base-Backbone interact. energy: -0.431 local terms energy: -527.976868 where: bonds (distance) C4'-P energy: -92.669 bonds (distance) P-C4' energy: -104.417 flat angles C4'-P-C4' energy: -111.072 flat angles P-C4'-P energy: -79.990 tors. eta vs tors. theta energy: -139.828 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: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1651.762690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.762690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.762690 (E_RNA) where: Base-Base interactions energy: -1111.442 where: short stacking energy: -453.223 Base-Backbone interact. energy: 0.887 local terms energy: -541.207734 where: bonds (distance) C4'-P energy: -112.851 bonds (distance) P-C4' energy: -109.304 flat angles C4'-P-C4' energy: -119.086 flat angles P-C4'-P energy: -76.873 tors. eta vs tors. theta energy: -123.095 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: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1522.005833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.005833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.005833 (E_RNA) where: Base-Base interactions energy: -1048.427 where: short stacking energy: -446.440 Base-Backbone interact. energy: -2.217 local terms energy: -471.361841 where: bonds (distance) C4'-P energy: -84.832 bonds (distance) P-C4' energy: -108.332 flat angles C4'-P-C4' energy: -104.566 flat angles P-C4'-P energy: -61.389 tors. eta vs tors. theta energy: -112.243 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: 416 Temperature: 1.200000 Total energy: -1472.943373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.943373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.943373 (E_RNA) where: Base-Base interactions energy: -999.705 where: short stacking energy: -435.164 Base-Backbone interact. energy: 2.086 local terms energy: -475.324167 where: bonds (distance) C4'-P energy: -83.740 bonds (distance) P-C4' energy: -119.756 flat angles C4'-P-C4' energy: -104.490 flat angles P-C4'-P energy: -62.281 tors. eta vs tors. theta energy: -105.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1135.657233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.657233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.657233 (E_RNA) where: Base-Base interactions energy: -701.518 where: short stacking energy: -321.111 Base-Backbone interact. energy: 7.061 local terms energy: -441.200385 where: bonds (distance) C4'-P energy: -103.898 bonds (distance) P-C4' energy: -107.594 flat angles C4'-P-C4' energy: -99.697 flat angles P-C4'-P energy: -64.702 tors. eta vs tors. theta energy: -65.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -636.017184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.017184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.017184 (E_RNA) where: Base-Base interactions energy: -305.347 where: short stacking energy: -187.071 Base-Backbone interact. energy: -0.243 local terms energy: -330.426467 where: bonds (distance) C4'-P energy: -87.765 bonds (distance) P-C4' energy: -89.631 flat angles C4'-P-C4' energy: -91.895 flat angles P-C4'-P energy: -48.395 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -482.929507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.929507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.929507 (E_RNA) where: Base-Base interactions energy: -182.603 where: short stacking energy: -133.355 Base-Backbone interact. energy: -3.964 local terms energy: -296.362868 where: bonds (distance) C4'-P energy: -101.835 bonds (distance) P-C4' energy: -75.786 flat angles C4'-P-C4' energy: -87.559 flat angles P-C4'-P energy: -48.791 tors. eta vs tors. theta energy: 17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2035.353212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.353212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.353212 (E_RNA) where: Base-Base interactions energy: -1402.941 where: short stacking energy: -622.367 Base-Backbone interact. energy: -4.656 local terms energy: -627.756133 where: bonds (distance) C4'-P energy: -94.917 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -130.487 flat angles P-C4'-P energy: -95.089 tors. eta vs tors. theta energy: -185.606 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2004.883581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.883581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.883581 (E_RNA) where: Base-Base interactions energy: -1378.807 where: short stacking energy: -605.603 Base-Backbone interact. energy: -1.637 local terms energy: -624.439323 where: bonds (distance) C4'-P energy: -121.342 bonds (distance) P-C4' energy: -112.926 flat angles C4'-P-C4' energy: -129.466 flat angles P-C4'-P energy: -80.105 tors. eta vs tors. theta energy: -180.600 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: 417 Temperature: 1.000000 Total energy: -1818.823007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.823007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.823007 (E_RNA) where: Base-Base interactions energy: -1233.164 where: short stacking energy: -547.931 Base-Backbone interact. energy: -2.918 local terms energy: -582.741157 where: bonds (distance) C4'-P energy: -108.097 bonds (distance) P-C4' energy: -101.013 flat angles C4'-P-C4' energy: -136.680 flat angles P-C4'-P energy: -78.539 tors. eta vs tors. theta energy: -158.413 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: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1735.230908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.230908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.230908 (E_RNA) where: Base-Base interactions energy: -1209.905 where: short stacking energy: -501.757 Base-Backbone interact. energy: -2.533 local terms energy: -522.792390 where: bonds (distance) C4'-P energy: -96.895 bonds (distance) P-C4' energy: -95.326 flat angles C4'-P-C4' energy: -122.205 flat angles P-C4'-P energy: -73.475 tors. eta vs tors. theta energy: -134.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1646.298161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.298161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.298161 (E_RNA) where: Base-Base interactions energy: -1117.363 where: short stacking energy: -479.341 Base-Backbone interact. energy: -0.016 local terms energy: -528.918222 where: bonds (distance) C4'-P energy: -104.733 bonds (distance) P-C4' energy: -97.764 flat angles C4'-P-C4' energy: -111.274 flat angles P-C4'-P energy: -84.580 tors. eta vs tors. theta energy: -130.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1520.661921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.661921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.661921 (E_RNA) where: Base-Base interactions energy: -1047.794 where: short stacking energy: -439.774 Base-Backbone interact. energy: -1.917 local terms energy: -470.951147 where: bonds (distance) C4'-P energy: -71.318 bonds (distance) P-C4' energy: -101.552 flat angles C4'-P-C4' energy: -112.571 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -119.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1450.111052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.111052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.111052 (E_RNA) where: Base-Base interactions energy: -945.593 where: short stacking energy: -407.786 Base-Backbone interact. energy: -2.085 local terms energy: -502.433376 where: bonds (distance) C4'-P energy: -109.065 bonds (distance) P-C4' energy: -104.521 flat angles C4'-P-C4' energy: -105.578 flat angles P-C4'-P energy: -71.357 tors. eta vs tors. theta energy: -111.913 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: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1040.225570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.225570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.225570 (E_RNA) where: Base-Base interactions energy: -625.246 where: short stacking energy: -279.902 Base-Backbone interact. energy: 1.149 local terms energy: -416.128126 where: bonds (distance) C4'-P energy: -84.562 bonds (distance) P-C4' energy: -107.175 flat angles C4'-P-C4' energy: -106.324 flat angles P-C4'-P energy: -70.526 tors. eta vs tors. theta energy: -47.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -619.212227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.212227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.212227 (E_RNA) where: Base-Base interactions energy: -296.965 where: short stacking energy: -168.684 Base-Backbone interact. energy: -3.115 local terms energy: -319.132340 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -56.359 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -517.439754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.439754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.439754 (E_RNA) where: Base-Base interactions energy: -210.712 where: short stacking energy: -123.429 Base-Backbone interact. energy: -1.033 local terms energy: -305.694301 where: bonds (distance) C4'-P energy: -84.946 bonds (distance) P-C4' energy: -100.486 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -56.943 tors. eta vs tors. theta energy: 21.295 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: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2030.502419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.502419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.502419 (E_RNA) where: Base-Base interactions energy: -1374.424 where: short stacking energy: -616.754 Base-Backbone interact. energy: -0.258 local terms energy: -655.820861 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -120.088 flat angles C4'-P-C4' energy: -143.438 flat angles P-C4'-P energy: -94.325 tors. eta vs tors. theta energy: -188.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1991.224299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.224299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.224299 (E_RNA) where: Base-Base interactions energy: -1366.405 where: short stacking energy: -597.051 Base-Backbone interact. energy: -0.503 local terms energy: -624.316393 where: bonds (distance) C4'-P energy: -108.388 bonds (distance) P-C4' energy: -111.870 flat angles C4'-P-C4' energy: -136.196 flat angles P-C4'-P energy: -90.961 tors. eta vs tors. theta energy: -176.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1824.991878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.991878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.991878 (E_RNA) where: Base-Base interactions energy: -1251.886 where: short stacking energy: -517.416 Base-Backbone interact. energy: -0.269 local terms energy: -572.836797 where: bonds (distance) C4'-P energy: -109.581 bonds (distance) P-C4' energy: -110.513 flat angles C4'-P-C4' energy: -113.668 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -147.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1751.994994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.994994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.994994 (E_RNA) where: Base-Base interactions energy: -1192.727 where: short stacking energy: -527.427 Base-Backbone interact. energy: -1.044 local terms energy: -558.224869 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -102.889 flat angles C4'-P-C4' energy: -115.922 flat angles P-C4'-P energy: -81.920 tors. eta vs tors. theta energy: -164.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1664.594012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.594012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.594012 (E_RNA) where: Base-Base interactions energy: -1123.088 where: short stacking energy: -482.219 Base-Backbone interact. energy: -2.479 local terms energy: -539.027261 where: bonds (distance) C4'-P energy: -106.265 bonds (distance) P-C4' energy: -110.137 flat angles C4'-P-C4' energy: -105.403 flat angles P-C4'-P energy: -79.538 tors. eta vs tors. theta energy: -137.684 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: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1563.323737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.323737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.323737 (E_RNA) where: Base-Base interactions energy: -1056.630 where: short stacking energy: -452.674 Base-Backbone interact. energy: -2.344 local terms energy: -504.350314 where: bonds (distance) C4'-P energy: -98.538 bonds (distance) P-C4' energy: -104.040 flat angles C4'-P-C4' energy: -117.065 flat angles P-C4'-P energy: -65.674 tors. eta vs tors. theta energy: -119.033 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: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1505.002160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.002160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.002160 (E_RNA) where: Base-Base interactions energy: -993.003 where: short stacking energy: -434.394 Base-Backbone interact. energy: 2.141 local terms energy: -514.139428 where: bonds (distance) C4'-P energy: -93.956 bonds (distance) P-C4' energy: -95.192 flat angles C4'-P-C4' energy: -122.742 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -114.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1001.980724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.980724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.980724 (E_RNA) where: Base-Base interactions energy: -611.843 where: short stacking energy: -291.555 Base-Backbone interact. energy: -0.845 local terms energy: -389.292795 where: bonds (distance) C4'-P energy: -87.081 bonds (distance) P-C4' energy: -95.029 flat angles C4'-P-C4' energy: -94.788 flat angles P-C4'-P energy: -67.394 tors. eta vs tors. theta energy: -45.001 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: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -561.379805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.379805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.379805 (E_RNA) where: Base-Base interactions energy: -227.336 where: short stacking energy: -151.451 Base-Backbone interact. energy: 1.918 local terms energy: -335.962012 where: bonds (distance) C4'-P energy: -113.988 bonds (distance) P-C4' energy: -101.362 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: 1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -446.380305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.380305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.380305 (E_RNA) where: Base-Base interactions energy: -170.430 where: short stacking energy: -119.695 Base-Backbone interact. energy: -0.881 local terms energy: -275.069441 where: bonds (distance) C4'-P energy: -89.754 bonds (distance) P-C4' energy: -91.858 flat angles C4'-P-C4' energy: -71.983 flat angles P-C4'-P energy: -48.404 tors. eta vs tors. theta energy: 26.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2008.881090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.881090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.881090 (E_RNA) where: Base-Base interactions energy: -1387.483 where: short stacking energy: -616.834 Base-Backbone interact. energy: -3.966 local terms energy: -617.432113 where: bonds (distance) C4'-P energy: -107.270 bonds (distance) P-C4' energy: -98.970 flat angles C4'-P-C4' energy: -132.702 flat angles P-C4'-P energy: -96.305 tors. eta vs tors. theta energy: -182.185 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: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1988.295483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.295483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.295483 (E_RNA) where: Base-Base interactions energy: -1365.669 where: short stacking energy: -614.393 Base-Backbone interact. energy: -2.889 local terms energy: -619.737456 where: bonds (distance) C4'-P energy: -108.180 bonds (distance) P-C4' energy: -118.029 flat angles C4'-P-C4' energy: -121.976 flat angles P-C4'-P energy: -96.596 tors. eta vs tors. theta energy: -174.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1805.078608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.078608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.078608 (E_RNA) where: Base-Base interactions energy: -1235.712 where: short stacking energy: -517.728 Base-Backbone interact. energy: -1.382 local terms energy: -567.983905 where: bonds (distance) C4'-P energy: -95.729 bonds (distance) P-C4' energy: -115.731 flat angles C4'-P-C4' energy: -123.227 flat angles P-C4'-P energy: -83.219 tors. eta vs tors. theta energy: -150.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1777.319092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.319092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.319092 (E_RNA) where: Base-Base interactions energy: -1192.557 where: short stacking energy: -545.163 Base-Backbone interact. energy: -3.596 local terms energy: -581.165903 where: bonds (distance) C4'-P energy: -101.147 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -130.613 flat angles P-C4'-P energy: -83.235 tors. eta vs tors. theta energy: -164.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1620.212009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.212009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.212009 (E_RNA) where: Base-Base interactions energy: -1094.401 where: short stacking energy: -455.805 Base-Backbone interact. energy: -0.686 local terms energy: -525.125029 where: bonds (distance) C4'-P energy: -98.623 bonds (distance) P-C4' energy: -95.079 flat angles C4'-P-C4' energy: -124.131 flat angles P-C4'-P energy: -78.973 tors. eta vs tors. theta energy: -128.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1530.526615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.526615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.526615 (E_RNA) where: Base-Base interactions energy: -1046.893 where: short stacking energy: -450.284 Base-Backbone interact. energy: -1.392 local terms energy: -482.241805 where: bonds (distance) C4'-P energy: -79.955 bonds (distance) P-C4' energy: -105.818 flat angles C4'-P-C4' energy: -107.626 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -119.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1458.733131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.733131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.733131 (E_RNA) where: Base-Base interactions energy: -989.020 where: short stacking energy: -404.142 Base-Backbone interact. energy: 0.062 local terms energy: -469.774799 where: bonds (distance) C4'-P energy: -83.169 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -118.878 flat angles P-C4'-P energy: -60.117 tors. eta vs tors. theta energy: -101.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1036.281492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.281492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.281492 (E_RNA) where: Base-Base interactions energy: -647.672 where: short stacking energy: -301.130 Base-Backbone interact. energy: -0.279 local terms energy: -388.330652 where: bonds (distance) C4'-P energy: -93.854 bonds (distance) P-C4' energy: -110.249 flat angles C4'-P-C4' energy: -92.669 flat angles P-C4'-P energy: -54.359 tors. eta vs tors. theta energy: -37.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -592.563073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.563073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.563073 (E_RNA) where: Base-Base interactions energy: -259.303 where: short stacking energy: -164.609 Base-Backbone interact. energy: -2.173 local terms energy: -331.087608 where: bonds (distance) C4'-P energy: -102.930 bonds (distance) P-C4' energy: -105.400 flat angles C4'-P-C4' energy: -88.973 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: 6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -493.763469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.763469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.763469 (E_RNA) where: Base-Base interactions energy: -180.912 where: short stacking energy: -126.701 Base-Backbone interact. energy: -2.376 local terms energy: -310.475978 where: bonds (distance) C4'-P energy: -92.839 bonds (distance) P-C4' energy: -102.918 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: 11.888 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: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2053.888009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.888009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.888009 (E_RNA) where: Base-Base interactions energy: -1401.160 where: short stacking energy: -625.978 Base-Backbone interact. energy: -2.186 local terms energy: -650.542121 where: bonds (distance) C4'-P energy: -111.358 bonds (distance) P-C4' energy: -118.899 flat angles C4'-P-C4' energy: -134.697 flat angles P-C4'-P energy: -102.401 tors. eta vs tors. theta energy: -183.186 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: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1990.331152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.331152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.331152 (E_RNA) where: Base-Base interactions energy: -1367.204 where: short stacking energy: -586.089 Base-Backbone interact. energy: -1.866 local terms energy: -621.260664 where: bonds (distance) C4'-P energy: -108.316 bonds (distance) P-C4' energy: -117.609 flat angles C4'-P-C4' energy: -127.159 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -175.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1805.747483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.747483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.747483 (E_RNA) where: Base-Base interactions energy: -1242.970 where: short stacking energy: -535.819 Base-Backbone interact. energy: -2.722 local terms energy: -560.055121 where: bonds (distance) C4'-P energy: -98.232 bonds (distance) P-C4' energy: -104.806 flat angles C4'-P-C4' energy: -117.481 flat angles P-C4'-P energy: -83.157 tors. eta vs tors. theta energy: -156.380 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: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1768.472689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.472689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.472689 (E_RNA) where: Base-Base interactions energy: -1205.898 where: short stacking energy: -527.630 Base-Backbone interact. energy: -1.494 local terms energy: -561.081532 where: bonds (distance) C4'-P energy: -114.169 bonds (distance) P-C4' energy: -110.015 flat angles C4'-P-C4' energy: -111.128 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -161.879 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1624.620187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.620187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.620187 (E_RNA) where: Base-Base interactions energy: -1077.387 where: short stacking energy: -482.365 Base-Backbone interact. energy: -1.513 local terms energy: -545.720543 where: bonds (distance) C4'-P energy: -92.690 bonds (distance) P-C4' energy: -112.802 flat angles C4'-P-C4' energy: -125.161 flat angles P-C4'-P energy: -70.773 tors. eta vs tors. theta energy: -144.295 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: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1547.263527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.263527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.263527 (E_RNA) where: Base-Base interactions energy: -1035.057 where: short stacking energy: -459.574 Base-Backbone interact. energy: -3.209 local terms energy: -508.997593 where: bonds (distance) C4'-P energy: -100.887 bonds (distance) P-C4' energy: -98.521 flat angles C4'-P-C4' energy: -110.807 flat angles P-C4'-P energy: -70.587 tors. eta vs tors. theta energy: -128.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1525.839060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.839060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.839060 (E_RNA) where: Base-Base interactions energy: -1035.338 where: short stacking energy: -450.327 Base-Backbone interact. energy: -2.195 local terms energy: -488.306283 where: bonds (distance) C4'-P energy: -83.387 bonds (distance) P-C4' energy: -90.212 flat angles C4'-P-C4' energy: -123.005 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -125.114 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: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1020.348828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.348828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.348828 (E_RNA) where: Base-Base interactions energy: -618.889 where: short stacking energy: -284.077 Base-Backbone interact. energy: -3.747 local terms energy: -397.712489 where: bonds (distance) C4'-P energy: -97.021 bonds (distance) P-C4' energy: -106.442 flat angles C4'-P-C4' energy: -92.663 flat angles P-C4'-P energy: -47.962 tors. eta vs tors. theta energy: -53.624 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: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -664.701680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.701680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.701680 (E_RNA) where: Base-Base interactions energy: -330.535 where: short stacking energy: -202.505 Base-Backbone interact. energy: -1.334 local terms energy: -332.833475 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -82.926 flat angles C4'-P-C4' energy: -101.868 flat angles P-C4'-P energy: -40.265 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -548.200460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.200460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.200460 (E_RNA) where: Base-Base interactions energy: -237.021 where: short stacking energy: -152.068 Base-Backbone interact. energy: -0.871 local terms energy: -310.307832 where: bonds (distance) C4'-P energy: -89.729 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -95.396 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: 14.345 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: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2043.125355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.125355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.125355 (E_RNA) where: Base-Base interactions energy: -1375.335 where: short stacking energy: -610.201 Base-Backbone interact. energy: -1.568 local terms energy: -666.222791 where: bonds (distance) C4'-P energy: -122.062 bonds (distance) P-C4' energy: -119.788 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -98.572 tors. eta vs tors. theta energy: -191.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1972.908147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.908147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.908147 (E_RNA) where: Base-Base interactions energy: -1351.751 where: short stacking energy: -556.316 Base-Backbone interact. energy: -1.081 local terms energy: -620.075708 where: bonds (distance) C4'-P energy: -112.983 bonds (distance) P-C4' energy: -116.217 flat angles C4'-P-C4' energy: -128.103 flat angles P-C4'-P energy: -98.761 tors. eta vs tors. theta energy: -164.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1835.833996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.833996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.833996 (E_RNA) where: Base-Base interactions energy: -1259.388 where: short stacking energy: -538.770 Base-Backbone interact. energy: -5.134 local terms energy: -571.312016 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -105.101 flat angles C4'-P-C4' energy: -119.554 flat angles P-C4'-P energy: -81.508 tors. eta vs tors. theta energy: -163.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1680.457390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.457390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.457390 (E_RNA) where: Base-Base interactions energy: -1118.253 where: short stacking energy: -495.168 Base-Backbone interact. energy: -2.115 local terms energy: -560.089464 where: bonds (distance) C4'-P energy: -97.176 bonds (distance) P-C4' energy: -115.927 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -75.339 tors. eta vs tors. theta energy: -145.728 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: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1669.472386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.472386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.472386 (E_RNA) where: Base-Base interactions energy: -1144.306 where: short stacking energy: -475.640 Base-Backbone interact. energy: -0.729 local terms energy: -524.437194 where: bonds (distance) C4'-P energy: -109.758 bonds (distance) P-C4' energy: -105.700 flat angles C4'-P-C4' energy: -120.325 flat angles P-C4'-P energy: -71.259 tors. eta vs tors. theta energy: -117.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1531.327458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.327458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.327458 (E_RNA) where: Base-Base interactions energy: -1029.789 where: short stacking energy: -413.273 Base-Backbone interact. energy: -4.389 local terms energy: -497.149337 where: bonds (distance) C4'-P energy: -97.299 bonds (distance) P-C4' energy: -95.060 flat angles C4'-P-C4' energy: -113.890 flat angles P-C4'-P energy: -82.846 tors. eta vs tors. theta energy: -108.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1432.110961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.110961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.110961 (E_RNA) where: Base-Base interactions energy: -964.148 where: short stacking energy: -428.602 Base-Backbone interact. energy: -4.169 local terms energy: -463.794152 where: bonds (distance) C4'-P energy: -75.421 bonds (distance) P-C4' energy: -110.590 flat angles C4'-P-C4' energy: -103.016 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -117.031 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: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1060.399206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.399206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.399206 (E_RNA) where: Base-Base interactions energy: -672.254 where: short stacking energy: -326.825 Base-Backbone interact. energy: -3.568 local terms energy: -384.577395 where: bonds (distance) C4'-P energy: -96.424 bonds (distance) P-C4' energy: -83.367 flat angles C4'-P-C4' energy: -85.370 flat angles P-C4'-P energy: -60.323 tors. eta vs tors. theta energy: -59.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -649.573301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.573301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.573301 (E_RNA) where: Base-Base interactions energy: -303.790 where: short stacking energy: -173.751 Base-Backbone interact. energy: -0.459 local terms energy: -345.324404 where: bonds (distance) C4'-P energy: -109.701 bonds (distance) P-C4' energy: -99.115 flat angles C4'-P-C4' energy: -95.273 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -497.484550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.484550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.484550 (E_RNA) where: Base-Base interactions energy: -216.283 where: short stacking energy: -153.696 Base-Backbone interact. energy: 3.393 local terms energy: -284.593664 where: bonds (distance) C4'-P energy: -104.352 bonds (distance) P-C4' energy: -80.977 flat angles C4'-P-C4' energy: -81.640 flat angles P-C4'-P energy: -37.283 tors. eta vs tors. theta energy: 19.658 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: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2039.952561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.952561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.952561 (E_RNA) where: Base-Base interactions energy: -1377.709 where: short stacking energy: -617.003 Base-Backbone interact. energy: -4.918 local terms energy: -657.325948 where: bonds (distance) C4'-P energy: -111.562 bonds (distance) P-C4' energy: -124.122 flat angles C4'-P-C4' energy: -142.337 flat angles P-C4'-P energy: -93.990 tors. eta vs tors. theta energy: -185.316 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: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1952.311365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.311365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.311365 (E_RNA) where: Base-Base interactions energy: -1357.822 where: short stacking energy: -590.286 Base-Backbone interact. energy: -1.495 local terms energy: -592.994671 where: bonds (distance) C4'-P energy: -113.215 bonds (distance) P-C4' energy: -103.116 flat angles C4'-P-C4' energy: -130.451 flat angles P-C4'-P energy: -80.364 tors. eta vs tors. theta energy: -165.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1812.558179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.558179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.558179 (E_RNA) where: Base-Base interactions energy: -1235.288 where: short stacking energy: -542.237 Base-Backbone interact. energy: -3.550 local terms energy: -573.719891 where: bonds (distance) C4'-P energy: -99.442 bonds (distance) P-C4' energy: -120.879 flat angles C4'-P-C4' energy: -131.088 flat angles P-C4'-P energy: -72.037 tors. eta vs tors. theta energy: -150.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1702.034262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.034262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.034262 (E_RNA) where: Base-Base interactions energy: -1154.853 where: short stacking energy: -509.849 Base-Backbone interact. energy: -2.434 local terms energy: -544.747609 where: bonds (distance) C4'-P energy: -122.064 bonds (distance) P-C4' energy: -98.292 flat angles C4'-P-C4' energy: -108.986 flat angles P-C4'-P energy: -81.167 tors. eta vs tors. theta energy: -134.239 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: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1657.644341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.644341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.644341 (E_RNA) where: Base-Base interactions energy: -1139.606 where: short stacking energy: -485.993 Base-Backbone interact. energy: -0.923 local terms energy: -517.116065 where: bonds (distance) C4'-P energy: -95.123 bonds (distance) P-C4' energy: -109.148 flat angles C4'-P-C4' energy: -110.154 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -128.466 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: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1505.450400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.450400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.450400 (E_RNA) where: Base-Base interactions energy: -1040.482 where: short stacking energy: -448.054 Base-Backbone interact. energy: -3.466 local terms energy: -461.502645 where: bonds (distance) C4'-P energy: -75.075 bonds (distance) P-C4' energy: -97.504 flat angles C4'-P-C4' energy: -113.749 flat angles P-C4'-P energy: -66.561 tors. eta vs tors. theta energy: -108.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1447.033990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.033990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.033990 (E_RNA) where: Base-Base interactions energy: -977.643 where: short stacking energy: -427.851 Base-Backbone interact. energy: -2.217 local terms energy: -467.174105 where: bonds (distance) C4'-P energy: -99.131 bonds (distance) P-C4' energy: -92.417 flat angles C4'-P-C4' energy: -97.812 flat angles P-C4'-P energy: -60.707 tors. eta vs tors. theta energy: -117.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1093.193664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.193664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.193664 (E_RNA) where: Base-Base interactions energy: -679.881 where: short stacking energy: -331.134 Base-Backbone interact. energy: -2.036 local terms energy: -411.276679 where: bonds (distance) C4'-P energy: -87.654 bonds (distance) P-C4' energy: -94.092 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -67.576 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: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -652.381731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.381731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.381731 (E_RNA) where: Base-Base interactions energy: -303.265 where: short stacking energy: -183.458 Base-Backbone interact. energy: -1.027 local terms energy: -348.089287 where: bonds (distance) C4'-P energy: -103.934 bonds (distance) P-C4' energy: -113.845 flat angles C4'-P-C4' energy: -69.197 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -8.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -531.161181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.161181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.161181 (E_RNA) where: Base-Base interactions energy: -212.900 where: short stacking energy: -129.668 Base-Backbone interact. energy: 6.595 local terms energy: -324.856287 where: bonds (distance) C4'-P energy: -87.719 bonds (distance) P-C4' energy: -95.125 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: 11.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2033.918769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.918769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.918769 (E_RNA) where: Base-Base interactions energy: -1389.993 where: short stacking energy: -606.968 Base-Backbone interact. energy: 0.063 local terms energy: -643.988959 where: bonds (distance) C4'-P energy: -117.664 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -129.322 flat angles P-C4'-P energy: -87.497 tors. eta vs tors. theta energy: -193.035 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: 423 Temperature: 0.950000 Total energy: -1981.992717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.992717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.992717 (E_RNA) where: Base-Base interactions energy: -1374.476 where: short stacking energy: -579.037 Base-Backbone interact. energy: -2.300 local terms energy: -605.217614 where: bonds (distance) C4'-P energy: -108.041 bonds (distance) P-C4' energy: -106.682 flat angles C4'-P-C4' energy: -133.787 flat angles P-C4'-P energy: -82.262 tors. eta vs tors. theta energy: -174.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1816.228096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.228096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.228096 (E_RNA) where: Base-Base interactions energy: -1248.677 where: short stacking energy: -549.166 Base-Backbone interact. energy: -1.981 local terms energy: -565.569484 where: bonds (distance) C4'-P energy: -107.534 bonds (distance) P-C4' energy: -100.160 flat angles C4'-P-C4' energy: -127.602 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -162.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1699.935009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.935009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.935009 (E_RNA) where: Base-Base interactions energy: -1167.389 where: short stacking energy: -488.504 Base-Backbone interact. energy: -2.675 local terms energy: -529.870311 where: bonds (distance) C4'-P energy: -96.905 bonds (distance) P-C4' energy: -111.072 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -72.752 tors. eta vs tors. theta energy: -121.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1718.953315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.953315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.953315 (E_RNA) where: Base-Base interactions energy: -1181.967 where: short stacking energy: -511.748 Base-Backbone interact. energy: -1.697 local terms energy: -535.289984 where: bonds (distance) C4'-P energy: -99.894 bonds (distance) P-C4' energy: -113.729 flat angles C4'-P-C4' energy: -109.992 flat angles P-C4'-P energy: -70.939 tors. eta vs tors. theta energy: -140.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1437.019904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.019904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.019904 (E_RNA) where: Base-Base interactions energy: -963.762 where: short stacking energy: -445.435 Base-Backbone interact. energy: 1.754 local terms energy: -475.012231 where: bonds (distance) C4'-P energy: -63.635 bonds (distance) P-C4' energy: -118.073 flat angles C4'-P-C4' energy: -108.616 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -112.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1470.650015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.650015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.650015 (E_RNA) where: Base-Base interactions energy: -1010.786 where: short stacking energy: -426.933 Base-Backbone interact. energy: 0.658 local terms energy: -460.522029 where: bonds (distance) C4'-P energy: -82.293 bonds (distance) P-C4' energy: -94.956 flat angles C4'-P-C4' energy: -103.991 flat angles P-C4'-P energy: -68.390 tors. eta vs tors. theta energy: -110.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1032.533128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.533128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.533128 (E_RNA) where: Base-Base interactions energy: -644.841 where: short stacking energy: -318.419 Base-Backbone interact. energy: 2.232 local terms energy: -389.924306 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -87.776 flat angles C4'-P-C4' energy: -95.016 flat angles P-C4'-P energy: -42.581 tors. eta vs tors. theta energy: -55.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -726.699992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.699992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.699992 (E_RNA) where: Base-Base interactions energy: -379.673 where: short stacking energy: -201.061 Base-Backbone interact. energy: 1.840 local terms energy: -348.867037 where: bonds (distance) C4'-P energy: -104.643 bonds (distance) P-C4' energy: -85.380 flat angles C4'-P-C4' energy: -89.304 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -22.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -463.286222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.286222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.286222 (E_RNA) where: Base-Base interactions energy: -165.357 where: short stacking energy: -112.810 Base-Backbone interact. energy: 0.366 local terms energy: -298.294715 where: bonds (distance) C4'-P energy: -95.079 bonds (distance) P-C4' energy: -96.466 flat angles C4'-P-C4' energy: -85.109 flat angles P-C4'-P energy: -35.820 tors. eta vs tors. theta energy: 14.179 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: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2030.928383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.928383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.928383 (E_RNA) where: Base-Base interactions energy: -1403.329 where: short stacking energy: -620.119 Base-Backbone interact. energy: -2.195 local terms energy: -625.404151 where: bonds (distance) C4'-P energy: -108.531 bonds (distance) P-C4' energy: -110.596 flat angles C4'-P-C4' energy: -131.718 flat angles P-C4'-P energy: -91.576 tors. eta vs tors. theta energy: -182.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1997.102317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.102317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.102317 (E_RNA) where: Base-Base interactions energy: -1357.596 where: short stacking energy: -576.265 Base-Backbone interact. energy: -3.545 local terms energy: -635.961001 where: bonds (distance) C4'-P energy: -106.042 bonds (distance) P-C4' energy: -118.599 flat angles C4'-P-C4' energy: -134.013 flat angles P-C4'-P energy: -91.708 tors. eta vs tors. theta energy: -185.600 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: 424 Temperature: 1.000000 Total energy: -1824.839179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.839179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.839179 (E_RNA) where: Base-Base interactions energy: -1225.119 where: short stacking energy: -551.533 Base-Backbone interact. energy: -3.881 local terms energy: -595.839609 where: bonds (distance) C4'-P energy: -106.346 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -137.040 flat angles P-C4'-P energy: -90.095 tors. eta vs tors. theta energy: -164.152 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: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1716.117123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.117123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.117123 (E_RNA) where: Base-Base interactions energy: -1156.237 where: short stacking energy: -507.269 Base-Backbone interact. energy: -0.565 local terms energy: -559.314576 where: bonds (distance) C4'-P energy: -100.962 bonds (distance) P-C4' energy: -118.053 flat angles C4'-P-C4' energy: -117.107 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: -145.111 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: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1671.670596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.670596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.670596 (E_RNA) where: Base-Base interactions energy: -1150.445 where: short stacking energy: -484.789 Base-Backbone interact. energy: -4.308 local terms energy: -516.917886 where: bonds (distance) C4'-P energy: -103.825 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -114.898 flat angles P-C4'-P energy: -73.356 tors. eta vs tors. theta energy: -126.078 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: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1474.717531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.717531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.717531 (E_RNA) where: Base-Base interactions energy: -1004.619 where: short stacking energy: -412.556 Base-Backbone interact. energy: -0.514 local terms energy: -469.584772 where: bonds (distance) C4'-P energy: -106.885 bonds (distance) P-C4' energy: -77.685 flat angles C4'-P-C4' energy: -119.051 flat angles P-C4'-P energy: -71.825 tors. eta vs tors. theta energy: -94.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1487.076632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.076632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.076632 (E_RNA) where: Base-Base interactions energy: -997.123 where: short stacking energy: -437.365 Base-Backbone interact. energy: -1.882 local terms energy: -488.072047 where: bonds (distance) C4'-P energy: -86.445 bonds (distance) P-C4' energy: -106.695 flat angles C4'-P-C4' energy: -108.141 flat angles P-C4'-P energy: -66.834 tors. eta vs tors. theta energy: -119.956 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: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1016.975193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.975193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.975193 (E_RNA) where: Base-Base interactions energy: -607.085 where: short stacking energy: -272.774 Base-Backbone interact. energy: -0.569 local terms energy: -409.320366 where: bonds (distance) C4'-P energy: -103.889 bonds (distance) P-C4' energy: -108.242 flat angles C4'-P-C4' energy: -87.875 flat angles P-C4'-P energy: -59.355 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: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -736.884250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.884250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.884250 (E_RNA) where: Base-Base interactions energy: -374.996 where: short stacking energy: -180.665 Base-Backbone interact. energy: -2.366 local terms energy: -359.522439 where: bonds (distance) C4'-P energy: -86.128 bonds (distance) P-C4' energy: -107.798 flat angles C4'-P-C4' energy: -81.364 flat angles P-C4'-P energy: -71.590 tors. eta vs tors. theta energy: -12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -448.018811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.018811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.018811 (E_RNA) where: Base-Base interactions energy: -169.626 where: short stacking energy: -146.986 Base-Backbone interact. energy: 0.952 local terms energy: -279.344747 where: bonds (distance) C4'-P energy: -92.637 bonds (distance) P-C4' energy: -97.927 flat angles C4'-P-C4' energy: -54.711 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: 14.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2022.936738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.936738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.936738 (E_RNA) where: Base-Base interactions energy: -1382.776 where: short stacking energy: -609.754 Base-Backbone interact. energy: 1.111 local terms energy: -641.271717 where: bonds (distance) C4'-P energy: -108.812 bonds (distance) P-C4' energy: -118.235 flat angles C4'-P-C4' energy: -138.398 flat angles P-C4'-P energy: -100.393 tors. eta vs tors. theta energy: -175.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1996.122464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.122464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.122464 (E_RNA) where: Base-Base interactions energy: -1362.526 where: short stacking energy: -610.141 Base-Backbone interact. energy: -3.284 local terms energy: -630.312562 where: bonds (distance) C4'-P energy: -103.009 bonds (distance) P-C4' energy: -119.034 flat angles C4'-P-C4' energy: -134.814 flat angles P-C4'-P energy: -90.176 tors. eta vs tors. theta energy: -183.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1808.356613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.356613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.356613 (E_RNA) where: Base-Base interactions energy: -1243.063 where: short stacking energy: -550.934 Base-Backbone interact. energy: -2.386 local terms energy: -562.907362 where: bonds (distance) C4'-P energy: -118.618 bonds (distance) P-C4' energy: -104.405 flat angles C4'-P-C4' energy: -126.355 flat angles P-C4'-P energy: -73.249 tors. eta vs tors. theta energy: -140.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1722.279739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.279739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.279739 (E_RNA) where: Base-Base interactions energy: -1162.200 where: short stacking energy: -518.763 Base-Backbone interact. energy: -4.499 local terms energy: -555.580600 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -99.429 flat angles C4'-P-C4' energy: -124.336 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -144.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1703.199426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.199426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.199426 (E_RNA) where: Base-Base interactions energy: -1181.102 where: short stacking energy: -487.291 Base-Backbone interact. energy: 1.311 local terms energy: -523.408247 where: bonds (distance) C4'-P energy: -98.579 bonds (distance) P-C4' energy: -107.102 flat angles C4'-P-C4' energy: -115.152 flat angles P-C4'-P energy: -62.147 tors. eta vs tors. theta energy: -140.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1503.079429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.079429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.079429 (E_RNA) where: Base-Base interactions energy: -1014.627 where: short stacking energy: -448.587 Base-Backbone interact. energy: 4.347 local terms energy: -492.799040 where: bonds (distance) C4'-P energy: -100.965 bonds (distance) P-C4' energy: -113.910 flat angles C4'-P-C4' energy: -93.327 flat angles P-C4'-P energy: -68.513 tors. eta vs tors. theta energy: -116.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1398.516296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.516296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.516296 (E_RNA) where: Base-Base interactions energy: -928.650 where: short stacking energy: -404.159 Base-Backbone interact. energy: 0.768 local terms energy: -470.634893 where: bonds (distance) C4'-P energy: -91.833 bonds (distance) P-C4' energy: -101.760 flat angles C4'-P-C4' energy: -102.691 flat angles P-C4'-P energy: -71.824 tors. eta vs tors. theta energy: -102.527 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: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1055.159896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.159896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.159896 (E_RNA) where: Base-Base interactions energy: -645.312 where: short stacking energy: -282.375 Base-Backbone interact. energy: -1.393 local terms energy: -408.454603 where: bonds (distance) C4'-P energy: -103.597 bonds (distance) P-C4' energy: -103.802 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -51.038 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: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -802.231377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.231377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.231377 (E_RNA) where: Base-Base interactions energy: -425.723 where: short stacking energy: -223.612 Base-Backbone interact. energy: 2.180 local terms energy: -378.688336 where: bonds (distance) C4'-P energy: -106.941 bonds (distance) P-C4' energy: -101.020 flat angles C4'-P-C4' energy: -85.172 flat angles P-C4'-P energy: -67.013 tors. eta vs tors. theta energy: -18.542 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -465.227072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.227072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.227072 (E_RNA) where: Base-Base interactions energy: -175.677 where: short stacking energy: -151.183 Base-Backbone interact. energy: 0.412 local terms energy: -289.962530 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -99.618 flat angles C4'-P-C4' energy: -88.757 flat angles P-C4'-P energy: -37.248 tors. eta vs tors. theta energy: 18.001 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: 426 Temperature: 0.900000 Total energy: -2016.000964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.000964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.000964 (E_RNA) where: Base-Base interactions energy: -1380.469 where: short stacking energy: -607.858 Base-Backbone interact. energy: 0.132 local terms energy: -635.664120 where: bonds (distance) C4'-P energy: -117.921 bonds (distance) P-C4' energy: -120.708 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -89.885 tors. eta vs tors. theta energy: -187.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1978.320024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.320024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.320024 (E_RNA) where: Base-Base interactions energy: -1349.376 where: short stacking energy: -582.220 Base-Backbone interact. energy: -3.172 local terms energy: -625.772122 where: bonds (distance) C4'-P energy: -111.912 bonds (distance) P-C4' energy: -122.492 flat angles C4'-P-C4' energy: -132.545 flat angles P-C4'-P energy: -88.891 tors. eta vs tors. theta energy: -169.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1810.422238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.422238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.422238 (E_RNA) where: Base-Base interactions energy: -1238.587 where: short stacking energy: -541.157 Base-Backbone interact. energy: -2.046 local terms energy: -569.789287 where: bonds (distance) C4'-P energy: -109.149 bonds (distance) P-C4' energy: -108.488 flat angles C4'-P-C4' energy: -118.085 flat angles P-C4'-P energy: -78.547 tors. eta vs tors. theta energy: -155.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1727.062401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.062401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.062401 (E_RNA) where: Base-Base interactions energy: -1172.309 where: short stacking energy: -504.198 Base-Backbone interact. energy: 7.348 local terms energy: -562.101561 where: bonds (distance) C4'-P energy: -100.114 bonds (distance) P-C4' energy: -111.063 flat angles C4'-P-C4' energy: -133.698 flat angles P-C4'-P energy: -77.009 tors. eta vs tors. theta energy: -140.218 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: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1718.587914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.587914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.587914 (E_RNA) where: Base-Base interactions energy: -1174.512 where: short stacking energy: -514.572 Base-Backbone interact. energy: -5.322 local terms energy: -538.753608 where: bonds (distance) C4'-P energy: -90.470 bonds (distance) P-C4' energy: -108.540 flat angles C4'-P-C4' energy: -120.123 flat angles P-C4'-P energy: -77.615 tors. eta vs tors. theta energy: -142.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1542.998067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.998067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.998067 (E_RNA) where: Base-Base interactions energy: -1043.576 where: short stacking energy: -462.374 Base-Backbone interact. energy: -1.394 local terms energy: -498.028353 where: bonds (distance) C4'-P energy: -86.687 bonds (distance) P-C4' energy: -104.000 flat angles C4'-P-C4' energy: -102.673 flat angles P-C4'-P energy: -79.566 tors. eta vs tors. theta energy: -125.102 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: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1390.012976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.012976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.012976 (E_RNA) where: Base-Base interactions energy: -943.501 where: short stacking energy: -387.543 Base-Backbone interact. energy: -0.272 local terms energy: -446.240408 where: bonds (distance) C4'-P energy: -95.960 bonds (distance) P-C4' energy: -102.845 flat angles C4'-P-C4' energy: -115.228 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -94.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1124.184925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.184925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.184925 (E_RNA) where: Base-Base interactions energy: -736.152 where: short stacking energy: -330.119 Base-Backbone interact. energy: 5.830 local terms energy: -393.862142 where: bonds (distance) C4'-P energy: -79.214 bonds (distance) P-C4' energy: -107.857 flat angles C4'-P-C4' energy: -78.140 flat angles P-C4'-P energy: -72.630 tors. eta vs tors. theta energy: -56.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -785.082287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.082287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.082287 (E_RNA) where: Base-Base interactions energy: -425.899 where: short stacking energy: -225.341 Base-Backbone interact. energy: 0.370 local terms energy: -359.554074 where: bonds (distance) C4'-P energy: -87.962 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -72.004 tors. eta vs tors. theta energy: -20.337 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: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -444.104609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.104609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.104609 (E_RNA) where: Base-Base interactions energy: -131.667 where: short stacking energy: -113.720 Base-Backbone interact. energy: -2.638 local terms energy: -309.799774 where: bonds (distance) C4'-P energy: -95.239 bonds (distance) P-C4' energy: -91.931 flat angles C4'-P-C4' energy: -81.648 flat angles P-C4'-P energy: -47.832 tors. eta vs tors. theta energy: 6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2013.548959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.548959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.548959 (E_RNA) where: Base-Base interactions energy: -1384.026 where: short stacking energy: -609.007 Base-Backbone interact. energy: -4.224 local terms energy: -625.298205 where: bonds (distance) C4'-P energy: -113.390 bonds (distance) P-C4' energy: -114.453 flat angles C4'-P-C4' energy: -132.601 flat angles P-C4'-P energy: -81.319 tors. eta vs tors. theta energy: -183.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1949.371457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.371457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.371457 (E_RNA) where: Base-Base interactions energy: -1338.045 where: short stacking energy: -590.921 Base-Backbone interact. energy: 5.496 local terms energy: -616.822365 where: bonds (distance) C4'-P energy: -107.409 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -126.059 flat angles P-C4'-P energy: -90.377 tors. eta vs tors. theta energy: -173.729 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: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1829.645863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.645863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.645863 (E_RNA) where: Base-Base interactions energy: -1257.200 where: short stacking energy: -571.318 Base-Backbone interact. energy: -4.032 local terms energy: -568.414415 where: bonds (distance) C4'-P energy: -109.974 bonds (distance) P-C4' energy: -91.472 flat angles C4'-P-C4' energy: -131.127 flat angles P-C4'-P energy: -72.129 tors. eta vs tors. theta energy: -163.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1770.885253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.885253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.885253 (E_RNA) where: Base-Base interactions energy: -1205.759 where: short stacking energy: -523.006 Base-Backbone interact. energy: -4.125 local terms energy: -561.001238 where: bonds (distance) C4'-P energy: -97.149 bonds (distance) P-C4' energy: -108.758 flat angles C4'-P-C4' energy: -127.874 flat angles P-C4'-P energy: -76.314 tors. eta vs tors. theta energy: -150.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1650.817192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.817192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.817192 (E_RNA) where: Base-Base interactions energy: -1121.120 where: short stacking energy: -480.582 Base-Backbone interact. energy: -1.177 local terms energy: -528.519910 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -105.939 flat angles C4'-P-C4' energy: -115.044 flat angles P-C4'-P energy: -76.499 tors. eta vs tors. theta energy: -137.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1540.615702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.615702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.615702 (E_RNA) where: Base-Base interactions energy: -1030.933 where: short stacking energy: -434.978 Base-Backbone interact. energy: 0.013 local terms energy: -509.695703 where: bonds (distance) C4'-P energy: -96.986 bonds (distance) P-C4' energy: -109.222 flat angles C4'-P-C4' energy: -120.558 flat angles P-C4'-P energy: -78.958 tors. eta vs tors. theta energy: -103.973 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: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1421.192312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.192312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.192312 (E_RNA) where: Base-Base interactions energy: -951.809 where: short stacking energy: -412.617 Base-Backbone interact. energy: -2.429 local terms energy: -466.954116 where: bonds (distance) C4'-P energy: -94.782 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -102.954 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -108.625 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: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1123.741721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.741721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.741721 (E_RNA) where: Base-Base interactions energy: -703.025 where: short stacking energy: -300.408 Base-Backbone interact. energy: 1.142 local terms energy: -421.859255 where: bonds (distance) C4'-P energy: -92.808 bonds (distance) P-C4' energy: -107.957 flat angles C4'-P-C4' energy: -103.170 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -59.944 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: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -743.959630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.959630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.959630 (E_RNA) where: Base-Base interactions energy: -395.886 where: short stacking energy: -199.177 Base-Backbone interact. energy: 0.956 local terms energy: -349.028954 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -105.999 flat angles C4'-P-C4' energy: -76.356 flat angles P-C4'-P energy: -59.192 tors. eta vs tors. theta energy: -14.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -486.215877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.215877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.215877 (E_RNA) where: Base-Base interactions energy: -178.167 where: short stacking energy: -143.246 Base-Backbone interact. energy: 3.182 local terms energy: -311.231372 where: bonds (distance) C4'-P energy: -82.986 bonds (distance) P-C4' energy: -92.250 flat angles C4'-P-C4' energy: -90.872 flat angles P-C4'-P energy: -55.481 tors. eta vs tors. theta energy: 10.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1997.459488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.459488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.459488 (E_RNA) where: Base-Base interactions energy: -1345.746 where: short stacking energy: -579.911 Base-Backbone interact. energy: -3.394 local terms energy: -648.319206 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -107.838 flat angles C4'-P-C4' energy: -129.650 flat angles P-C4'-P energy: -101.138 tors. eta vs tors. theta energy: -184.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1981.265729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.265729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.265729 (E_RNA) where: Base-Base interactions energy: -1354.906 where: short stacking energy: -583.593 Base-Backbone interact. energy: -0.613 local terms energy: -625.746514 where: bonds (distance) C4'-P energy: -110.287 bonds (distance) P-C4' energy: -122.123 flat angles C4'-P-C4' energy: -126.511 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -173.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1814.893441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.893441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.893441 (E_RNA) where: Base-Base interactions energy: -1228.841 where: short stacking energy: -536.501 Base-Backbone interact. energy: 0.603 local terms energy: -586.655443 where: bonds (distance) C4'-P energy: -94.129 bonds (distance) P-C4' energy: -111.105 flat angles C4'-P-C4' energy: -133.134 flat angles P-C4'-P energy: -88.769 tors. eta vs tors. theta energy: -159.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1731.279014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.279014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.279014 (E_RNA) where: Base-Base interactions energy: -1171.245 where: short stacking energy: -509.734 Base-Backbone interact. energy: -2.886 local terms energy: -557.148326 where: bonds (distance) C4'-P energy: -83.011 bonds (distance) P-C4' energy: -118.053 flat angles C4'-P-C4' energy: -117.880 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -151.658 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: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1641.733952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.733952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.733952 (E_RNA) where: Base-Base interactions energy: -1123.018 where: short stacking energy: -489.481 Base-Backbone interact. energy: -1.616 local terms energy: -517.099964 where: bonds (distance) C4'-P energy: -83.186 bonds (distance) P-C4' energy: -120.038 flat angles C4'-P-C4' energy: -110.523 flat angles P-C4'-P energy: -70.089 tors. eta vs tors. theta energy: -133.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1547.205626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.205626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.205626 (E_RNA) where: Base-Base interactions energy: -1037.927 where: short stacking energy: -451.945 Base-Backbone interact. energy: -3.398 local terms energy: -505.880569 where: bonds (distance) C4'-P energy: -99.364 bonds (distance) P-C4' energy: -120.374 flat angles C4'-P-C4' energy: -90.658 flat angles P-C4'-P energy: -73.533 tors. eta vs tors. theta energy: -121.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1442.399679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.399679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.399679 (E_RNA) where: Base-Base interactions energy: -991.070 where: short stacking energy: -409.109 Base-Backbone interact. energy: 3.428 local terms energy: -454.757921 where: bonds (distance) C4'-P energy: -91.042 bonds (distance) P-C4' energy: -99.676 flat angles C4'-P-C4' energy: -106.741 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -96.806 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: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1106.575501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.575501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.575501 (E_RNA) where: Base-Base interactions energy: -681.317 where: short stacking energy: -301.036 Base-Backbone interact. energy: -0.421 local terms energy: -424.837463 where: bonds (distance) C4'-P energy: -100.714 bonds (distance) P-C4' energy: -95.493 flat angles C4'-P-C4' energy: -102.590 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -60.090 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: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -761.353305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.353305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.353305 (E_RNA) where: Base-Base interactions energy: -423.926 where: short stacking energy: -234.895 Base-Backbone interact. energy: 1.824 local terms energy: -339.251698 where: bonds (distance) C4'-P energy: -75.326 bonds (distance) P-C4' energy: -92.290 flat angles C4'-P-C4' energy: -84.073 flat angles P-C4'-P energy: -56.501 tors. eta vs tors. theta energy: -31.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -461.426460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.426460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.426460 (E_RNA) where: Base-Base interactions energy: -168.300 where: short stacking energy: -134.630 Base-Backbone interact. energy: -1.094 local terms energy: -292.032931 where: bonds (distance) C4'-P energy: -94.384 bonds (distance) P-C4' energy: -105.805 flat angles C4'-P-C4' energy: -82.543 flat angles P-C4'-P energy: -31.543 tors. eta vs tors. theta energy: 22.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2010.687586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.687586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.687586 (E_RNA) where: Base-Base interactions energy: -1355.063 where: short stacking energy: -622.401 Base-Backbone interact. energy: -4.368 local terms energy: -651.255923 where: bonds (distance) C4'-P energy: -118.489 bonds (distance) P-C4' energy: -117.136 flat angles C4'-P-C4' energy: -139.271 flat angles P-C4'-P energy: -91.969 tors. eta vs tors. theta energy: -184.390 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: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1988.262592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.262592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.262592 (E_RNA) where: Base-Base interactions energy: -1363.638 where: short stacking energy: -602.479 Base-Backbone interact. energy: 2.835 local terms energy: -627.460032 where: bonds (distance) C4'-P energy: -109.049 bonds (distance) P-C4' energy: -114.779 flat angles C4'-P-C4' energy: -129.456 flat angles P-C4'-P energy: -89.583 tors. eta vs tors. theta energy: -184.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1823.861351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.861351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.861351 (E_RNA) where: Base-Base interactions energy: -1229.001 where: short stacking energy: -542.065 Base-Backbone interact. energy: -3.691 local terms energy: -591.168941 where: bonds (distance) C4'-P energy: -106.256 bonds (distance) P-C4' energy: -115.758 flat angles C4'-P-C4' energy: -121.662 flat angles P-C4'-P energy: -86.119 tors. eta vs tors. theta energy: -161.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1710.730918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.730918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.730918 (E_RNA) where: Base-Base interactions energy: -1159.815 where: short stacking energy: -501.344 Base-Backbone interact. energy: -3.756 local terms energy: -547.159111 where: bonds (distance) C4'-P energy: -102.253 bonds (distance) P-C4' energy: -116.359 flat angles C4'-P-C4' energy: -118.347 flat angles P-C4'-P energy: -76.828 tors. eta vs tors. theta energy: -133.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1656.196341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.196341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.196341 (E_RNA) where: Base-Base interactions energy: -1113.350 where: short stacking energy: -466.954 Base-Backbone interact. energy: 0.031 local terms energy: -542.877331 where: bonds (distance) C4'-P energy: -119.215 bonds (distance) P-C4' energy: -112.678 flat angles C4'-P-C4' energy: -111.139 flat angles P-C4'-P energy: -74.040 tors. eta vs tors. theta energy: -125.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1522.373863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.373863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.373863 (E_RNA) where: Base-Base interactions energy: -1016.936 where: short stacking energy: -449.305 Base-Backbone interact. energy: 7.676 local terms energy: -513.113722 where: bonds (distance) C4'-P energy: -105.230 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -121.414 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -109.447 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: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1463.913690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.913690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.913690 (E_RNA) where: Base-Base interactions energy: -961.215 where: short stacking energy: -416.016 Base-Backbone interact. energy: -3.084 local terms energy: -499.614541 where: bonds (distance) C4'-P energy: -94.061 bonds (distance) P-C4' energy: -102.199 flat angles C4'-P-C4' energy: -106.739 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -117.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1124.538920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.538920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.538920 (E_RNA) where: Base-Base interactions energy: -707.055 where: short stacking energy: -331.504 Base-Backbone interact. energy: -1.231 local terms energy: -416.253184 where: bonds (distance) C4'-P energy: -97.188 bonds (distance) P-C4' energy: -91.463 flat angles C4'-P-C4' energy: -103.688 flat angles P-C4'-P energy: -61.240 tors. eta vs tors. theta energy: -62.674 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: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -762.844053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.844053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.844053 (E_RNA) where: Base-Base interactions energy: -428.849 where: short stacking energy: -248.674 Base-Backbone interact. energy: -2.559 local terms energy: -331.435465 where: bonds (distance) C4'-P energy: -87.378 bonds (distance) P-C4' energy: -79.948 flat angles C4'-P-C4' energy: -84.131 flat angles P-C4'-P energy: -56.721 tors. eta vs tors. theta energy: -23.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -452.845320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.845320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.845320 (E_RNA) where: Base-Base interactions energy: -157.841 where: short stacking energy: -118.685 Base-Backbone interact. energy: -2.737 local terms energy: -292.267137 where: bonds (distance) C4'-P energy: -98.019 bonds (distance) P-C4' energy: -93.256 flat angles C4'-P-C4' energy: -66.248 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: 16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2007.331094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.331094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.331094 (E_RNA) where: Base-Base interactions energy: -1371.711 where: short stacking energy: -604.348 Base-Backbone interact. energy: -1.992 local terms energy: -633.628073 where: bonds (distance) C4'-P energy: -113.944 bonds (distance) P-C4' energy: -115.208 flat angles C4'-P-C4' energy: -140.394 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -170.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1984.766125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.766125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.766125 (E_RNA) where: Base-Base interactions energy: -1363.273 where: short stacking energy: -583.704 Base-Backbone interact. energy: -0.904 local terms energy: -620.588697 where: bonds (distance) C4'-P energy: -111.722 bonds (distance) P-C4' energy: -111.423 flat angles C4'-P-C4' energy: -139.861 flat angles P-C4'-P energy: -88.383 tors. eta vs tors. theta energy: -169.200 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: 430 Temperature: 1.000000 Total energy: -1844.832199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.832199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.832199 (E_RNA) where: Base-Base interactions energy: -1262.692 where: short stacking energy: -532.672 Base-Backbone interact. energy: -4.055 local terms energy: -578.085076 where: bonds (distance) C4'-P energy: -100.544 bonds (distance) P-C4' energy: -98.703 flat angles C4'-P-C4' energy: -133.661 flat angles P-C4'-P energy: -86.791 tors. eta vs tors. theta energy: -158.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1673.103913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.103913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.103913 (E_RNA) where: Base-Base interactions energy: -1108.109 where: short stacking energy: -457.097 Base-Backbone interact. energy: -3.864 local terms energy: -561.131544 where: bonds (distance) C4'-P energy: -106.372 bonds (distance) P-C4' energy: -111.771 flat angles C4'-P-C4' energy: -125.216 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -136.117 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: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1681.041416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.041416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.041416 (E_RNA) where: Base-Base interactions energy: -1120.302 where: short stacking energy: -481.030 Base-Backbone interact. energy: -2.213 local terms energy: -558.525684 where: bonds (distance) C4'-P energy: -98.627 bonds (distance) P-C4' energy: -114.865 flat angles C4'-P-C4' energy: -125.983 flat angles P-C4'-P energy: -78.040 tors. eta vs tors. theta energy: -141.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1571.278430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.278430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.278430 (E_RNA) where: Base-Base interactions energy: -1059.511 where: short stacking energy: -454.827 Base-Backbone interact. energy: 1.775 local terms energy: -513.541979 where: bonds (distance) C4'-P energy: -107.277 bonds (distance) P-C4' energy: -103.399 flat angles C4'-P-C4' energy: -112.791 flat angles P-C4'-P energy: -58.404 tors. eta vs tors. theta energy: -131.672 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: 430 Temperature: 1.200000 Total energy: -1383.533485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.533485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.533485 (E_RNA) where: Base-Base interactions energy: -900.035 where: short stacking energy: -414.479 Base-Backbone interact. energy: 1.999 local terms energy: -485.496835 where: bonds (distance) C4'-P energy: -100.952 bonds (distance) P-C4' energy: -95.287 flat angles C4'-P-C4' energy: -106.793 flat angles P-C4'-P energy: -79.133 tors. eta vs tors. theta energy: -103.333 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: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1051.064744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.064744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.064744 (E_RNA) where: Base-Base interactions energy: -628.664 where: short stacking energy: -313.466 Base-Backbone interact. energy: -2.094 local terms energy: -420.306638 where: bonds (distance) C4'-P energy: -100.179 bonds (distance) P-C4' energy: -117.684 flat angles C4'-P-C4' energy: -99.554 flat angles P-C4'-P energy: -56.399 tors. eta vs tors. theta energy: -46.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -827.160609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.160609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.160609 (E_RNA) where: Base-Base interactions energy: -487.522 where: short stacking energy: -227.366 Base-Backbone interact. energy: -2.136 local terms energy: -337.502894 where: bonds (distance) C4'-P energy: -84.079 bonds (distance) P-C4' energy: -81.012 flat angles C4'-P-C4' energy: -80.961 flat angles P-C4'-P energy: -63.651 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: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -443.900268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.900268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.900268 (E_RNA) where: Base-Base interactions energy: -164.784 where: short stacking energy: -139.089 Base-Backbone interact. energy: 0.984 local terms energy: -280.100249 where: bonds (distance) C4'-P energy: -93.122 bonds (distance) P-C4' energy: -91.369 flat angles C4'-P-C4' energy: -71.552 flat angles P-C4'-P energy: -45.656 tors. eta vs tors. theta energy: 21.599 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: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1993.935749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.935749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.935749 (E_RNA) where: Base-Base interactions energy: -1375.519 where: short stacking energy: -608.140 Base-Backbone interact. energy: -3.465 local terms energy: -614.950798 where: bonds (distance) C4'-P energy: -105.973 bonds (distance) P-C4' energy: -120.348 flat angles C4'-P-C4' energy: -135.782 flat angles P-C4'-P energy: -83.584 tors. eta vs tors. theta energy: -169.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1975.959647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.959647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.959647 (E_RNA) where: Base-Base interactions energy: -1383.417 where: short stacking energy: -609.146 Base-Backbone interact. energy: 2.392 local terms energy: -594.934711 where: bonds (distance) C4'-P energy: -117.458 bonds (distance) P-C4' energy: -104.856 flat angles C4'-P-C4' energy: -120.485 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -167.213 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: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1836.167071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.167071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.167071 (E_RNA) where: Base-Base interactions energy: -1241.102 where: short stacking energy: -526.866 Base-Backbone interact. energy: -3.293 local terms energy: -591.772096 where: bonds (distance) C4'-P energy: -103.930 bonds (distance) P-C4' energy: -122.524 flat angles C4'-P-C4' energy: -128.146 flat angles P-C4'-P energy: -78.501 tors. eta vs tors. theta energy: -158.670 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: 10 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1729.335117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.335117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.335117 (E_RNA) where: Base-Base interactions energy: -1152.721 where: short stacking energy: -507.050 Base-Backbone interact. energy: -2.343 local terms energy: -574.271127 where: bonds (distance) C4'-P energy: -100.789 bonds (distance) P-C4' energy: -118.541 flat angles C4'-P-C4' energy: -128.419 flat angles P-C4'-P energy: -78.932 tors. eta vs tors. theta energy: -147.591 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: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1652.157550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.157550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.157550 (E_RNA) where: Base-Base interactions energy: -1138.296 where: short stacking energy: -474.302 Base-Backbone interact. energy: -1.701 local terms energy: -512.161294 where: bonds (distance) C4'-P energy: -96.028 bonds (distance) P-C4' energy: -114.016 flat angles C4'-P-C4' energy: -117.332 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: -119.640 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: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1525.363114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.363114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.363114 (E_RNA) where: Base-Base interactions energy: -1037.447 where: short stacking energy: -452.545 Base-Backbone interact. energy: -1.526 local terms energy: -486.390294 where: bonds (distance) C4'-P energy: -95.008 bonds (distance) P-C4' energy: -100.227 flat angles C4'-P-C4' energy: -115.249 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -104.636 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: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1375.492669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.492669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.492669 (E_RNA) where: Base-Base interactions energy: -914.831 where: short stacking energy: -393.993 Base-Backbone interact. energy: -2.042 local terms energy: -458.620108 where: bonds (distance) C4'-P energy: -99.529 bonds (distance) P-C4' energy: -111.274 flat angles C4'-P-C4' energy: -95.067 flat angles P-C4'-P energy: -56.714 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: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1042.307032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.307032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.307032 (E_RNA) where: Base-Base interactions energy: -634.959 where: short stacking energy: -296.373 Base-Backbone interact. energy: -3.765 local terms energy: -403.582891 where: bonds (distance) C4'-P energy: -102.123 bonds (distance) P-C4' energy: -82.239 flat angles C4'-P-C4' energy: -95.701 flat angles P-C4'-P energy: -58.737 tors. eta vs tors. theta energy: -64.783 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: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -837.145014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.145014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.145014 (E_RNA) where: Base-Base interactions energy: -492.431 where: short stacking energy: -247.061 Base-Backbone interact. energy: 0.793 local terms energy: -345.507146 where: bonds (distance) C4'-P energy: -105.870 bonds (distance) P-C4' energy: -86.130 flat angles C4'-P-C4' energy: -81.457 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -25.040 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: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -454.603960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.603960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.603960 (E_RNA) where: Base-Base interactions energy: -173.621 where: short stacking energy: -151.237 Base-Backbone interact. energy: -1.979 local terms energy: -279.004383 where: bonds (distance) C4'-P energy: -68.246 bonds (distance) P-C4' energy: -96.618 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: 4.062 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: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1986.924135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.924135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.924135 (E_RNA) where: Base-Base interactions energy: -1367.135 where: short stacking energy: -598.243 Base-Backbone interact. energy: -2.719 local terms energy: -617.070159 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -112.178 flat angles C4'-P-C4' energy: -133.748 flat angles P-C4'-P energy: -80.071 tors. eta vs tors. theta energy: -179.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1997.962778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.962778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.962778 (E_RNA) where: Base-Base interactions energy: -1369.881 where: short stacking energy: -584.023 Base-Backbone interact. energy: 3.820 local terms energy: -631.901428 where: bonds (distance) C4'-P energy: -114.146 bonds (distance) P-C4' energy: -115.158 flat angles C4'-P-C4' energy: -131.656 flat angles P-C4'-P energy: -98.552 tors. eta vs tors. theta energy: -172.389 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: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1861.280204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.280204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.280204 (E_RNA) where: Base-Base interactions energy: -1259.817 where: short stacking energy: -547.652 Base-Backbone interact. energy: -6.390 local terms energy: -595.072522 where: bonds (distance) C4'-P energy: -113.994 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -116.036 flat angles P-C4'-P energy: -73.942 tors. eta vs tors. theta energy: -171.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1690.353454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.353454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.353454 (E_RNA) where: Base-Base interactions energy: -1158.424 where: short stacking energy: -522.501 Base-Backbone interact. energy: 3.210 local terms energy: -535.139343 where: bonds (distance) C4'-P energy: -102.036 bonds (distance) P-C4' energy: -92.701 flat angles C4'-P-C4' energy: -126.360 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: -140.369 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: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1643.159984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.159984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.159984 (E_RNA) where: Base-Base interactions energy: -1134.522 where: short stacking energy: -476.277 Base-Backbone interact. energy: -0.175 local terms energy: -508.462537 where: bonds (distance) C4'-P energy: -92.869 bonds (distance) P-C4' energy: -114.347 flat angles C4'-P-C4' energy: -110.460 flat angles P-C4'-P energy: -60.789 tors. eta vs tors. theta energy: -129.998 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: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1552.483527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.483527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.483527 (E_RNA) where: Base-Base interactions energy: -1054.104 where: short stacking energy: -459.994 Base-Backbone interact. energy: -1.826 local terms energy: -496.553091 where: bonds (distance) C4'-P energy: -107.013 bonds (distance) P-C4' energy: -100.602 flat angles C4'-P-C4' energy: -96.264 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -125.135 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: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1296.098977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.098977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.098977 (E_RNA) where: Base-Base interactions energy: -831.241 where: short stacking energy: -383.692 Base-Backbone interact. energy: -1.046 local terms energy: -463.812286 where: bonds (distance) C4'-P energy: -96.015 bonds (distance) P-C4' energy: -84.071 flat angles C4'-P-C4' energy: -111.545 flat angles P-C4'-P energy: -74.396 tors. eta vs tors. theta energy: -97.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -950.316212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.316212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.316212 (E_RNA) where: Base-Base interactions energy: -571.655 where: short stacking energy: -269.107 Base-Backbone interact. energy: -1.848 local terms energy: -376.812548 where: bonds (distance) C4'-P energy: -93.518 bonds (distance) P-C4' energy: -101.193 flat angles C4'-P-C4' energy: -87.728 flat angles P-C4'-P energy: -58.655 tors. eta vs tors. theta energy: -35.719 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: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -798.841194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.841194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.841194 (E_RNA) where: Base-Base interactions energy: -484.088 where: short stacking energy: -242.397 Base-Backbone interact. energy: 5.663 local terms energy: -320.416396 where: bonds (distance) C4'-P energy: -91.463 bonds (distance) P-C4' energy: -78.779 flat angles C4'-P-C4' energy: -69.422 flat angles P-C4'-P energy: -60.714 tors. eta vs tors. theta energy: -20.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -455.130846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.130846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.130846 (E_RNA) where: Base-Base interactions energy: -147.823 where: short stacking energy: -111.275 Base-Backbone interact. energy: 0.792 local terms energy: -308.099971 where: bonds (distance) C4'-P energy: -85.857 bonds (distance) P-C4' energy: -103.397 flat angles C4'-P-C4' energy: -89.208 flat angles P-C4'-P energy: -45.423 tors. eta vs tors. theta energy: 15.785 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: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2002.970196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.970196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.970196 (E_RNA) where: Base-Base interactions energy: -1383.938 where: short stacking energy: -616.570 Base-Backbone interact. energy: -0.895 local terms energy: -618.137787 where: bonds (distance) C4'-P energy: -112.853 bonds (distance) P-C4' energy: -117.861 flat angles C4'-P-C4' energy: -124.273 flat angles P-C4'-P energy: -89.521 tors. eta vs tors. theta energy: -173.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2003.827382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.827382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.827382 (E_RNA) where: Base-Base interactions energy: -1379.689 where: short stacking energy: -590.611 Base-Backbone interact. energy: -2.137 local terms energy: -622.001408 where: bonds (distance) C4'-P energy: -118.208 bonds (distance) P-C4' energy: -119.020 flat angles C4'-P-C4' energy: -129.205 flat angles P-C4'-P energy: -89.785 tors. eta vs tors. theta energy: -165.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1838.165550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.165550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.165550 (E_RNA) where: Base-Base interactions energy: -1247.169 where: short stacking energy: -563.674 Base-Backbone interact. energy: 1.267 local terms energy: -592.263160 where: bonds (distance) C4'-P energy: -98.553 bonds (distance) P-C4' energy: -105.338 flat angles C4'-P-C4' energy: -129.537 flat angles P-C4'-P energy: -85.561 tors. eta vs tors. theta energy: -173.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1715.411972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.411972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.411972 (E_RNA) where: Base-Base interactions energy: -1148.164 where: short stacking energy: -492.872 Base-Backbone interact. energy: 0.868 local terms energy: -568.115745 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -124.521 flat angles C4'-P-C4' energy: -116.722 flat angles P-C4'-P energy: -78.887 tors. eta vs tors. theta energy: -138.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1618.988116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.988116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.988116 (E_RNA) where: Base-Base interactions energy: -1074.684 where: short stacking energy: -454.750 Base-Backbone interact. energy: -3.536 local terms energy: -540.768348 where: bonds (distance) C4'-P energy: -100.056 bonds (distance) P-C4' energy: -116.303 flat angles C4'-P-C4' energy: -124.178 flat angles P-C4'-P energy: -65.390 tors. eta vs tors. theta energy: -134.841 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: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1522.417712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.417712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.417712 (E_RNA) where: Base-Base interactions energy: -1012.379 where: short stacking energy: -420.562 Base-Backbone interact. energy: -0.100 local terms energy: -509.939328 where: bonds (distance) C4'-P energy: -109.414 bonds (distance) P-C4' energy: -94.527 flat angles C4'-P-C4' energy: -116.006 flat angles P-C4'-P energy: -84.281 tors. eta vs tors. theta energy: -105.711 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: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1323.986652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.986652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.986652 (E_RNA) where: Base-Base interactions energy: -868.621 where: short stacking energy: -387.604 Base-Backbone interact. energy: -2.131 local terms energy: -453.234784 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -102.696 flat angles C4'-P-C4' energy: -100.853 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: -95.239 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: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -884.556807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.556807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.556807 (E_RNA) where: Base-Base interactions energy: -507.307 where: short stacking energy: -243.791 Base-Backbone interact. energy: -1.691 local terms energy: -375.558877 where: bonds (distance) C4'-P energy: -89.953 bonds (distance) P-C4' energy: -108.840 flat angles C4'-P-C4' energy: -96.591 flat angles P-C4'-P energy: -47.197 tors. eta vs tors. theta energy: -32.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -911.456624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.456624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.456624 (E_RNA) where: Base-Base interactions energy: -530.404 where: short stacking energy: -280.648 Base-Backbone interact. energy: -0.309 local terms energy: -380.743546 where: bonds (distance) C4'-P energy: -95.144 bonds (distance) P-C4' energy: -100.293 flat angles C4'-P-C4' energy: -98.482 flat angles P-C4'-P energy: -47.096 tors. eta vs tors. theta energy: -39.729 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: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -455.378717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.378717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.378717 (E_RNA) where: Base-Base interactions energy: -172.208 where: short stacking energy: -154.813 Base-Backbone interact. energy: 2.413 local terms energy: -285.583066 where: bonds (distance) C4'-P energy: -89.195 bonds (distance) P-C4' energy: -89.159 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -50.063 tors. eta vs tors. theta energy: 14.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2035.666153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.666153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.666153 (E_RNA) where: Base-Base interactions energy: -1408.342 where: short stacking energy: -617.607 Base-Backbone interact. energy: -2.018 local terms energy: -625.306521 where: bonds (distance) C4'-P energy: -104.767 bonds (distance) P-C4' energy: -118.747 flat angles C4'-P-C4' energy: -134.015 flat angles P-C4'-P energy: -90.565 tors. eta vs tors. theta energy: -177.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1967.877976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.877976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.877976 (E_RNA) where: Base-Base interactions energy: -1353.462 where: short stacking energy: -593.692 Base-Backbone interact. energy: -2.448 local terms energy: -611.967449 where: bonds (distance) C4'-P energy: -97.264 bonds (distance) P-C4' energy: -113.844 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -93.145 tors. eta vs tors. theta energy: -180.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1811.931071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.931071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.931071 (E_RNA) where: Base-Base interactions energy: -1208.288 where: short stacking energy: -511.952 Base-Backbone interact. energy: -3.714 local terms energy: -599.929268 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -107.965 flat angles C4'-P-C4' energy: -122.139 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -168.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1749.588104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.588104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.588104 (E_RNA) where: Base-Base interactions energy: -1189.655 where: short stacking energy: -516.445 Base-Backbone interact. energy: -3.676 local terms energy: -556.257024 where: bonds (distance) C4'-P energy: -88.708 bonds (distance) P-C4' energy: -114.257 flat angles C4'-P-C4' energy: -119.865 flat angles P-C4'-P energy: -87.170 tors. eta vs tors. theta energy: -146.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1638.177278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.177278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.177278 (E_RNA) where: Base-Base interactions energy: -1084.063 where: short stacking energy: -494.118 Base-Backbone interact. energy: -0.168 local terms energy: -553.946549 where: bonds (distance) C4'-P energy: -101.270 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -127.708 flat angles P-C4'-P energy: -73.630 tors. eta vs tors. theta energy: -131.896 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: 8 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1559.880334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.880334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.880334 (E_RNA) where: Base-Base interactions energy: -1041.922 where: short stacking energy: -439.213 Base-Backbone interact. energy: -2.112 local terms energy: -515.846499 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -93.742 flat angles C4'-P-C4' energy: -122.026 flat angles P-C4'-P energy: -65.653 tors. eta vs tors. theta energy: -129.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1317.914118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.914118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.914118 (E_RNA) where: Base-Base interactions energy: -826.882 where: short stacking energy: -384.411 Base-Backbone interact. energy: -0.434 local terms energy: -490.598079 where: bonds (distance) C4'-P energy: -86.949 bonds (distance) P-C4' energy: -111.819 flat angles C4'-P-C4' energy: -111.917 flat angles P-C4'-P energy: -76.606 tors. eta vs tors. theta energy: -103.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -948.717678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.717678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.717678 (E_RNA) where: Base-Base interactions energy: -568.313 where: short stacking energy: -288.088 Base-Backbone interact. energy: -2.564 local terms energy: -377.839926 where: bonds (distance) C4'-P energy: -91.722 bonds (distance) P-C4' energy: -86.365 flat angles C4'-P-C4' energy: -77.647 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -54.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -893.684487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.684487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.684487 (E_RNA) where: Base-Base interactions energy: -526.615 where: short stacking energy: -265.906 Base-Backbone interact. energy: 3.144 local terms energy: -370.213671 where: bonds (distance) C4'-P energy: -75.952 bonds (distance) P-C4' energy: -93.291 flat angles C4'-P-C4' energy: -94.233 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -53.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -453.874681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.874681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.874681 (E_RNA) where: Base-Base interactions energy: -179.245 where: short stacking energy: -133.308 Base-Backbone interact. energy: 2.923 local terms energy: -277.552892 where: bonds (distance) C4'-P energy: -91.683 bonds (distance) P-C4' energy: -88.026 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -38.091 tors. eta vs tors. theta energy: 13.058 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: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2023.344059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.344059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.344059 (E_RNA) where: Base-Base interactions energy: -1382.566 where: short stacking energy: -603.241 Base-Backbone interact. energy: -1.031 local terms energy: -639.746927 where: bonds (distance) C4'-P energy: -112.799 bonds (distance) P-C4' energy: -124.071 flat angles C4'-P-C4' energy: -127.423 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -179.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1989.804384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.804384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.804384 (E_RNA) where: Base-Base interactions energy: -1366.445 where: short stacking energy: -587.496 Base-Backbone interact. energy: -2.251 local terms energy: -621.107668 where: bonds (distance) C4'-P energy: -108.362 bonds (distance) P-C4' energy: -113.277 flat angles C4'-P-C4' energy: -127.484 flat angles P-C4'-P energy: -94.660 tors. eta vs tors. theta energy: -177.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1844.107355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.107355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.107355 (E_RNA) where: Base-Base interactions energy: -1246.308 where: short stacking energy: -543.255 Base-Backbone interact. energy: -2.774 local terms energy: -595.025437 where: bonds (distance) C4'-P energy: -113.078 bonds (distance) P-C4' energy: -112.296 flat angles C4'-P-C4' energy: -129.940 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -170.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1713.870715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.870715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.870715 (E_RNA) where: Base-Base interactions energy: -1152.432 where: short stacking energy: -499.554 Base-Backbone interact. energy: -0.954 local terms energy: -560.484430 where: bonds (distance) C4'-P energy: -101.828 bonds (distance) P-C4' energy: -119.183 flat angles C4'-P-C4' energy: -119.421 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: -139.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1630.401493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.401493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.401493 (E_RNA) where: Base-Base interactions energy: -1123.803 where: short stacking energy: -502.242 Base-Backbone interact. energy: 0.604 local terms energy: -507.201782 where: bonds (distance) C4'-P energy: -83.051 bonds (distance) P-C4' energy: -102.951 flat angles C4'-P-C4' energy: -119.775 flat angles P-C4'-P energy: -78.518 tors. eta vs tors. theta energy: -122.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1539.834603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.834603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.834603 (E_RNA) where: Base-Base interactions energy: -1035.278 where: short stacking energy: -428.332 Base-Backbone interact. energy: -1.858 local terms energy: -502.698876 where: bonds (distance) C4'-P energy: -92.411 bonds (distance) P-C4' energy: -105.593 flat angles C4'-P-C4' energy: -125.711 flat angles P-C4'-P energy: -70.391 tors. eta vs tors. theta energy: -108.593 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1294.567147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.567147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.567147 (E_RNA) where: Base-Base interactions energy: -829.913 where: short stacking energy: -348.481 Base-Backbone interact. energy: -1.176 local terms energy: -463.477812 where: bonds (distance) C4'-P energy: -117.477 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -101.197 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -91.076 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: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -954.222581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.222581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.222581 (E_RNA) where: Base-Base interactions energy: -558.139 where: short stacking energy: -271.255 Base-Backbone interact. energy: 1.650 local terms energy: -397.733540 where: bonds (distance) C4'-P energy: -101.474 bonds (distance) P-C4' energy: -98.181 flat angles C4'-P-C4' energy: -98.895 flat angles P-C4'-P energy: -51.722 tors. eta vs tors. theta energy: -47.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -910.272014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.272014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.272014 (E_RNA) where: Base-Base interactions energy: -517.274 where: short stacking energy: -245.213 Base-Backbone interact. energy: -0.267 local terms energy: -392.731448 where: bonds (distance) C4'-P energy: -100.968 bonds (distance) P-C4' energy: -92.964 flat angles C4'-P-C4' energy: -81.312 flat angles P-C4'-P energy: -74.623 tors. eta vs tors. theta energy: -42.865 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: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -449.030772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.030772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.030772 (E_RNA) where: Base-Base interactions energy: -162.440 where: short stacking energy: -135.349 Base-Backbone interact. energy: 2.193 local terms energy: -288.783755 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -99.545 flat angles C4'-P-C4' energy: -73.395 flat angles P-C4'-P energy: -38.406 tors. eta vs tors. theta energy: 19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2023.494508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.494508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.494508 (E_RNA) where: Base-Base interactions energy: -1383.699 where: short stacking energy: -606.146 Base-Backbone interact. energy: -3.660 local terms energy: -636.135338 where: bonds (distance) C4'-P energy: -124.013 bonds (distance) P-C4' energy: -111.917 flat angles C4'-P-C4' energy: -131.748 flat angles P-C4'-P energy: -82.592 tors. eta vs tors. theta energy: -185.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1960.714681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.714681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.714681 (E_RNA) where: Base-Base interactions energy: -1375.642 where: short stacking energy: -587.921 Base-Backbone interact. energy: -3.282 local terms energy: -581.790382 where: bonds (distance) C4'-P energy: -90.681 bonds (distance) P-C4' energy: -119.420 flat angles C4'-P-C4' energy: -128.635 flat angles P-C4'-P energy: -75.247 tors. eta vs tors. theta energy: -167.808 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: 436 Temperature: 1.000000 Total energy: -1781.394675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.394675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.394675 (E_RNA) where: Base-Base interactions energy: -1193.040 where: short stacking energy: -536.349 Base-Backbone interact. energy: -4.259 local terms energy: -584.095610 where: bonds (distance) C4'-P energy: -103.546 bonds (distance) P-C4' energy: -116.240 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -74.880 tors. eta vs tors. theta energy: -163.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1702.423724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.423724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.423724 (E_RNA) where: Base-Base interactions energy: -1179.078 where: short stacking energy: -507.395 Base-Backbone interact. energy: -3.168 local terms energy: -520.177456 where: bonds (distance) C4'-P energy: -103.813 bonds (distance) P-C4' energy: -88.710 flat angles C4'-P-C4' energy: -111.492 flat angles P-C4'-P energy: -74.359 tors. eta vs tors. theta energy: -141.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1619.925765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.925765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.925765 (E_RNA) where: Base-Base interactions energy: -1068.725 where: short stacking energy: -458.879 Base-Backbone interact. energy: -1.462 local terms energy: -549.738289 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -105.053 flat angles C4'-P-C4' energy: -120.618 flat angles P-C4'-P energy: -88.232 tors. eta vs tors. theta energy: -117.580 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: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1551.814599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.814599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.814599 (E_RNA) where: Base-Base interactions energy: -1034.195 where: short stacking energy: -412.057 Base-Backbone interact. energy: -1.949 local terms energy: -515.670770 where: bonds (distance) C4'-P energy: -91.821 bonds (distance) P-C4' energy: -117.249 flat angles C4'-P-C4' energy: -112.493 flat angles P-C4'-P energy: -70.052 tors. eta vs tors. theta energy: -124.055 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: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1303.725766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.725766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.725766 (E_RNA) where: Base-Base interactions energy: -845.874 where: short stacking energy: -374.075 Base-Backbone interact. energy: 0.005 local terms energy: -457.857345 where: bonds (distance) C4'-P energy: -102.003 bonds (distance) P-C4' energy: -96.742 flat angles C4'-P-C4' energy: -105.481 flat angles P-C4'-P energy: -65.943 tors. eta vs tors. theta energy: -87.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -904.400015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.400015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.400015 (E_RNA) where: Base-Base interactions energy: -511.764 where: short stacking energy: -258.493 Base-Backbone interact. energy: -6.653 local terms energy: -385.983413 where: bonds (distance) C4'-P energy: -93.836 bonds (distance) P-C4' energy: -85.224 flat angles C4'-P-C4' energy: -96.199 flat angles P-C4'-P energy: -70.533 tors. eta vs tors. theta energy: -40.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -946.548412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.548412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.548412 (E_RNA) where: Base-Base interactions energy: -584.062 where: short stacking energy: -276.322 Base-Backbone interact. energy: -1.476 local terms energy: -361.010452 where: bonds (distance) C4'-P energy: -87.636 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -56.200 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: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -507.523356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.523356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.523356 (E_RNA) where: Base-Base interactions energy: -211.249 where: short stacking energy: -151.773 Base-Backbone interact. energy: -3.027 local terms energy: -293.247701 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -91.702 flat angles C4'-P-C4' energy: -73.942 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: 13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2055.395473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.395473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.395473 (E_RNA) where: Base-Base interactions energy: -1396.597 where: short stacking energy: -617.042 Base-Backbone interact. energy: -3.090 local terms energy: -655.708680 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -120.171 flat angles C4'-P-C4' energy: -137.295 flat angles P-C4'-P energy: -91.845 tors. eta vs tors. theta energy: -184.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1971.281043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.281043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.281043 (E_RNA) where: Base-Base interactions energy: -1367.069 where: short stacking energy: -587.063 Base-Backbone interact. energy: -2.460 local terms energy: -601.751239 where: bonds (distance) C4'-P energy: -93.165 bonds (distance) P-C4' energy: -126.453 flat angles C4'-P-C4' energy: -122.785 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -172.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1865.033570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.033570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.033570 (E_RNA) where: Base-Base interactions energy: -1277.056 where: short stacking energy: -553.281 Base-Backbone interact. energy: -1.676 local terms energy: -586.301466 where: bonds (distance) C4'-P energy: -109.511 bonds (distance) P-C4' energy: -99.077 flat angles C4'-P-C4' energy: -123.794 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -166.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1678.371282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.371282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.371282 (E_RNA) where: Base-Base interactions energy: -1130.731 where: short stacking energy: -506.732 Base-Backbone interact. energy: -2.605 local terms energy: -545.035333 where: bonds (distance) C4'-P energy: -109.086 bonds (distance) P-C4' energy: -90.449 flat angles C4'-P-C4' energy: -121.593 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -143.825 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: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1681.544220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.544220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.544220 (E_RNA) where: Base-Base interactions energy: -1129.258 where: short stacking energy: -484.187 Base-Backbone interact. energy: -2.753 local terms energy: -549.532945 where: bonds (distance) C4'-P energy: -98.138 bonds (distance) P-C4' energy: -122.934 flat angles C4'-P-C4' energy: -125.257 flat angles P-C4'-P energy: -79.281 tors. eta vs tors. theta energy: -123.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1580.676497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.676497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.676497 (E_RNA) where: Base-Base interactions energy: -1060.230 where: short stacking energy: -476.184 Base-Backbone interact. energy: -2.634 local terms energy: -517.812053 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -114.495 flat angles C4'-P-C4' energy: -107.236 flat angles P-C4'-P energy: -66.267 tors. eta vs tors. theta energy: -118.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1329.401723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.401723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.401723 (E_RNA) where: Base-Base interactions energy: -868.578 where: short stacking energy: -394.432 Base-Backbone interact. energy: 5.041 local terms energy: -465.864255 where: bonds (distance) C4'-P energy: -81.510 bonds (distance) P-C4' energy: -91.815 flat angles C4'-P-C4' energy: -95.943 flat angles P-C4'-P energy: -84.125 tors. eta vs tors. theta energy: -112.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1028.383955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.383955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.383955 (E_RNA) where: Base-Base interactions energy: -615.483 where: short stacking energy: -318.963 Base-Backbone interact. energy: -2.256 local terms energy: -410.644947 where: bonds (distance) C4'-P energy: -90.560 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -100.097 flat angles P-C4'-P energy: -56.962 tors. eta vs tors. theta energy: -68.640 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: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -915.442657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.442657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.442657 (E_RNA) where: Base-Base interactions energy: -531.562 where: short stacking energy: -241.048 Base-Backbone interact. energy: 3.561 local terms energy: -387.442230 where: bonds (distance) C4'-P energy: -83.514 bonds (distance) P-C4' energy: -116.610 flat angles C4'-P-C4' energy: -83.499 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -44.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -496.356516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.356516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.356516 (E_RNA) where: Base-Base interactions energy: -211.688 where: short stacking energy: -166.801 Base-Backbone interact. energy: -1.791 local terms energy: -282.877346 where: bonds (distance) C4'-P energy: -98.515 bonds (distance) P-C4' energy: -102.905 flat angles C4'-P-C4' energy: -71.839 flat angles P-C4'-P energy: -16.953 tors. eta vs tors. theta energy: 7.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2017.997547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.997547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.997547 (E_RNA) where: Base-Base interactions energy: -1392.982 where: short stacking energy: -627.415 Base-Backbone interact. energy: -3.052 local terms energy: -621.963897 where: bonds (distance) C4'-P energy: -102.112 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -129.762 flat angles P-C4'-P energy: -90.106 tors. eta vs tors. theta energy: -183.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2009.585766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.585766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.585766 (E_RNA) where: Base-Base interactions energy: -1379.334 where: short stacking energy: -594.546 Base-Backbone interact. energy: -2.796 local terms energy: -627.455348 where: bonds (distance) C4'-P energy: -113.424 bonds (distance) P-C4' energy: -109.247 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -93.914 tors. eta vs tors. theta energy: -180.851 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: 438 Temperature: 1.000000 Total energy: -1843.385474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.385474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.385474 (E_RNA) where: Base-Base interactions energy: -1262.482 where: short stacking energy: -550.011 Base-Backbone interact. energy: -1.482 local terms energy: -579.422057 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -99.058 flat angles C4'-P-C4' energy: -117.804 flat angles P-C4'-P energy: -82.137 tors. eta vs tors. theta energy: -168.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1692.413717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.413717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.413717 (E_RNA) where: Base-Base interactions energy: -1124.238 where: short stacking energy: -452.257 Base-Backbone interact. energy: -2.963 local terms energy: -565.212457 where: bonds (distance) C4'-P energy: -115.145 bonds (distance) P-C4' energy: -114.247 flat angles C4'-P-C4' energy: -129.321 flat angles P-C4'-P energy: -77.086 tors. eta vs tors. theta energy: -129.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1682.841433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.841433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.841433 (E_RNA) where: Base-Base interactions energy: -1162.725 where: short stacking energy: -471.130 Base-Backbone interact. energy: 0.021 local terms energy: -520.137137 where: bonds (distance) C4'-P energy: -102.489 bonds (distance) P-C4' energy: -94.877 flat angles C4'-P-C4' energy: -114.009 flat angles P-C4'-P energy: -68.337 tors. eta vs tors. theta energy: -140.426 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: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1594.478832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.478832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.478832 (E_RNA) where: Base-Base interactions energy: -1065.181 where: short stacking energy: -452.222 Base-Backbone interact. energy: -3.152 local terms energy: -526.146177 where: bonds (distance) C4'-P energy: -106.505 bonds (distance) P-C4' energy: -95.826 flat angles C4'-P-C4' energy: -127.967 flat angles P-C4'-P energy: -76.896 tors. eta vs tors. theta energy: -118.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1321.068558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.068558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.068558 (E_RNA) where: Base-Base interactions energy: -856.080 where: short stacking energy: -380.185 Base-Backbone interact. energy: 0.068 local terms energy: -465.056026 where: bonds (distance) C4'-P energy: -98.176 bonds (distance) P-C4' energy: -103.325 flat angles C4'-P-C4' energy: -101.792 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -86.646 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: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1065.515935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.515935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.515935 (E_RNA) where: Base-Base interactions energy: -649.275 where: short stacking energy: -329.579 Base-Backbone interact. energy: -1.168 local terms energy: -415.073346 where: bonds (distance) C4'-P energy: -78.010 bonds (distance) P-C4' energy: -103.956 flat angles C4'-P-C4' energy: -89.503 flat angles P-C4'-P energy: -81.967 tors. eta vs tors. theta energy: -61.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -845.655644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.655644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.655644 (E_RNA) where: Base-Base interactions energy: -480.691 where: short stacking energy: -232.360 Base-Backbone interact. energy: -1.812 local terms energy: -363.152781 where: bonds (distance) C4'-P energy: -85.562 bonds (distance) P-C4' energy: -102.488 flat angles C4'-P-C4' energy: -90.394 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -31.758 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: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -479.785318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.785318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.785318 (E_RNA) where: Base-Base interactions energy: -181.179 where: short stacking energy: -137.276 Base-Backbone interact. energy: 0.558 local terms energy: -299.164281 where: bonds (distance) C4'-P energy: -81.040 bonds (distance) P-C4' energy: -94.933 flat angles C4'-P-C4' energy: -80.736 flat angles P-C4'-P energy: -64.552 tors. eta vs tors. theta energy: 22.097 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: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1975.566566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.566566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.566566 (E_RNA) where: Base-Base interactions energy: -1355.256 where: short stacking energy: -593.566 Base-Backbone interact. energy: -2.496 local terms energy: -617.814596 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -105.946 flat angles C4'-P-C4' energy: -136.029 flat angles P-C4'-P energy: -75.608 tors. eta vs tors. theta energy: -173.808 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: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2024.897455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.897455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.897455 (E_RNA) where: Base-Base interactions energy: -1383.210 where: short stacking energy: -585.213 Base-Backbone interact. energy: 1.266 local terms energy: -642.954106 where: bonds (distance) C4'-P energy: -123.084 bonds (distance) P-C4' energy: -120.704 flat angles C4'-P-C4' energy: -131.848 flat angles P-C4'-P energy: -88.686 tors. eta vs tors. theta energy: -178.632 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: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1823.752280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.752280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.752280 (E_RNA) where: Base-Base interactions energy: -1224.855 where: short stacking energy: -526.190 Base-Backbone interact. energy: -3.394 local terms energy: -595.503475 where: bonds (distance) C4'-P energy: -123.745 bonds (distance) P-C4' energy: -124.945 flat angles C4'-P-C4' energy: -122.393 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: -148.277 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: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1686.659620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.659620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.659620 (E_RNA) where: Base-Base interactions energy: -1164.187 where: short stacking energy: -499.461 Base-Backbone interact. energy: -0.372 local terms energy: -522.100706 where: bonds (distance) C4'-P energy: -102.941 bonds (distance) P-C4' energy: -97.410 flat angles C4'-P-C4' energy: -116.297 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -130.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1644.098565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.098565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.098565 (E_RNA) where: Base-Base interactions energy: -1121.516 where: short stacking energy: -477.735 Base-Backbone interact. energy: -1.677 local terms energy: -520.905590 where: bonds (distance) C4'-P energy: -98.815 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -123.952 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -126.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1558.715583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.715583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.715583 (E_RNA) where: Base-Base interactions energy: -1078.838 where: short stacking energy: -452.605 Base-Backbone interact. energy: 1.151 local terms energy: -481.028539 where: bonds (distance) C4'-P energy: -91.648 bonds (distance) P-C4' energy: -93.622 flat angles C4'-P-C4' energy: -112.524 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -113.765 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: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1273.532440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.532440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.532440 (E_RNA) where: Base-Base interactions energy: -785.353 where: short stacking energy: -345.164 Base-Backbone interact. energy: -0.109 local terms energy: -488.070690 where: bonds (distance) C4'-P energy: -102.060 bonds (distance) P-C4' energy: -100.951 flat angles C4'-P-C4' energy: -105.020 flat angles P-C4'-P energy: -81.191 tors. eta vs tors. theta energy: -98.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1067.139568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.139568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.139568 (E_RNA) where: Base-Base interactions energy: -659.472 where: short stacking energy: -322.815 Base-Backbone interact. energy: -2.368 local terms energy: -405.299538 where: bonds (distance) C4'-P energy: -80.856 bonds (distance) P-C4' energy: -104.470 flat angles C4'-P-C4' energy: -82.792 flat angles P-C4'-P energy: -63.497 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: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -821.010097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.010097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.010097 (E_RNA) where: Base-Base interactions energy: -455.950 where: short stacking energy: -238.637 Base-Backbone interact. energy: -0.665 local terms energy: -364.395379 where: bonds (distance) C4'-P energy: -92.467 bonds (distance) P-C4' energy: -94.973 flat angles C4'-P-C4' energy: -96.844 flat angles P-C4'-P energy: -55.686 tors. eta vs tors. theta energy: -24.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -489.171925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.171925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.171925 (E_RNA) where: Base-Base interactions energy: -196.569 where: short stacking energy: -144.634 Base-Backbone interact. energy: 0.224 local terms energy: -292.826576 where: bonds (distance) C4'-P energy: -75.483 bonds (distance) P-C4' energy: -103.801 flat angles C4'-P-C4' energy: -75.119 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: 11.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2064.801783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.801783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.801783 (E_RNA) where: Base-Base interactions energy: -1422.682 where: short stacking energy: -623.439 Base-Backbone interact. energy: -1.339 local terms energy: -640.780555 where: bonds (distance) C4'-P energy: -129.218 bonds (distance) P-C4' energy: -124.031 flat angles C4'-P-C4' energy: -128.161 flat angles P-C4'-P energy: -76.330 tors. eta vs tors. theta energy: -183.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1962.782962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.782962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.782962 (E_RNA) where: Base-Base interactions energy: -1335.324 where: short stacking energy: -579.492 Base-Backbone interact. energy: -1.511 local terms energy: -625.948830 where: bonds (distance) C4'-P energy: -107.390 bonds (distance) P-C4' energy: -130.473 flat angles C4'-P-C4' energy: -127.401 flat angles P-C4'-P energy: -87.759 tors. eta vs tors. theta energy: -172.925 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: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1793.247970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.247970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.247970 (E_RNA) where: Base-Base interactions energy: -1200.067 where: short stacking energy: -545.086 Base-Backbone interact. energy: 6.270 local terms energy: -599.451361 where: bonds (distance) C4'-P energy: -107.798 bonds (distance) P-C4' energy: -119.127 flat angles C4'-P-C4' energy: -123.118 flat angles P-C4'-P energy: -91.016 tors. eta vs tors. theta energy: -158.393 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: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1702.203580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.203580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.203580 (E_RNA) where: Base-Base interactions energy: -1144.477 where: short stacking energy: -476.646 Base-Backbone interact. energy: -1.027 local terms energy: -556.699946 where: bonds (distance) C4'-P energy: -102.675 bonds (distance) P-C4' energy: -106.338 flat angles C4'-P-C4' energy: -117.518 flat angles P-C4'-P energy: -79.004 tors. eta vs tors. theta energy: -151.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1621.304946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.304946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.304946 (E_RNA) where: Base-Base interactions energy: -1118.428 where: short stacking energy: -465.090 Base-Backbone interact. energy: 0.487 local terms energy: -503.364624 where: bonds (distance) C4'-P energy: -98.806 bonds (distance) P-C4' energy: -100.824 flat angles C4'-P-C4' energy: -117.923 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -115.278 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: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1556.970151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.970151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.970151 (E_RNA) where: Base-Base interactions energy: -1062.538 where: short stacking energy: -442.828 Base-Backbone interact. energy: -1.037 local terms energy: -493.395540 where: bonds (distance) C4'-P energy: -102.350 bonds (distance) P-C4' energy: -111.957 flat angles C4'-P-C4' energy: -107.840 flat angles P-C4'-P energy: -62.179 tors. eta vs tors. theta energy: -109.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1306.009112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.009112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.009112 (E_RNA) where: Base-Base interactions energy: -858.798 where: short stacking energy: -393.029 Base-Backbone interact. energy: -4.543 local terms energy: -442.668296 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -76.121 flat angles C4'-P-C4' energy: -102.092 flat angles P-C4'-P energy: -72.898 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: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1066.065258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.065258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.065258 (E_RNA) where: Base-Base interactions energy: -642.211 where: short stacking energy: -311.118 Base-Backbone interact. energy: 1.389 local terms energy: -425.242915 where: bonds (distance) C4'-P energy: -89.395 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -104.717 flat angles P-C4'-P energy: -59.799 tors. eta vs tors. theta energy: -78.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -774.909950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.909950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.909950 (E_RNA) where: Base-Base interactions energy: -443.388 where: short stacking energy: -216.637 Base-Backbone interact. energy: -1.201 local terms energy: -330.320470 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -91.320 flat angles C4'-P-C4' energy: -72.899 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -25.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -467.187197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.187197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.187197 (E_RNA) where: Base-Base interactions energy: -163.780 where: short stacking energy: -118.444 Base-Backbone interact. energy: -2.531 local terms energy: -300.875794 where: bonds (distance) C4'-P energy: -71.772 bonds (distance) P-C4' energy: -114.850 flat angles C4'-P-C4' energy: -79.767 flat angles P-C4'-P energy: -54.970 tors. eta vs tors. theta energy: 20.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2055.928135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.928135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.928135 (E_RNA) where: Base-Base interactions energy: -1437.716 where: short stacking energy: -618.548 Base-Backbone interact. energy: -2.408 local terms energy: -615.804459 where: bonds (distance) C4'-P energy: -115.555 bonds (distance) P-C4' energy: -107.131 flat angles C4'-P-C4' energy: -123.047 flat angles P-C4'-P energy: -84.914 tors. eta vs tors. theta energy: -185.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1985.196786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.196786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.196786 (E_RNA) where: Base-Base interactions energy: -1348.982 where: short stacking energy: -566.938 Base-Backbone interact. energy: -0.689 local terms energy: -635.526334 where: bonds (distance) C4'-P energy: -108.822 bonds (distance) P-C4' energy: -122.006 flat angles C4'-P-C4' energy: -127.625 flat angles P-C4'-P energy: -100.929 tors. eta vs tors. theta energy: -176.145 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: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1899.691973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.691973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.691973 (E_RNA) where: Base-Base interactions energy: -1316.548 where: short stacking energy: -559.379 Base-Backbone interact. energy: -3.460 local terms energy: -579.683646 where: bonds (distance) C4'-P energy: -114.284 bonds (distance) P-C4' energy: -98.742 flat angles C4'-P-C4' energy: -122.174 flat angles P-C4'-P energy: -76.046 tors. eta vs tors. theta energy: -168.438 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: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1737.271200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.271200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.271200 (E_RNA) where: Base-Base interactions energy: -1177.452 where: short stacking energy: -519.539 Base-Backbone interact. energy: 2.341 local terms energy: -562.159913 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -107.436 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: -146.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1651.472330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.472330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.472330 (E_RNA) where: Base-Base interactions energy: -1120.741 where: short stacking energy: -485.008 Base-Backbone interact. energy: 5.585 local terms energy: -536.316005 where: bonds (distance) C4'-P energy: -112.202 bonds (distance) P-C4' energy: -97.398 flat angles C4'-P-C4' energy: -114.014 flat angles P-C4'-P energy: -74.471 tors. eta vs tors. theta energy: -138.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1576.139619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.139619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.139619 (E_RNA) where: Base-Base interactions energy: -1078.208 where: short stacking energy: -465.218 Base-Backbone interact. energy: 0.176 local terms energy: -498.107822 where: bonds (distance) C4'-P energy: -95.414 bonds (distance) P-C4' energy: -95.210 flat angles C4'-P-C4' energy: -121.147 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -120.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1276.466863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.466863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.466863 (E_RNA) where: Base-Base interactions energy: -815.406 where: short stacking energy: -370.963 Base-Backbone interact. energy: -1.674 local terms energy: -459.386687 where: bonds (distance) C4'-P energy: -119.025 bonds (distance) P-C4' energy: -87.042 flat angles C4'-P-C4' energy: -107.903 flat angles P-C4'-P energy: -51.773 tors. eta vs tors. theta energy: -93.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -954.606227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.606227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.606227 (E_RNA) where: Base-Base interactions energy: -561.355 where: short stacking energy: -283.376 Base-Backbone interact. energy: 0.155 local terms energy: -393.406395 where: bonds (distance) C4'-P energy: -96.928 bonds (distance) P-C4' energy: -100.324 flat angles C4'-P-C4' energy: -89.245 flat angles P-C4'-P energy: -56.137 tors. eta vs tors. theta energy: -50.771 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: 9, replica: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -780.105618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.105618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.105618 (E_RNA) where: Base-Base interactions energy: -430.731 where: short stacking energy: -216.552 Base-Backbone interact. energy: -1.773 local terms energy: -347.602032 where: bonds (distance) C4'-P energy: -90.137 bonds (distance) P-C4' energy: -105.784 flat angles C4'-P-C4' energy: -80.751 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -17.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -465.752103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.752103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.752103 (E_RNA) where: Base-Base interactions energy: -130.732 where: short stacking energy: -111.849 Base-Backbone interact. energy: 9.100 local terms energy: -344.120114 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -104.493 flat angles C4'-P-C4' energy: -79.963 flat angles P-C4'-P energy: -54.840 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: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2041.081583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.081583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.081583 (E_RNA) where: Base-Base interactions energy: -1411.957 where: short stacking energy: -616.579 Base-Backbone interact. energy: -0.251 local terms energy: -628.873522 where: bonds (distance) C4'-P energy: -101.923 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -88.889 tors. eta vs tors. theta energy: -182.019 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: 442 Temperature: 0.950000 Total energy: -1990.565147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.565147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.565147 (E_RNA) where: Base-Base interactions energy: -1386.261 where: short stacking energy: -606.959 Base-Backbone interact. energy: -0.881 local terms energy: -603.423360 where: bonds (distance) C4'-P energy: -109.258 bonds (distance) P-C4' energy: -107.111 flat angles C4'-P-C4' energy: -127.329 flat angles P-C4'-P energy: -82.606 tors. eta vs tors. theta energy: -177.119 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: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1872.277590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.277590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.277590 (E_RNA) where: Base-Base interactions energy: -1257.903 where: short stacking energy: -564.150 Base-Backbone interact. energy: -4.021 local terms energy: -610.353022 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -105.611 flat angles C4'-P-C4' energy: -131.268 flat angles P-C4'-P energy: -78.416 tors. eta vs tors. theta energy: -167.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1748.142547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.142547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.142547 (E_RNA) where: Base-Base interactions energy: -1191.110 where: short stacking energy: -508.674 Base-Backbone interact. energy: -6.392 local terms energy: -550.640866 where: bonds (distance) C4'-P energy: -101.752 bonds (distance) P-C4' energy: -115.244 flat angles C4'-P-C4' energy: -119.590 flat angles P-C4'-P energy: -71.326 tors. eta vs tors. theta energy: -142.728 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: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1656.312674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.312674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.312674 (E_RNA) where: Base-Base interactions energy: -1122.546 where: short stacking energy: -460.407 Base-Backbone interact. energy: -2.874 local terms energy: -530.892775 where: bonds (distance) C4'-P energy: -100.767 bonds (distance) P-C4' energy: -109.634 flat angles C4'-P-C4' energy: -123.163 flat angles P-C4'-P energy: -77.277 tors. eta vs tors. theta energy: -120.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1632.837507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.837507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.837507 (E_RNA) where: Base-Base interactions energy: -1102.330 where: short stacking energy: -471.373 Base-Backbone interact. energy: -0.624 local terms energy: -529.883671 where: bonds (distance) C4'-P energy: -99.791 bonds (distance) P-C4' energy: -109.928 flat angles C4'-P-C4' energy: -121.198 flat angles P-C4'-P energy: -68.980 tors. eta vs tors. theta energy: -129.987 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: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1268.468425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.468425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.468425 (E_RNA) where: Base-Base interactions energy: -845.290 where: short stacking energy: -345.921 Base-Backbone interact. energy: -0.770 local terms energy: -422.408223 where: bonds (distance) C4'-P energy: -92.788 bonds (distance) P-C4' energy: -92.610 flat angles C4'-P-C4' energy: -99.409 flat angles P-C4'-P energy: -66.263 tors. eta vs tors. theta energy: -71.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -920.868670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.868670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.868670 (E_RNA) where: Base-Base interactions energy: -531.244 where: short stacking energy: -264.406 Base-Backbone interact. energy: 2.029 local terms energy: -391.653142 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -114.906 flat angles C4'-P-C4' energy: -91.949 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -41.451 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: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -793.241536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.241536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.241536 (E_RNA) where: Base-Base interactions energy: -457.796 where: short stacking energy: -228.936 Base-Backbone interact. energy: -1.031 local terms energy: -334.414134 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -102.826 flat angles C4'-P-C4' energy: -82.767 flat angles P-C4'-P energy: -45.004 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -448.327363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.327363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.327363 (E_RNA) where: Base-Base interactions energy: -166.981 where: short stacking energy: -149.842 Base-Backbone interact. energy: 4.309 local terms energy: -285.655418 where: bonds (distance) C4'-P energy: -95.197 bonds (distance) P-C4' energy: -91.204 flat angles C4'-P-C4' energy: -83.811 flat angles P-C4'-P energy: -51.587 tors. eta vs tors. theta energy: 36.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2055.905074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.905074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.905074 (E_RNA) where: Base-Base interactions energy: -1416.429 where: short stacking energy: -605.027 Base-Backbone interact. energy: -3.387 local terms energy: -636.088763 where: bonds (distance) C4'-P energy: -115.797 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -134.679 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -184.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1982.192308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.192308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.192308 (E_RNA) where: Base-Base interactions energy: -1378.654 where: short stacking energy: -618.850 Base-Backbone interact. energy: -0.430 local terms energy: -603.108216 where: bonds (distance) C4'-P energy: -107.871 bonds (distance) P-C4' energy: -105.805 flat angles C4'-P-C4' energy: -125.780 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -178.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1833.993932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.993932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.993932 (E_RNA) where: Base-Base interactions energy: -1254.628 where: short stacking energy: -540.636 Base-Backbone interact. energy: -3.245 local terms energy: -576.121441 where: bonds (distance) C4'-P energy: -98.322 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -124.700 flat angles P-C4'-P energy: -78.444 tors. eta vs tors. theta energy: -162.107 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: 4, replica: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1720.153475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.153475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.153475 (E_RNA) where: Base-Base interactions energy: -1173.411 where: short stacking energy: -482.938 Base-Backbone interact. energy: -1.552 local terms energy: -545.190550 where: bonds (distance) C4'-P energy: -101.968 bonds (distance) P-C4' energy: -108.280 flat angles C4'-P-C4' energy: -109.878 flat angles P-C4'-P energy: -79.908 tors. eta vs tors. theta energy: -145.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1617.216411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.216411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.216411 (E_RNA) where: Base-Base interactions energy: -1075.666 where: short stacking energy: -444.430 Base-Backbone interact. energy: -1.802 local terms energy: -539.748911 where: bonds (distance) C4'-P energy: -108.271 bonds (distance) P-C4' energy: -113.662 flat angles C4'-P-C4' energy: -107.163 flat angles P-C4'-P energy: -88.055 tors. eta vs tors. theta energy: -122.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1605.190280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.190280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.190280 (E_RNA) where: Base-Base interactions energy: -1101.240 where: short stacking energy: -489.293 Base-Backbone interact. energy: 1.394 local terms energy: -505.343830 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -96.657 flat angles C4'-P-C4' energy: -108.710 flat angles P-C4'-P energy: -62.569 tors. eta vs tors. theta energy: -134.949 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: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1252.755392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.755392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.755392 (E_RNA) where: Base-Base interactions energy: -810.000 where: short stacking energy: -355.335 Base-Backbone interact. energy: -2.880 local terms energy: -439.875374 where: bonds (distance) C4'-P energy: -103.259 bonds (distance) P-C4' energy: -89.038 flat angles C4'-P-C4' energy: -110.251 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -73.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -887.571634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.571634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.571634 (E_RNA) where: Base-Base interactions energy: -503.119 where: short stacking energy: -285.186 Base-Backbone interact. energy: -1.732 local terms energy: -382.720474 where: bonds (distance) C4'-P energy: -90.882 bonds (distance) P-C4' energy: -103.672 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -43.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -844.825060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.825060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.825060 (E_RNA) where: Base-Base interactions energy: -470.510 where: short stacking energy: -225.858 Base-Backbone interact. energy: 0.072 local terms energy: -374.387884 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -110.340 flat angles C4'-P-C4' energy: -98.565 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: -32.940 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: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -477.715700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.715700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.715700 (E_RNA) where: Base-Base interactions energy: -150.707 where: short stacking energy: -130.632 Base-Backbone interact. energy: -1.595 local terms energy: -325.413150 where: bonds (distance) C4'-P energy: -86.292 bonds (distance) P-C4' energy: -94.684 flat angles C4'-P-C4' energy: -98.408 flat angles P-C4'-P energy: -65.041 tors. eta vs tors. theta energy: 19.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2049.137891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.137891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.137891 (E_RNA) where: Base-Base interactions energy: -1412.190 where: short stacking energy: -617.551 Base-Backbone interact. energy: -1.867 local terms energy: -635.081055 where: bonds (distance) C4'-P energy: -123.485 bonds (distance) P-C4' energy: -110.302 flat angles C4'-P-C4' energy: -131.371 flat angles P-C4'-P energy: -86.666 tors. eta vs tors. theta energy: -183.257 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: 444 Temperature: 0.950000 Total energy: -1952.989158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.989158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.989158 (E_RNA) where: Base-Base interactions energy: -1361.203 where: short stacking energy: -578.456 Base-Backbone interact. energy: -2.517 local terms energy: -589.268298 where: bonds (distance) C4'-P energy: -101.917 bonds (distance) P-C4' energy: -109.669 flat angles C4'-P-C4' energy: -123.713 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -167.951 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: 444 Temperature: 1.000000 Total energy: -1864.990058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.990058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.990058 (E_RNA) where: Base-Base interactions energy: -1254.071 where: short stacking energy: -560.576 Base-Backbone interact. energy: -2.102 local terms energy: -608.816596 where: bonds (distance) C4'-P energy: -112.670 bonds (distance) P-C4' energy: -108.698 flat angles C4'-P-C4' energy: -126.914 flat angles P-C4'-P energy: -83.538 tors. eta vs tors. theta energy: -176.997 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: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1758.157843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.157843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.157843 (E_RNA) where: Base-Base interactions energy: -1197.472 where: short stacking energy: -518.223 Base-Backbone interact. energy: -3.674 local terms energy: -557.011174 where: bonds (distance) C4'-P energy: -101.086 bonds (distance) P-C4' energy: -105.022 flat angles C4'-P-C4' energy: -110.886 flat angles P-C4'-P energy: -81.679 tors. eta vs tors. theta energy: -158.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1592.705278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.705278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.705278 (E_RNA) where: Base-Base interactions energy: -1104.918 where: short stacking energy: -487.402 Base-Backbone interact. energy: -2.428 local terms energy: -485.359368 where: bonds (distance) C4'-P energy: -92.992 bonds (distance) P-C4' energy: -92.197 flat angles C4'-P-C4' energy: -116.098 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -120.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1515.170003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.170003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.170003 (E_RNA) where: Base-Base interactions energy: -995.918 where: short stacking energy: -420.269 Base-Backbone interact. energy: -0.606 local terms energy: -518.646568 where: bonds (distance) C4'-P energy: -105.281 bonds (distance) P-C4' energy: -108.779 flat angles C4'-P-C4' energy: -112.298 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -114.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1258.051421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.051421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.051421 (E_RNA) where: Base-Base interactions energy: -822.640 where: short stacking energy: -353.904 Base-Backbone interact. energy: -0.505 local terms energy: -434.906267 where: bonds (distance) C4'-P energy: -95.497 bonds (distance) P-C4' energy: -80.331 flat angles C4'-P-C4' energy: -108.350 flat angles P-C4'-P energy: -66.552 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: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -864.776469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.776469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.776469 (E_RNA) where: Base-Base interactions energy: -478.954 where: short stacking energy: -229.692 Base-Backbone interact. energy: 3.232 local terms energy: -389.054848 where: bonds (distance) C4'-P energy: -103.835 bonds (distance) P-C4' energy: -102.411 flat angles C4'-P-C4' energy: -87.498 flat angles P-C4'-P energy: -62.749 tors. eta vs tors. theta energy: -32.563 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: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -856.377243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.377243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.377243 (E_RNA) where: Base-Base interactions energy: -500.945 where: short stacking energy: -254.911 Base-Backbone interact. energy: 2.158 local terms energy: -357.589748 where: bonds (distance) C4'-P energy: -93.563 bonds (distance) P-C4' energy: -95.550 flat angles C4'-P-C4' energy: -95.274 flat angles P-C4'-P energy: -42.597 tors. eta vs tors. theta energy: -30.605 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: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -525.951979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.951979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.951979 (E_RNA) where: Base-Base interactions energy: -210.745 where: short stacking energy: -138.968 Base-Backbone interact. energy: -2.341 local terms energy: -312.865596 where: bonds (distance) C4'-P energy: -90.167 bonds (distance) P-C4' energy: -95.830 flat angles C4'-P-C4' energy: -80.001 flat angles P-C4'-P energy: -58.460 tors. eta vs tors. theta energy: 11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2061.150849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.150849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.150849 (E_RNA) where: Base-Base interactions energy: -1410.477 where: short stacking energy: -619.590 Base-Backbone interact. energy: -4.115 local terms energy: -646.558748 where: bonds (distance) C4'-P energy: -127.199 bonds (distance) P-C4' energy: -106.298 flat angles C4'-P-C4' energy: -135.656 flat angles P-C4'-P energy: -94.147 tors. eta vs tors. theta energy: -183.258 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: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1919.535069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.535069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.535069 (E_RNA) where: Base-Base interactions energy: -1314.379 where: short stacking energy: -583.653 Base-Backbone interact. energy: -0.384 local terms energy: -604.772233 where: bonds (distance) C4'-P energy: -107.751 bonds (distance) P-C4' energy: -110.668 flat angles C4'-P-C4' energy: -131.676 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -173.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1852.983649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.983649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.983649 (E_RNA) where: Base-Base interactions energy: -1249.278 where: short stacking energy: -547.570 Base-Backbone interact. energy: -3.342 local terms energy: -600.363361 where: bonds (distance) C4'-P energy: -112.663 bonds (distance) P-C4' energy: -115.826 flat angles C4'-P-C4' energy: -129.064 flat angles P-C4'-P energy: -73.401 tors. eta vs tors. theta energy: -169.409 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: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1732.452373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.452373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.452373 (E_RNA) where: Base-Base interactions energy: -1187.318 where: short stacking energy: -483.399 Base-Backbone interact. energy: -1.842 local terms energy: -543.292229 where: bonds (distance) C4'-P energy: -94.878 bonds (distance) P-C4' energy: -109.623 flat angles C4'-P-C4' energy: -130.440 flat angles P-C4'-P energy: -80.730 tors. eta vs tors. theta energy: -127.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1614.853678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.853678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.853678 (E_RNA) where: Base-Base interactions energy: -1085.068 where: short stacking energy: -475.220 Base-Backbone interact. energy: -1.122 local terms energy: -528.663737 where: bonds (distance) C4'-P energy: -114.687 bonds (distance) P-C4' energy: -110.491 flat angles C4'-P-C4' energy: -119.159 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: -116.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1555.789773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.789773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.789773 (E_RNA) where: Base-Base interactions energy: -1061.787 where: short stacking energy: -455.769 Base-Backbone interact. energy: -1.799 local terms energy: -492.203130 where: bonds (distance) C4'-P energy: -96.029 bonds (distance) P-C4' energy: -100.803 flat angles C4'-P-C4' energy: -113.853 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -108.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1228.870106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.870106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.870106 (E_RNA) where: Base-Base interactions energy: -817.472 where: short stacking energy: -353.332 Base-Backbone interact. energy: -0.290 local terms energy: -411.107858 where: bonds (distance) C4'-P energy: -81.913 bonds (distance) P-C4' energy: -111.259 flat angles C4'-P-C4' energy: -92.868 flat angles P-C4'-P energy: -53.407 tors. eta vs tors. theta energy: -71.660 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: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -941.109330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.109330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.109330 (E_RNA) where: Base-Base interactions energy: -556.199 where: short stacking energy: -278.572 Base-Backbone interact. energy: -1.265 local terms energy: -383.645190 where: bonds (distance) C4'-P energy: -92.576 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -82.855 flat angles P-C4'-P energy: -74.625 tors. eta vs tors. theta energy: -38.926 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: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -873.398231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.398231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.398231 (E_RNA) where: Base-Base interactions energy: -510.458 where: short stacking energy: -246.060 Base-Backbone interact. energy: 1.718 local terms energy: -364.659159 where: bonds (distance) C4'-P energy: -93.413 bonds (distance) P-C4' energy: -103.692 flat angles C4'-P-C4' energy: -73.532 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -32.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -554.182639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.182639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.182639 (E_RNA) where: Base-Base interactions energy: -271.756 where: short stacking energy: -164.490 Base-Backbone interact. energy: -0.018 local terms energy: -282.408003 where: bonds (distance) C4'-P energy: -100.126 bonds (distance) P-C4' energy: -81.924 flat angles C4'-P-C4' energy: -79.854 flat angles P-C4'-P energy: -36.554 tors. eta vs tors. theta energy: 16.051 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: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2057.002910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.002910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.002910 (E_RNA) where: Base-Base interactions energy: -1417.453 where: short stacking energy: -618.329 Base-Backbone interact. energy: -0.287 local terms energy: -639.262872 where: bonds (distance) C4'-P energy: -111.908 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -146.134 flat angles P-C4'-P energy: -80.910 tors. eta vs tors. theta energy: -172.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1945.910953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.910953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.910953 (E_RNA) where: Base-Base interactions energy: -1351.039 where: short stacking energy: -588.864 Base-Backbone interact. energy: -0.819 local terms energy: -594.053478 where: bonds (distance) C4'-P energy: -91.456 bonds (distance) P-C4' energy: -123.530 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -88.305 tors. eta vs tors. theta energy: -172.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1901.376800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.376800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.376800 (E_RNA) where: Base-Base interactions energy: -1270.114 where: short stacking energy: -560.866 Base-Backbone interact. energy: -0.735 local terms energy: -630.528462 where: bonds (distance) C4'-P energy: -125.606 bonds (distance) P-C4' energy: -124.124 flat angles C4'-P-C4' energy: -124.111 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -171.891 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: 10 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1681.439517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.439517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.439517 (E_RNA) where: Base-Base interactions energy: -1128.746 where: short stacking energy: -495.918 Base-Backbone interact. energy: 0.334 local terms energy: -553.028173 where: bonds (distance) C4'-P energy: -105.184 bonds (distance) P-C4' energy: -104.393 flat angles C4'-P-C4' energy: -114.939 flat angles P-C4'-P energy: -88.280 tors. eta vs tors. theta energy: -140.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1600.732127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.732127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.732127 (E_RNA) where: Base-Base interactions energy: -1089.133 where: short stacking energy: -474.603 Base-Backbone interact. energy: 2.801 local terms energy: -514.399955 where: bonds (distance) C4'-P energy: -97.818 bonds (distance) P-C4' energy: -110.437 flat angles C4'-P-C4' energy: -103.251 flat angles P-C4'-P energy: -79.737 tors. eta vs tors. theta energy: -123.157 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: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1468.183322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.183322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.183322 (E_RNA) where: Base-Base interactions energy: -993.644 where: short stacking energy: -395.268 Base-Backbone interact. energy: -2.556 local terms energy: -471.983781 where: bonds (distance) C4'-P energy: -84.965 bonds (distance) P-C4' energy: -104.928 flat angles C4'-P-C4' energy: -112.076 flat angles P-C4'-P energy: -74.573 tors. eta vs tors. theta energy: -95.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1307.163077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.163077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.163077 (E_RNA) where: Base-Base interactions energy: -833.158 where: short stacking energy: -393.407 Base-Backbone interact. energy: 0.089 local terms energy: -474.093625 where: bonds (distance) C4'-P energy: -102.052 bonds (distance) P-C4' energy: -99.437 flat angles C4'-P-C4' energy: -110.958 flat angles P-C4'-P energy: -63.874 tors. eta vs tors. theta energy: -97.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1041.880885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.880885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.880885 (E_RNA) where: Base-Base interactions energy: -589.998 where: short stacking energy: -296.747 Base-Backbone interact. energy: -0.982 local terms energy: -450.900796 where: bonds (distance) C4'-P energy: -99.190 bonds (distance) P-C4' energy: -113.108 flat angles C4'-P-C4' energy: -100.439 flat angles P-C4'-P energy: -73.363 tors. eta vs tors. theta energy: -64.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -861.893400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.893400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.893400 (E_RNA) where: Base-Base interactions energy: -462.626 where: short stacking energy: -256.384 Base-Backbone interact. energy: 3.142 local terms energy: -402.408640 where: bonds (distance) C4'-P energy: -98.830 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -73.531 tors. eta vs tors. theta energy: -41.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -580.417804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.417804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.417804 (E_RNA) where: Base-Base interactions energy: -309.528 where: short stacking energy: -199.058 Base-Backbone interact. energy: 8.882 local terms energy: -279.772239 where: bonds (distance) C4'-P energy: -88.098 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -28.519 tors. eta vs tors. theta energy: 6.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2040.157653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.157653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.157653 (E_RNA) where: Base-Base interactions energy: -1387.969 where: short stacking energy: -602.101 Base-Backbone interact. energy: -1.836 local terms energy: -650.351927 where: bonds (distance) C4'-P energy: -117.682 bonds (distance) P-C4' energy: -126.936 flat angles C4'-P-C4' energy: -135.138 flat angles P-C4'-P energy: -91.763 tors. eta vs tors. theta energy: -178.832 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: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1971.987994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.987994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.987994 (E_RNA) where: Base-Base interactions energy: -1347.252 where: short stacking energy: -584.980 Base-Backbone interact. energy: -3.182 local terms energy: -621.553820 where: bonds (distance) C4'-P energy: -110.417 bonds (distance) P-C4' energy: -104.815 flat angles C4'-P-C4' energy: -134.805 flat angles P-C4'-P energy: -91.751 tors. eta vs tors. theta energy: -179.765 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: 3, replica: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1835.219515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.219515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.219515 (E_RNA) where: Base-Base interactions energy: -1257.805 where: short stacking energy: -549.856 Base-Backbone interact. energy: -2.579 local terms energy: -574.835126 where: bonds (distance) C4'-P energy: -96.859 bonds (distance) P-C4' energy: -106.050 flat angles C4'-P-C4' energy: -127.211 flat angles P-C4'-P energy: -74.672 tors. eta vs tors. theta energy: -170.043 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: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1619.304116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.304116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.304116 (E_RNA) where: Base-Base interactions energy: -1069.432 where: short stacking energy: -473.956 Base-Backbone interact. energy: 0.411 local terms energy: -550.283272 where: bonds (distance) C4'-P energy: -108.876 bonds (distance) P-C4' energy: -103.461 flat angles C4'-P-C4' energy: -124.237 flat angles P-C4'-P energy: -79.866 tors. eta vs tors. theta energy: -133.844 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: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1665.424878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.424878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.424878 (E_RNA) where: Base-Base interactions energy: -1129.143 where: short stacking energy: -469.867 Base-Backbone interact. energy: -0.473 local terms energy: -535.808993 where: bonds (distance) C4'-P energy: -94.696 bonds (distance) P-C4' energy: -104.138 flat angles C4'-P-C4' energy: -120.346 flat angles P-C4'-P energy: -70.262 tors. eta vs tors. theta energy: -146.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1490.554185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.554185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.554185 (E_RNA) where: Base-Base interactions energy: -982.083 where: short stacking energy: -406.679 Base-Backbone interact. energy: -0.688 local terms energy: -507.783232 where: bonds (distance) C4'-P energy: -92.745 bonds (distance) P-C4' energy: -114.175 flat angles C4'-P-C4' energy: -122.599 flat angles P-C4'-P energy: -73.075 tors. eta vs tors. theta energy: -105.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1268.788722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.788722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.788722 (E_RNA) where: Base-Base interactions energy: -813.679 where: short stacking energy: -350.448 Base-Backbone interact. energy: -2.790 local terms energy: -452.319275 where: bonds (distance) C4'-P energy: -113.436 bonds (distance) P-C4' energy: -97.850 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -63.758 tors. eta vs tors. theta energy: -71.629 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: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1028.981499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.981499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.981499 (E_RNA) where: Base-Base interactions energy: -614.231 where: short stacking energy: -278.839 Base-Backbone interact. energy: -0.435 local terms energy: -414.315339 where: bonds (distance) C4'-P energy: -94.005 bonds (distance) P-C4' energy: -112.962 flat angles C4'-P-C4' energy: -104.386 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -54.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -831.588497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.588497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.588497 (E_RNA) where: Base-Base interactions energy: -476.441 where: short stacking energy: -230.068 Base-Backbone interact. energy: -2.582 local terms energy: -352.565804 where: bonds (distance) C4'-P energy: -97.446 bonds (distance) P-C4' energy: -95.173 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -10.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -650.088772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.088772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.088772 (E_RNA) where: Base-Base interactions energy: -334.279 where: short stacking energy: -163.798 Base-Backbone interact. energy: 1.243 local terms energy: -317.052928 where: bonds (distance) C4'-P energy: -103.954 bonds (distance) P-C4' energy: -87.550 flat angles C4'-P-C4' energy: -88.232 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: 10.873 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: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2088.799659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.799659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.799659 (E_RNA) where: Base-Base interactions energy: -1440.630 where: short stacking energy: -616.104 Base-Backbone interact. energy: -1.491 local terms energy: -646.678594 where: bonds (distance) C4'-P energy: -111.492 bonds (distance) P-C4' energy: -128.532 flat angles C4'-P-C4' energy: -136.639 flat angles P-C4'-P energy: -86.282 tors. eta vs tors. theta energy: -183.733 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: 448 Temperature: 0.950000 Total energy: -1957.412322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.412322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.412322 (E_RNA) where: Base-Base interactions energy: -1339.862 where: short stacking energy: -569.685 Base-Backbone interact. energy: -3.239 local terms energy: -614.310818 where: bonds (distance) C4'-P energy: -101.572 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -132.964 flat angles P-C4'-P energy: -94.398 tors. eta vs tors. theta energy: -168.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1851.072232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.072232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.072232 (E_RNA) where: Base-Base interactions energy: -1237.824 where: short stacking energy: -552.392 Base-Backbone interact. energy: -3.136 local terms energy: -610.112186 where: bonds (distance) C4'-P energy: -111.761 bonds (distance) P-C4' energy: -119.186 flat angles C4'-P-C4' energy: -120.162 flat angles P-C4'-P energy: -84.382 tors. eta vs tors. theta energy: -174.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1623.900632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.900632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.900632 (E_RNA) where: Base-Base interactions energy: -1106.943 where: short stacking energy: -496.782 Base-Backbone interact. energy: 2.683 local terms energy: -519.640018 where: bonds (distance) C4'-P energy: -107.427 bonds (distance) P-C4' energy: -107.036 flat angles C4'-P-C4' energy: -113.332 flat angles P-C4'-P energy: -65.982 tors. eta vs tors. theta energy: -125.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1671.360518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.360518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.360518 (E_RNA) where: Base-Base interactions energy: -1134.151 where: short stacking energy: -506.256 Base-Backbone interact. energy: -2.080 local terms energy: -535.129362 where: bonds (distance) C4'-P energy: -88.492 bonds (distance) P-C4' energy: -98.529 flat angles C4'-P-C4' energy: -122.980 flat angles P-C4'-P energy: -78.385 tors. eta vs tors. theta energy: -146.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1512.714687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.714687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.714687 (E_RNA) where: Base-Base interactions energy: -1043.318 where: short stacking energy: -441.755 Base-Backbone interact. energy: -1.017 local terms energy: -468.379791 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -91.520 flat angles C4'-P-C4' energy: -99.635 flat angles P-C4'-P energy: -61.731 tors. eta vs tors. theta energy: -112.962 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: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1246.272800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.272800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.272800 (E_RNA) where: Base-Base interactions energy: -802.355 where: short stacking energy: -348.965 Base-Backbone interact. energy: 1.192 local terms energy: -445.109871 where: bonds (distance) C4'-P energy: -103.770 bonds (distance) P-C4' energy: -110.372 flat angles C4'-P-C4' energy: -104.597 flat angles P-C4'-P energy: -54.528 tors. eta vs tors. theta energy: -71.843 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: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -978.490436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.490436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.490436 (E_RNA) where: Base-Base interactions energy: -575.309 where: short stacking energy: -286.136 Base-Backbone interact. energy: -1.157 local terms energy: -402.024294 where: bonds (distance) C4'-P energy: -86.795 bonds (distance) P-C4' energy: -107.271 flat angles C4'-P-C4' energy: -84.588 flat angles P-C4'-P energy: -68.731 tors. eta vs tors. theta energy: -54.640 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: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -857.620604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.620604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.620604 (E_RNA) where: Base-Base interactions energy: -485.854 where: short stacking energy: -221.574 Base-Backbone interact. energy: 1.117 local terms energy: -372.883076 where: bonds (distance) C4'-P energy: -98.310 bonds (distance) P-C4' energy: -105.757 flat angles C4'-P-C4' energy: -85.941 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -26.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -651.963464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.963464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.963464 (E_RNA) where: Base-Base interactions energy: -326.914 where: short stacking energy: -188.301 Base-Backbone interact. energy: 4.886 local terms energy: -329.936043 where: bonds (distance) C4'-P energy: -98.783 bonds (distance) P-C4' energy: -103.258 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -38.029 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: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2059.354087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.354087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.354087 (E_RNA) where: Base-Base interactions energy: -1433.846 where: short stacking energy: -618.409 Base-Backbone interact. energy: -2.928 local terms energy: -622.579764 where: bonds (distance) C4'-P energy: -110.995 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -137.086 flat angles P-C4'-P energy: -89.321 tors. eta vs tors. theta energy: -175.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1962.675192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.675192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.675192 (E_RNA) where: Base-Base interactions energy: -1362.641 where: short stacking energy: -584.200 Base-Backbone interact. energy: -1.562 local terms energy: -598.472050 where: bonds (distance) C4'-P energy: -100.467 bonds (distance) P-C4' energy: -109.498 flat angles C4'-P-C4' energy: -126.490 flat angles P-C4'-P energy: -85.227 tors. eta vs tors. theta energy: -176.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1836.319327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.319327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.319327 (E_RNA) where: Base-Base interactions energy: -1249.599 where: short stacking energy: -533.478 Base-Backbone interact. energy: -3.224 local terms energy: -583.496453 where: bonds (distance) C4'-P energy: -96.596 bonds (distance) P-C4' energy: -111.139 flat angles C4'-P-C4' energy: -133.716 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -166.611 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: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1687.814161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.814161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.814161 (E_RNA) where: Base-Base interactions energy: -1159.580 where: short stacking energy: -508.888 Base-Backbone interact. energy: -2.022 local terms energy: -526.211917 where: bonds (distance) C4'-P energy: -90.331 bonds (distance) P-C4' energy: -112.328 flat angles C4'-P-C4' energy: -119.826 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -123.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1642.771231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.771231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.771231 (E_RNA) where: Base-Base interactions energy: -1147.395 where: short stacking energy: -488.389 Base-Backbone interact. energy: 0.942 local terms energy: -496.318906 where: bonds (distance) C4'-P energy: -91.098 bonds (distance) P-C4' energy: -94.951 flat angles C4'-P-C4' energy: -113.642 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -134.749 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: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1479.895567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.895567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.895567 (E_RNA) where: Base-Base interactions energy: -1018.673 where: short stacking energy: -445.907 Base-Backbone interact. energy: -2.844 local terms energy: -458.378979 where: bonds (distance) C4'-P energy: -91.192 bonds (distance) P-C4' energy: -78.751 flat angles C4'-P-C4' energy: -99.788 flat angles P-C4'-P energy: -78.855 tors. eta vs tors. theta energy: -109.793 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: 449 Temperature: 1.200000 Total energy: -1231.148988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.148988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.148988 (E_RNA) where: Base-Base interactions energy: -804.248 where: short stacking energy: -351.846 Base-Backbone interact. energy: -0.028 local terms energy: -426.873045 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -97.307 flat angles C4'-P-C4' energy: -110.172 flat angles P-C4'-P energy: -61.770 tors. eta vs tors. theta energy: -72.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -982.470755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.470755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.470755 (E_RNA) where: Base-Base interactions energy: -586.073 where: short stacking energy: -285.040 Base-Backbone interact. energy: 2.038 local terms energy: -398.436197 where: bonds (distance) C4'-P energy: -92.283 bonds (distance) P-C4' energy: -98.730 flat angles C4'-P-C4' energy: -104.262 flat angles P-C4'-P energy: -68.535 tors. eta vs tors. theta energy: -34.626 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: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -814.393791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.393791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.393791 (E_RNA) where: Base-Base interactions energy: -460.523 where: short stacking energy: -209.590 Base-Backbone interact. energy: -0.770 local terms energy: -353.100920 where: bonds (distance) C4'-P energy: -96.809 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -81.915 flat angles P-C4'-P energy: -59.701 tors. eta vs tors. theta energy: -19.417 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: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -670.954778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.954778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.954778 (E_RNA) where: Base-Base interactions energy: -362.048 where: short stacking energy: -206.440 Base-Backbone interact. energy: -1.681 local terms energy: -307.226536 where: bonds (distance) C4'-P energy: -72.029 bonds (distance) P-C4' energy: -95.285 flat angles C4'-P-C4' energy: -86.405 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -18.768 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: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2068.740966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.740966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.740966 (E_RNA) where: Base-Base interactions energy: -1430.791 where: short stacking energy: -621.962 Base-Backbone interact. energy: -2.581 local terms energy: -635.368686 where: bonds (distance) C4'-P energy: -114.139 bonds (distance) P-C4' energy: -116.138 flat angles C4'-P-C4' energy: -132.103 flat angles P-C4'-P energy: -91.483 tors. eta vs tors. theta energy: -181.506 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: 450 Temperature: 0.950000 Total energy: -1958.383279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.383279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.383279 (E_RNA) where: Base-Base interactions energy: -1345.625 where: short stacking energy: -585.102 Base-Backbone interact. energy: -1.358 local terms energy: -611.399927 where: bonds (distance) C4'-P energy: -115.435 bonds (distance) P-C4' energy: -108.548 flat angles C4'-P-C4' energy: -123.991 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -172.923 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: 450 Temperature: 1.000000 Total energy: -1852.747382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.747382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.747382 (E_RNA) where: Base-Base interactions energy: -1262.450 where: short stacking energy: -578.251 Base-Backbone interact. energy: -2.442 local terms energy: -587.856067 where: bonds (distance) C4'-P energy: -91.570 bonds (distance) P-C4' energy: -105.655 flat angles C4'-P-C4' energy: -127.717 flat angles P-C4'-P energy: -88.989 tors. eta vs tors. theta energy: -173.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1671.306930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.306930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.306930 (E_RNA) where: Base-Base interactions energy: -1150.464 where: short stacking energy: -509.736 Base-Backbone interact. energy: -0.995 local terms energy: -519.848126 where: bonds (distance) C4'-P energy: -105.991 bonds (distance) P-C4' energy: -87.966 flat angles C4'-P-C4' energy: -117.763 flat angles P-C4'-P energy: -87.118 tors. eta vs tors. theta energy: -121.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1694.727730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.727730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.727730 (E_RNA) where: Base-Base interactions energy: -1171.559 where: short stacking energy: -508.513 Base-Backbone interact. energy: -2.805 local terms energy: -520.363208 where: bonds (distance) C4'-P energy: -90.301 bonds (distance) P-C4' energy: -104.763 flat angles C4'-P-C4' energy: -122.680 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: -142.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1468.480892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.480892 (E_RNA) where: Base-Base interactions energy: -984.554 where: short stacking energy: -421.189 Base-Backbone interact. energy: 0.402 local terms energy: -484.328866 where: bonds (distance) C4'-P energy: -113.459 bonds (distance) P-C4' energy: -87.606 flat angles C4'-P-C4' energy: -103.085 flat angles P-C4'-P energy: -85.523 tors. eta vs tors. theta energy: -94.656 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: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1257.190475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.190475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.190475 (E_RNA) where: Base-Base interactions energy: -828.435 where: short stacking energy: -370.930 Base-Backbone interact. energy: 1.008 local terms energy: -429.763571 where: bonds (distance) C4'-P energy: -84.068 bonds (distance) P-C4' energy: -104.792 flat angles C4'-P-C4' energy: -102.373 flat angles P-C4'-P energy: -61.425 tors. eta vs tors. theta energy: -77.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -996.146589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.146589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.146589 (E_RNA) where: Base-Base interactions energy: -585.496 where: short stacking energy: -296.061 Base-Backbone interact. energy: 0.531 local terms energy: -411.181276 where: bonds (distance) C4'-P energy: -104.037 bonds (distance) P-C4' energy: -105.320 flat angles C4'-P-C4' energy: -86.320 flat angles P-C4'-P energy: -59.164 tors. eta vs tors. theta energy: -56.341 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: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -764.134044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.134044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.134044 (E_RNA) where: Base-Base interactions energy: -403.510 where: short stacking energy: -226.388 Base-Backbone interact. energy: 1.912 local terms energy: -362.535809 where: bonds (distance) C4'-P energy: -95.186 bonds (distance) P-C4' energy: -92.698 flat angles C4'-P-C4' energy: -107.511 flat angles P-C4'-P energy: -43.123 tors. eta vs tors. theta energy: -24.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -662.087728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.087728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.087728 (E_RNA) where: Base-Base interactions energy: -306.875 where: short stacking energy: -193.304 Base-Backbone interact. energy: -0.552 local terms energy: -354.660971 where: bonds (distance) C4'-P energy: -108.575 bonds (distance) P-C4' energy: -93.951 flat angles C4'-P-C4' energy: -70.721 flat angles P-C4'-P energy: -62.981 tors. eta vs tors. theta energy: -18.433 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: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2063.537440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.537440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.537440 (E_RNA) where: Base-Base interactions energy: -1431.841 where: short stacking energy: -606.910 Base-Backbone interact. energy: -2.292 local terms energy: -629.404426 where: bonds (distance) C4'-P energy: -112.167 bonds (distance) P-C4' energy: -113.752 flat angles C4'-P-C4' energy: -127.655 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -183.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1970.119584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.119584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.119584 (E_RNA) where: Base-Base interactions energy: -1350.034 where: short stacking energy: -598.588 Base-Backbone interact. energy: -3.855 local terms energy: -616.230585 where: bonds (distance) C4'-P energy: -116.799 bonds (distance) P-C4' energy: -118.392 flat angles C4'-P-C4' energy: -119.178 flat angles P-C4'-P energy: -81.667 tors. eta vs tors. theta energy: -180.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1824.920410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.920410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.920410 (E_RNA) where: Base-Base interactions energy: -1239.305 where: short stacking energy: -514.657 Base-Backbone interact. energy: -2.351 local terms energy: -583.264606 where: bonds (distance) C4'-P energy: -125.046 bonds (distance) P-C4' energy: -104.326 flat angles C4'-P-C4' energy: -129.255 flat angles P-C4'-P energy: -73.812 tors. eta vs tors. theta energy: -150.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1738.305830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.305830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.305830 (E_RNA) where: Base-Base interactions energy: -1203.915 where: short stacking energy: -509.617 Base-Backbone interact. energy: 0.073 local terms energy: -534.464021 where: bonds (distance) C4'-P energy: -105.529 bonds (distance) P-C4' energy: -108.441 flat angles C4'-P-C4' energy: -97.678 flat angles P-C4'-P energy: -74.496 tors. eta vs tors. theta energy: -148.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1629.265490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.265490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.265490 (E_RNA) where: Base-Base interactions energy: -1091.181 where: short stacking energy: -476.781 Base-Backbone interact. energy: -2.040 local terms energy: -536.043822 where: bonds (distance) C4'-P energy: -107.238 bonds (distance) P-C4' energy: -113.792 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: -122.835 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: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1421.026389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.026389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.026389 (E_RNA) where: Base-Base interactions energy: -938.792 where: short stacking energy: -402.100 Base-Backbone interact. energy: 2.422 local terms energy: -484.656563 where: bonds (distance) C4'-P energy: -82.486 bonds (distance) P-C4' energy: -111.582 flat angles C4'-P-C4' energy: -110.270 flat angles P-C4'-P energy: -80.254 tors. eta vs tors. theta energy: -100.065 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: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1215.243491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.243491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.243491 (E_RNA) where: Base-Base interactions energy: -750.139 where: short stacking energy: -350.388 Base-Backbone interact. energy: 0.280 local terms energy: -465.384279 where: bonds (distance) C4'-P energy: -92.963 bonds (distance) P-C4' energy: -102.103 flat angles C4'-P-C4' energy: -114.797 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -76.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1053.232334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.232334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.232334 (E_RNA) where: Base-Base interactions energy: -652.610 where: short stacking energy: -305.518 Base-Backbone interact. energy: -4.187 local terms energy: -396.435001 where: bonds (distance) C4'-P energy: -91.263 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -102.579 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: -67.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -833.314237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.314237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.314237 (E_RNA) where: Base-Base interactions energy: -487.556 where: short stacking energy: -236.636 Base-Backbone interact. energy: -2.191 local terms energy: -343.567468 where: bonds (distance) C4'-P energy: -97.861 bonds (distance) P-C4' energy: -89.972 flat angles C4'-P-C4' energy: -92.398 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: -27.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -620.091146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.091146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.091146 (E_RNA) where: Base-Base interactions energy: -283.296 where: short stacking energy: -175.216 Base-Backbone interact. energy: -2.670 local terms energy: -334.125453 where: bonds (distance) C4'-P energy: -109.774 bonds (distance) P-C4' energy: -86.417 flat angles C4'-P-C4' energy: -65.904 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -14.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2061.003133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.003133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.003133 (E_RNA) where: Base-Base interactions energy: -1424.777 where: short stacking energy: -621.893 Base-Backbone interact. energy: -2.697 local terms energy: -633.529217 where: bonds (distance) C4'-P energy: -112.598 bonds (distance) P-C4' energy: -108.420 flat angles C4'-P-C4' energy: -133.684 flat angles P-C4'-P energy: -97.180 tors. eta vs tors. theta energy: -181.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1973.365182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.365182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.365182 (E_RNA) where: Base-Base interactions energy: -1340.841 where: short stacking energy: -590.226 Base-Backbone interact. energy: 1.031 local terms energy: -633.555403 where: bonds (distance) C4'-P energy: -116.584 bonds (distance) P-C4' energy: -113.199 flat angles C4'-P-C4' energy: -137.618 flat angles P-C4'-P energy: -90.953 tors. eta vs tors. theta energy: -175.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1829.596854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.596854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.596854 (E_RNA) where: Base-Base interactions energy: -1225.772 where: short stacking energy: -515.939 Base-Backbone interact. energy: -2.532 local terms energy: -601.293186 where: bonds (distance) C4'-P energy: -106.083 bonds (distance) P-C4' energy: -121.506 flat angles C4'-P-C4' energy: -131.034 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -156.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1799.757645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.757645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.757645 (E_RNA) where: Base-Base interactions energy: -1221.608 where: short stacking energy: -515.897 Base-Backbone interact. energy: -0.639 local terms energy: -577.510837 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -124.555 flat angles C4'-P-C4' energy: -129.180 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -145.203 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: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1646.743275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.743275 (E_RNA) where: Base-Base interactions energy: -1130.764 where: short stacking energy: -475.016 Base-Backbone interact. energy: -1.328 local terms energy: -514.651933 where: bonds (distance) C4'-P energy: -98.612 bonds (distance) P-C4' energy: -99.596 flat angles C4'-P-C4' energy: -102.516 flat angles P-C4'-P energy: -89.662 tors. eta vs tors. theta energy: -124.266 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: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1438.738931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.738931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.738931 (E_RNA) where: Base-Base interactions energy: -962.012 where: short stacking energy: -414.245 Base-Backbone interact. energy: -1.963 local terms energy: -474.764045 where: bonds (distance) C4'-P energy: -91.306 bonds (distance) P-C4' energy: -89.578 flat angles C4'-P-C4' energy: -109.509 flat angles P-C4'-P energy: -79.753 tors. eta vs tors. theta energy: -104.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1215.224272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.224272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.224272 (E_RNA) where: Base-Base interactions energy: -759.841 where: short stacking energy: -371.175 Base-Backbone interact. energy: 1.215 local terms energy: -456.598191 where: bonds (distance) C4'-P energy: -99.862 bonds (distance) P-C4' energy: -105.339 flat angles C4'-P-C4' energy: -103.827 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -90.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1025.801189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.801189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.801189 (E_RNA) where: Base-Base interactions energy: -633.995 where: short stacking energy: -312.737 Base-Backbone interact. energy: 0.721 local terms energy: -392.526986 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -100.917 flat angles C4'-P-C4' energy: -99.122 flat angles P-C4'-P energy: -42.636 tors. eta vs tors. theta energy: -62.470 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: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -795.327873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.327873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.327873 (E_RNA) where: Base-Base interactions energy: -458.963 where: short stacking energy: -238.873 Base-Backbone interact. energy: -1.033 local terms energy: -335.331758 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -73.000 flat angles C4'-P-C4' energy: -92.442 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -15.922 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: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -642.101190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.101190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.101190 (E_RNA) where: Base-Base interactions energy: -295.531 where: short stacking energy: -186.015 Base-Backbone interact. energy: -2.671 local terms energy: -343.899556 where: bonds (distance) C4'-P energy: -103.597 bonds (distance) P-C4' energy: -100.178 flat angles C4'-P-C4' energy: -93.086 flat angles P-C4'-P energy: -41.183 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2064.301422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.301422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.301422 (E_RNA) where: Base-Base interactions energy: -1414.174 where: short stacking energy: -608.233 Base-Backbone interact. energy: 0.211 local terms energy: -650.338840 where: bonds (distance) C4'-P energy: -132.427 bonds (distance) P-C4' energy: -119.015 flat angles C4'-P-C4' energy: -137.744 flat angles P-C4'-P energy: -87.683 tors. eta vs tors. theta energy: -173.469 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: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1942.105403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.105403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.105403 (E_RNA) where: Base-Base interactions energy: -1346.132 where: short stacking energy: -579.297 Base-Backbone interact. energy: -2.306 local terms energy: -593.667715 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -119.644 flat angles C4'-P-C4' energy: -131.668 flat angles P-C4'-P energy: -84.262 tors. eta vs tors. theta energy: -165.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1853.069473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.069473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.069473 (E_RNA) where: Base-Base interactions energy: -1250.013 where: short stacking energy: -550.031 Base-Backbone interact. energy: -4.148 local terms energy: -598.907992 where: bonds (distance) C4'-P energy: -106.921 bonds (distance) P-C4' energy: -107.426 flat angles C4'-P-C4' energy: -124.421 flat angles P-C4'-P energy: -92.481 tors. eta vs tors. theta energy: -167.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1773.055414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.055414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.055414 (E_RNA) where: Base-Base interactions energy: -1213.142 where: short stacking energy: -528.570 Base-Backbone interact. energy: -3.918 local terms energy: -555.995052 where: bonds (distance) C4'-P energy: -87.098 bonds (distance) P-C4' energy: -109.085 flat angles C4'-P-C4' energy: -128.797 flat angles P-C4'-P energy: -76.921 tors. eta vs tors. theta energy: -154.094 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: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1593.290230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.290230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.290230 (E_RNA) where: Base-Base interactions energy: -1085.493 where: short stacking energy: -454.957 Base-Backbone interact. energy: 0.129 local terms energy: -507.926106 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -103.096 flat angles C4'-P-C4' energy: -113.268 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -113.157 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: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1441.212525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.212525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.212525 (E_RNA) where: Base-Base interactions energy: -952.875 where: short stacking energy: -415.286 Base-Backbone interact. energy: -1.704 local terms energy: -486.633696 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -110.555 flat angles P-C4'-P energy: -68.632 tors. eta vs tors. theta energy: -98.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1216.722315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.722315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.722315 (E_RNA) where: Base-Base interactions energy: -776.263 where: short stacking energy: -360.719 Base-Backbone interact. energy: 0.319 local terms energy: -440.778383 where: bonds (distance) C4'-P energy: -75.851 bonds (distance) P-C4' energy: -104.617 flat angles C4'-P-C4' energy: -107.251 flat angles P-C4'-P energy: -64.659 tors. eta vs tors. theta energy: -88.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1018.683898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.683898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.683898 (E_RNA) where: Base-Base interactions energy: -634.283 where: short stacking energy: -294.986 Base-Backbone interact. energy: -1.939 local terms energy: -382.461155 where: bonds (distance) C4'-P energy: -78.623 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -77.349 flat angles P-C4'-P energy: -61.174 tors. eta vs tors. theta energy: -58.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -748.366738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.366738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.366738 (E_RNA) where: Base-Base interactions energy: -430.403 where: short stacking energy: -209.865 Base-Backbone interact. energy: 1.219 local terms energy: -319.182820 where: bonds (distance) C4'-P energy: -96.909 bonds (distance) P-C4' energy: -76.493 flat angles C4'-P-C4' energy: -82.280 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -14.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -492.293518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.293518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.293518 (E_RNA) where: Base-Base interactions energy: -165.317 where: short stacking energy: -91.612 Base-Backbone interact. energy: -0.587 local terms energy: -326.389227 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -104.498 flat angles C4'-P-C4' energy: -106.700 flat angles P-C4'-P energy: -44.524 tors. eta vs tors. theta energy: 24.979 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: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2055.613216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.613216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.613216 (E_RNA) where: Base-Base interactions energy: -1422.116 where: short stacking energy: -607.713 Base-Backbone interact. energy: -0.486 local terms energy: -633.011470 where: bonds (distance) C4'-P energy: -125.217 bonds (distance) P-C4' energy: -109.808 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: -182.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1972.635863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.635863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.635863 (E_RNA) where: Base-Base interactions energy: -1333.950 where: short stacking energy: -568.219 Base-Backbone interact. energy: -2.114 local terms energy: -636.571648 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -119.894 flat angles C4'-P-C4' energy: -136.972 flat angles P-C4'-P energy: -93.293 tors. eta vs tors. theta energy: -169.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1828.839337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.839337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.839337 (E_RNA) where: Base-Base interactions energy: -1222.102 where: short stacking energy: -526.540 Base-Backbone interact. energy: -3.867 local terms energy: -602.869732 where: bonds (distance) C4'-P energy: -106.699 bonds (distance) P-C4' energy: -114.072 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -83.854 tors. eta vs tors. theta energy: -165.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1793.107851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.107851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.107851 (E_RNA) where: Base-Base interactions energy: -1231.499 where: short stacking energy: -527.031 Base-Backbone interact. energy: -3.859 local terms energy: -557.749299 where: bonds (distance) C4'-P energy: -98.553 bonds (distance) P-C4' energy: -98.951 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -81.392 tors. eta vs tors. theta energy: -156.990 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: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1620.689233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.689233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.689233 (E_RNA) where: Base-Base interactions energy: -1115.612 where: short stacking energy: -454.855 Base-Backbone interact. energy: -0.148 local terms energy: -504.929183 where: bonds (distance) C4'-P energy: -102.998 bonds (distance) P-C4' energy: -107.208 flat angles C4'-P-C4' energy: -107.831 flat angles P-C4'-P energy: -71.285 tors. eta vs tors. theta energy: -115.608 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: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1474.296004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.296004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.296004 (E_RNA) where: Base-Base interactions energy: -995.632 where: short stacking energy: -431.695 Base-Backbone interact. energy: 0.306 local terms energy: -478.970209 where: bonds (distance) C4'-P energy: -106.287 bonds (distance) P-C4' energy: -81.394 flat angles C4'-P-C4' energy: -115.861 flat angles P-C4'-P energy: -73.119 tors. eta vs tors. theta energy: -102.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1263.740440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.740440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.740440 (E_RNA) where: Base-Base interactions energy: -831.952 where: short stacking energy: -387.040 Base-Backbone interact. energy: 0.172 local terms energy: -431.960851 where: bonds (distance) C4'-P energy: -77.881 bonds (distance) P-C4' energy: -105.113 flat angles C4'-P-C4' energy: -98.183 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -78.739 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: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1081.758788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.758788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.758788 (E_RNA) where: Base-Base interactions energy: -651.785 where: short stacking energy: -308.674 Base-Backbone interact. energy: -1.449 local terms energy: -428.524343 where: bonds (distance) C4'-P energy: -98.698 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -96.028 flat angles P-C4'-P energy: -63.875 tors. eta vs tors. theta energy: -57.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -762.158760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.158760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.158760 (E_RNA) where: Base-Base interactions energy: -405.654 where: short stacking energy: -220.144 Base-Backbone interact. energy: 2.921 local terms energy: -359.425956 where: bonds (distance) C4'-P energy: -101.545 bonds (distance) P-C4' energy: -104.160 flat angles C4'-P-C4' energy: -77.202 flat angles P-C4'-P energy: -57.234 tors. eta vs tors. theta energy: -19.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -434.973941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.973941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.973941 (E_RNA) where: Base-Base interactions energy: -161.078 where: short stacking energy: -145.285 Base-Backbone interact. energy: 0.137 local terms energy: -274.033078 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -95.322 flat angles C4'-P-C4' energy: -65.286 flat angles P-C4'-P energy: -31.393 tors. eta vs tors. theta energy: 16.325 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: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2049.457199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.457199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.457199 (E_RNA) where: Base-Base interactions energy: -1435.122 where: short stacking energy: -610.403 Base-Backbone interact. energy: -0.941 local terms energy: -613.394041 where: bonds (distance) C4'-P energy: -110.033 bonds (distance) P-C4' energy: -108.921 flat angles C4'-P-C4' energy: -135.582 flat angles P-C4'-P energy: -87.791 tors. eta vs tors. theta energy: -171.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1959.265136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.265136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.265136 (E_RNA) where: Base-Base interactions energy: -1356.366 where: short stacking energy: -581.497 Base-Backbone interact. energy: -0.108 local terms energy: -602.791669 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -93.960 flat angles C4'-P-C4' energy: -127.694 flat angles P-C4'-P energy: -97.370 tors. eta vs tors. theta energy: -172.286 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: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1833.085768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.085768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.085768 (E_RNA) where: Base-Base interactions energy: -1252.176 where: short stacking energy: -516.074 Base-Backbone interact. energy: -3.266 local terms energy: -577.644261 where: bonds (distance) C4'-P energy: -98.501 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -134.814 flat angles P-C4'-P energy: -81.277 tors. eta vs tors. theta energy: -154.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1787.626463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.626463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.626463 (E_RNA) where: Base-Base interactions energy: -1235.183 where: short stacking energy: -515.315 Base-Backbone interact. energy: -1.303 local terms energy: -551.140062 where: bonds (distance) C4'-P energy: -98.980 bonds (distance) P-C4' energy: -124.384 flat angles C4'-P-C4' energy: -110.663 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -149.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1646.397138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.397138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.397138 (E_RNA) where: Base-Base interactions energy: -1107.250 where: short stacking energy: -481.270 Base-Backbone interact. energy: -0.548 local terms energy: -538.599440 where: bonds (distance) C4'-P energy: -91.334 bonds (distance) P-C4' energy: -110.829 flat angles C4'-P-C4' energy: -118.734 flat angles P-C4'-P energy: -90.838 tors. eta vs tors. theta energy: -126.864 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: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1467.693803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.693803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.693803 (E_RNA) where: Base-Base interactions energy: -974.631 where: short stacking energy: -445.000 Base-Backbone interact. energy: -0.146 local terms energy: -492.917070 where: bonds (distance) C4'-P energy: -99.742 bonds (distance) P-C4' energy: -96.641 flat angles C4'-P-C4' energy: -106.325 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -111.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1235.255188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.255188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.255188 (E_RNA) where: Base-Base interactions energy: -785.648 where: short stacking energy: -358.064 Base-Backbone interact. energy: -2.385 local terms energy: -447.221743 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -108.656 flat angles P-C4'-P energy: -63.764 tors. eta vs tors. theta energy: -89.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1086.700142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.700142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.700142 (E_RNA) where: Base-Base interactions energy: -691.372 where: short stacking energy: -332.838 Base-Backbone interact. energy: -1.281 local terms energy: -394.046954 where: bonds (distance) C4'-P energy: -71.459 bonds (distance) P-C4' energy: -90.679 flat angles C4'-P-C4' energy: -102.198 flat angles P-C4'-P energy: -67.349 tors. eta vs tors. theta energy: -62.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -672.926112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.926112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.926112 (E_RNA) where: Base-Base interactions energy: -335.132 where: short stacking energy: -184.063 Base-Backbone interact. energy: -3.260 local terms energy: -334.534707 where: bonds (distance) C4'-P energy: -100.961 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -45.914 tors. eta vs tors. theta energy: 1.486 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: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -442.460991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.460991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.460991 (E_RNA) where: Base-Base interactions energy: -138.507 where: short stacking energy: -79.652 Base-Backbone interact. energy: 0.796 local terms energy: -304.750660 where: bonds (distance) C4'-P energy: -91.892 bonds (distance) P-C4' energy: -119.931 flat angles C4'-P-C4' energy: -81.474 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: 29.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2052.278240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.278240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.278240 (E_RNA) where: Base-Base interactions energy: -1422.797 where: short stacking energy: -610.617 Base-Backbone interact. energy: -4.356 local terms energy: -625.125126 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -122.925 flat angles P-C4'-P energy: -85.624 tors. eta vs tors. theta energy: -180.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1966.102443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.102443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.102443 (E_RNA) where: Base-Base interactions energy: -1357.710 where: short stacking energy: -608.207 Base-Backbone interact. energy: -2.049 local terms energy: -606.343584 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -115.032 flat angles C4'-P-C4' energy: -137.330 flat angles P-C4'-P energy: -77.508 tors. eta vs tors. theta energy: -171.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1854.863732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.863732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.863732 (E_RNA) where: Base-Base interactions energy: -1281.338 where: short stacking energy: -561.065 Base-Backbone interact. energy: -2.342 local terms energy: -571.182948 where: bonds (distance) C4'-P energy: -88.400 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -117.219 flat angles P-C4'-P energy: -85.672 tors. eta vs tors. theta energy: -162.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1816.010342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.010342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.010342 (E_RNA) where: Base-Base interactions energy: -1243.634 where: short stacking energy: -543.708 Base-Backbone interact. energy: -3.803 local terms energy: -568.573960 where: bonds (distance) C4'-P energy: -104.493 bonds (distance) P-C4' energy: -112.119 flat angles C4'-P-C4' energy: -117.195 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: -160.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1635.272074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.272074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.272074 (E_RNA) where: Base-Base interactions energy: -1102.202 where: short stacking energy: -465.471 Base-Backbone interact. energy: -1.772 local terms energy: -531.298164 where: bonds (distance) C4'-P energy: -99.050 bonds (distance) P-C4' energy: -111.425 flat angles C4'-P-C4' energy: -113.405 flat angles P-C4'-P energy: -67.885 tors. eta vs tors. theta energy: -139.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1465.213561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.213561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.213561 (E_RNA) where: Base-Base interactions energy: -969.208 where: short stacking energy: -415.700 Base-Backbone interact. energy: 5.813 local terms energy: -501.818660 where: bonds (distance) C4'-P energy: -103.936 bonds (distance) P-C4' energy: -101.461 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: -90.145 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: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1248.486418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.486418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.486418 (E_RNA) where: Base-Base interactions energy: -812.129 where: short stacking energy: -381.610 Base-Backbone interact. energy: 4.809 local terms energy: -441.165787 where: bonds (distance) C4'-P energy: -96.307 bonds (distance) P-C4' energy: -91.538 flat angles C4'-P-C4' energy: -101.355 flat angles P-C4'-P energy: -61.259 tors. eta vs tors. theta energy: -90.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1098.286529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.286529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.286529 (E_RNA) where: Base-Base interactions energy: -667.461 where: short stacking energy: -337.374 Base-Backbone interact. energy: -2.629 local terms energy: -428.196359 where: bonds (distance) C4'-P energy: -97.174 bonds (distance) P-C4' energy: -115.268 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -70.200 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: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -775.401068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.401068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.401068 (E_RNA) where: Base-Base interactions energy: -411.475 where: short stacking energy: -242.014 Base-Backbone interact. energy: 1.132 local terms energy: -365.058050 where: bonds (distance) C4'-P energy: -78.134 bonds (distance) P-C4' energy: -99.162 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -58.388 tors. eta vs tors. theta energy: -40.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -481.449642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.449642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.449642 (E_RNA) where: Base-Base interactions energy: -185.254 where: short stacking energy: -129.546 Base-Backbone interact. energy: 3.995 local terms energy: -300.190835 where: bonds (distance) C4'-P energy: -96.623 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -38.824 tors. eta vs tors. theta energy: 9.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2054.650447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.650447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.650447 (E_RNA) where: Base-Base interactions energy: -1424.675 where: short stacking energy: -612.221 Base-Backbone interact. energy: 0.650 local terms energy: -630.625210 where: bonds (distance) C4'-P energy: -120.603 bonds (distance) P-C4' energy: -114.262 flat angles C4'-P-C4' energy: -130.952 flat angles P-C4'-P energy: -90.888 tors. eta vs tors. theta energy: -173.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1974.154846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.154846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.154846 (E_RNA) where: Base-Base interactions energy: -1342.413 where: short stacking energy: -601.920 Base-Backbone interact. energy: -1.461 local terms energy: -630.281497 where: bonds (distance) C4'-P energy: -113.216 bonds (distance) P-C4' energy: -116.748 flat angles C4'-P-C4' energy: -129.711 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -180.245 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: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1849.056934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.056934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.056934 (E_RNA) where: Base-Base interactions energy: -1274.392 where: short stacking energy: -547.389 Base-Backbone interact. energy: -3.244 local terms energy: -571.421287 where: bonds (distance) C4'-P energy: -99.119 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -120.138 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -164.036 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: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1810.903448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.903448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.903448 (E_RNA) where: Base-Base interactions energy: -1246.331 where: short stacking energy: -548.602 Base-Backbone interact. energy: -0.970 local terms energy: -563.602553 where: bonds (distance) C4'-P energy: -102.567 bonds (distance) P-C4' energy: -109.225 flat angles C4'-P-C4' energy: -123.136 flat angles P-C4'-P energy: -60.751 tors. eta vs tors. theta energy: -167.924 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1652.068452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.068452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.068452 (E_RNA) where: Base-Base interactions energy: -1109.819 where: short stacking energy: -465.473 Base-Backbone interact. energy: -4.546 local terms energy: -537.703751 where: bonds (distance) C4'-P energy: -110.150 bonds (distance) P-C4' energy: -111.010 flat angles C4'-P-C4' energy: -112.803 flat angles P-C4'-P energy: -75.064 tors. eta vs tors. theta energy: -128.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1428.951611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.951611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.951611 (E_RNA) where: Base-Base interactions energy: -932.519 where: short stacking energy: -427.577 Base-Backbone interact. energy: 1.523 local terms energy: -497.955388 where: bonds (distance) C4'-P energy: -99.421 bonds (distance) P-C4' energy: -100.338 flat angles C4'-P-C4' energy: -114.282 flat angles P-C4'-P energy: -80.159 tors. eta vs tors. theta energy: -103.755 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: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1298.475468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.475468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.475468 (E_RNA) where: Base-Base interactions energy: -840.199 where: short stacking energy: -391.674 Base-Backbone interact. energy: -1.380 local terms energy: -456.895727 where: bonds (distance) C4'-P energy: -84.191 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -101.172 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: -95.976 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: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1073.552996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.552996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.552996 (E_RNA) where: Base-Base interactions energy: -637.381 where: short stacking energy: -308.623 Base-Backbone interact. energy: -0.127 local terms energy: -436.045253 where: bonds (distance) C4'-P energy: -103.917 bonds (distance) P-C4' energy: -93.235 flat angles C4'-P-C4' energy: -107.706 flat angles P-C4'-P energy: -65.807 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: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -723.758672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.758672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.758672 (E_RNA) where: Base-Base interactions energy: -410.618 where: short stacking energy: -222.749 Base-Backbone interact. energy: 1.419 local terms energy: -314.559919 where: bonds (distance) C4'-P energy: -83.600 bonds (distance) P-C4' energy: -99.223 flat angles C4'-P-C4' energy: -80.556 flat angles P-C4'-P energy: -39.267 tors. eta vs tors. theta energy: -11.913 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: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -472.682687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.682687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.682687 (E_RNA) where: Base-Base interactions energy: -163.005 where: short stacking energy: -133.456 Base-Backbone interact. energy: 0.889 local terms energy: -310.567290 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -88.535 flat angles C4'-P-C4' energy: -99.334 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: 18.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2058.352946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.352946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.352946 (E_RNA) where: Base-Base interactions energy: -1437.260 where: short stacking energy: -622.921 Base-Backbone interact. energy: -2.605 local terms energy: -618.488015 where: bonds (distance) C4'-P energy: -109.340 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -134.068 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -175.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1941.487212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.487212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.487212 (E_RNA) where: Base-Base interactions energy: -1317.959 where: short stacking energy: -594.946 Base-Backbone interact. energy: -3.682 local terms energy: -619.846202 where: bonds (distance) C4'-P energy: -111.162 bonds (distance) P-C4' energy: -115.293 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -83.234 tors. eta vs tors. theta energy: -178.773 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: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1828.300743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.300743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.300743 (E_RNA) where: Base-Base interactions energy: -1227.967 where: short stacking energy: -533.816 Base-Backbone interact. energy: -2.722 local terms energy: -597.610966 where: bonds (distance) C4'-P energy: -98.546 bonds (distance) P-C4' energy: -111.691 flat angles C4'-P-C4' energy: -133.814 flat angles P-C4'-P energy: -93.982 tors. eta vs tors. theta energy: -159.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1819.428659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.428659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.428659 (E_RNA) where: Base-Base interactions energy: -1226.726 where: short stacking energy: -538.280 Base-Backbone interact. energy: -3.089 local terms energy: -589.614030 where: bonds (distance) C4'-P energy: -113.891 bonds (distance) P-C4' energy: -107.547 flat angles C4'-P-C4' energy: -128.152 flat angles P-C4'-P energy: -75.940 tors. eta vs tors. theta energy: -164.085 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: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1639.156328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.156328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.156328 (E_RNA) where: Base-Base interactions energy: -1107.866 where: short stacking energy: -471.300 Base-Backbone interact. energy: -1.543 local terms energy: -529.747066 where: bonds (distance) C4'-P energy: -101.091 bonds (distance) P-C4' energy: -111.949 flat angles C4'-P-C4' energy: -110.904 flat angles P-C4'-P energy: -75.105 tors. eta vs tors. theta energy: -130.697 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: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1417.977537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.977537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.977537 (E_RNA) where: Base-Base interactions energy: -938.761 where: short stacking energy: -419.264 Base-Backbone interact. energy: -0.001 local terms energy: -479.216022 where: bonds (distance) C4'-P energy: -91.860 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -109.728 flat angles P-C4'-P energy: -71.528 tors. eta vs tors. theta energy: -87.857 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: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1238.866162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.866162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.866162 (E_RNA) where: Base-Base interactions energy: -782.281 where: short stacking energy: -359.479 Base-Backbone interact. energy: -0.542 local terms energy: -456.042755 where: bonds (distance) C4'-P energy: -86.401 bonds (distance) P-C4' energy: -105.585 flat angles C4'-P-C4' energy: -103.806 flat angles P-C4'-P energy: -72.706 tors. eta vs tors. theta energy: -87.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1085.390638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.390638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.390638 (E_RNA) where: Base-Base interactions energy: -644.713 where: short stacking energy: -300.626 Base-Backbone interact. energy: -0.425 local terms energy: -440.253020 where: bonds (distance) C4'-P energy: -94.803 bonds (distance) P-C4' energy: -98.243 flat angles C4'-P-C4' energy: -109.276 flat angles P-C4'-P energy: -65.036 tors. eta vs tors. theta energy: -72.894 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: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -730.932134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.932134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.932134 (E_RNA) where: Base-Base interactions energy: -373.878 where: short stacking energy: -197.996 Base-Backbone interact. energy: 2.093 local terms energy: -359.147140 where: bonds (distance) C4'-P energy: -104.850 bonds (distance) P-C4' energy: -103.241 flat angles C4'-P-C4' energy: -72.529 flat angles P-C4'-P energy: -71.848 tors. eta vs tors. theta energy: -6.680 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: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -476.007456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.007456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.007456 (E_RNA) where: Base-Base interactions energy: -152.216 where: short stacking energy: -94.953 Base-Backbone interact. energy: 3.189 local terms energy: -326.980992 where: bonds (distance) C4'-P energy: -105.091 bonds (distance) P-C4' energy: -102.602 flat angles C4'-P-C4' energy: -86.832 flat angles P-C4'-P energy: -48.066 tors. eta vs tors. theta energy: 15.610 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: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2054.480337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.480337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.480337 (E_RNA) where: Base-Base interactions energy: -1413.079 where: short stacking energy: -619.318 Base-Backbone interact. energy: -4.642 local terms energy: -636.759691 where: bonds (distance) C4'-P energy: -121.879 bonds (distance) P-C4' energy: -112.027 flat angles C4'-P-C4' energy: -129.170 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -179.305 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: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1938.457733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.457733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.457733 (E_RNA) where: Base-Base interactions energy: -1336.023 where: short stacking energy: -588.388 Base-Backbone interact. energy: -1.863 local terms energy: -600.571888 where: bonds (distance) C4'-P energy: -109.312 bonds (distance) P-C4' energy: -97.447 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -88.262 tors. eta vs tors. theta energy: -174.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1879.214048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.214048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.214048 (E_RNA) where: Base-Base interactions energy: -1274.720 where: short stacking energy: -560.840 Base-Backbone interact. energy: -5.208 local terms energy: -599.286650 where: bonds (distance) C4'-P energy: -103.355 bonds (distance) P-C4' energy: -104.695 flat angles C4'-P-C4' energy: -145.125 flat angles P-C4'-P energy: -87.837 tors. eta vs tors. theta energy: -158.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1801.818772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.818772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.818772 (E_RNA) where: Base-Base interactions energy: -1218.748 where: short stacking energy: -548.637 Base-Backbone interact. energy: -0.781 local terms energy: -582.290022 where: bonds (distance) C4'-P energy: -103.871 bonds (distance) P-C4' energy: -111.793 flat angles C4'-P-C4' energy: -129.890 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: -156.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1629.008177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.008177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.008177 (E_RNA) where: Base-Base interactions energy: -1096.080 where: short stacking energy: -469.773 Base-Backbone interact. energy: 1.078 local terms energy: -534.005942 where: bonds (distance) C4'-P energy: -96.822 bonds (distance) P-C4' energy: -103.009 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -75.027 tors. eta vs tors. theta energy: -132.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1428.122515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.122515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.122515 (E_RNA) where: Base-Base interactions energy: -907.232 where: short stacking energy: -404.490 Base-Backbone interact. energy: -0.186 local terms energy: -520.705018 where: bonds (distance) C4'-P energy: -100.149 bonds (distance) P-C4' energy: -106.075 flat angles C4'-P-C4' energy: -118.796 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -101.931 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: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1240.663523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.663523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.663523 (E_RNA) where: Base-Base interactions energy: -810.077 where: short stacking energy: -353.838 Base-Backbone interact. energy: 4.085 local terms energy: -434.671056 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -98.347 flat angles C4'-P-C4' energy: -93.839 flat angles P-C4'-P energy: -60.486 tors. eta vs tors. theta energy: -85.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1123.965407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.965407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.965407 (E_RNA) where: Base-Base interactions energy: -687.143 where: short stacking energy: -336.083 Base-Backbone interact. energy: -2.311 local terms energy: -434.512019 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -102.902 flat angles C4'-P-C4' energy: -97.949 flat angles P-C4'-P energy: -66.963 tors. eta vs tors. theta energy: -73.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -768.908389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.908389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.908389 (E_RNA) where: Base-Base interactions energy: -438.393 where: short stacking energy: -236.194 Base-Backbone interact. energy: -1.594 local terms energy: -328.920954 where: bonds (distance) C4'-P energy: -85.776 bonds (distance) P-C4' energy: -90.150 flat angles C4'-P-C4' energy: -87.676 flat angles P-C4'-P energy: -42.423 tors. eta vs tors. theta energy: -22.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -468.487359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.487359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.487359 (E_RNA) where: Base-Base interactions energy: -177.485 where: short stacking energy: -120.856 Base-Backbone interact. energy: -0.411 local terms energy: -290.591008 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -101.484 flat angles C4'-P-C4' energy: -94.713 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: 20.440 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: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2078.204306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.204306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.204306 (E_RNA) where: Base-Base interactions energy: -1430.728 where: short stacking energy: -636.591 Base-Backbone interact. energy: 0.211 local terms energy: -647.687456 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -116.299 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -98.027 tors. eta vs tors. theta energy: -182.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1928.079041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.079041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.079041 (E_RNA) where: Base-Base interactions energy: -1336.329 where: short stacking energy: -610.143 Base-Backbone interact. energy: -2.254 local terms energy: -589.495433 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -110.847 flat angles C4'-P-C4' energy: -123.816 flat angles P-C4'-P energy: -79.885 tors. eta vs tors. theta energy: -167.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1880.224162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.224162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.224162 (E_RNA) where: Base-Base interactions energy: -1269.724 where: short stacking energy: -559.573 Base-Backbone interact. energy: -2.823 local terms energy: -607.677455 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -115.649 flat angles C4'-P-C4' energy: -130.847 flat angles P-C4'-P energy: -83.638 tors. eta vs tors. theta energy: -174.247 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: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1768.604149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.604149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.604149 (E_RNA) where: Base-Base interactions energy: -1215.774 where: short stacking energy: -509.386 Base-Backbone interact. energy: -0.225 local terms energy: -552.604873 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -119.504 flat angles C4'-P-C4' energy: -108.342 flat angles P-C4'-P energy: -74.354 tors. eta vs tors. theta energy: -137.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1656.776645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.776645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.776645 (E_RNA) where: Base-Base interactions energy: -1096.678 where: short stacking energy: -463.923 Base-Backbone interact. energy: -2.196 local terms energy: -557.903142 where: bonds (distance) C4'-P energy: -111.000 bonds (distance) P-C4' energy: -109.973 flat angles C4'-P-C4' energy: -109.882 flat angles P-C4'-P energy: -82.579 tors. eta vs tors. theta energy: -144.469 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: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1410.626765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.626765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.626765 (E_RNA) where: Base-Base interactions energy: -940.528 where: short stacking energy: -413.222 Base-Backbone interact. energy: -2.541 local terms energy: -467.557345 where: bonds (distance) C4'-P energy: -103.657 bonds (distance) P-C4' energy: -100.187 flat angles C4'-P-C4' energy: -102.550 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -97.888 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: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1233.559698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.559698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.559698 (E_RNA) where: Base-Base interactions energy: -799.240 where: short stacking energy: -324.859 Base-Backbone interact. energy: -0.201 local terms energy: -434.119637 where: bonds (distance) C4'-P energy: -104.558 bonds (distance) P-C4' energy: -101.017 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -72.842 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: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1080.154368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.154368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.154368 (E_RNA) where: Base-Base interactions energy: -674.248 where: short stacking energy: -312.402 Base-Backbone interact. energy: -1.329 local terms energy: -404.577520 where: bonds (distance) C4'-P energy: -93.660 bonds (distance) P-C4' energy: -101.132 flat angles C4'-P-C4' energy: -97.696 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -59.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -751.818323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.818323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.818323 (E_RNA) where: Base-Base interactions energy: -403.512 where: short stacking energy: -236.955 Base-Backbone interact. energy: 0.218 local terms energy: -348.525004 where: bonds (distance) C4'-P energy: -77.130 bonds (distance) P-C4' energy: -116.118 flat angles C4'-P-C4' energy: -80.979 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -26.738 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: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -489.796603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.796603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.796603 (E_RNA) where: Base-Base interactions energy: -187.230 where: short stacking energy: -110.748 Base-Backbone interact. energy: -1.502 local terms energy: -301.064253 where: bonds (distance) C4'-P energy: -84.676 bonds (distance) P-C4' energy: -85.151 flat angles C4'-P-C4' energy: -85.819 flat angles P-C4'-P energy: -62.338 tors. eta vs tors. theta energy: 16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2057.440093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.440093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.440093 (E_RNA) where: Base-Base interactions energy: -1427.932 where: short stacking energy: -616.981 Base-Backbone interact. energy: -2.363 local terms energy: -627.145607 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -111.064 flat angles C4'-P-C4' energy: -137.524 flat angles P-C4'-P energy: -89.618 tors. eta vs tors. theta energy: -178.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1929.679053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.679053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.679053 (E_RNA) where: Base-Base interactions energy: -1299.399 where: short stacking energy: -583.510 Base-Backbone interact. energy: -1.558 local terms energy: -628.722732 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -125.740 flat angles C4'-P-C4' energy: -136.857 flat angles P-C4'-P energy: -77.387 tors. eta vs tors. theta energy: -177.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1870.485312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.485312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.485312 (E_RNA) where: Base-Base interactions energy: -1274.913 where: short stacking energy: -535.512 Base-Backbone interact. energy: -3.746 local terms energy: -591.825664 where: bonds (distance) C4'-P energy: -98.080 bonds (distance) P-C4' energy: -120.201 flat angles C4'-P-C4' energy: -125.935 flat angles P-C4'-P energy: -79.740 tors. eta vs tors. theta energy: -167.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1765.993010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.993010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.993010 (E_RNA) where: Base-Base interactions energy: -1191.438 where: short stacking energy: -509.752 Base-Backbone interact. energy: -2.678 local terms energy: -571.876551 where: bonds (distance) C4'-P energy: -109.098 bonds (distance) P-C4' energy: -116.091 flat angles C4'-P-C4' energy: -124.784 flat angles P-C4'-P energy: -75.207 tors. eta vs tors. theta energy: -146.696 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: 461 Temperature: 1.100000 Total energy: -1615.529137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.529137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.529137 (E_RNA) where: Base-Base interactions energy: -1082.799 where: short stacking energy: -466.455 Base-Backbone interact. energy: 1.425 local terms energy: -534.155619 where: bonds (distance) C4'-P energy: -111.390 bonds (distance) P-C4' energy: -118.663 flat angles C4'-P-C4' energy: -111.456 flat angles P-C4'-P energy: -68.885 tors. eta vs tors. theta energy: -123.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1385.023092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.023092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.023092 (E_RNA) where: Base-Base interactions energy: -915.712 where: short stacking energy: -411.758 Base-Backbone interact. energy: -2.588 local terms energy: -466.723195 where: bonds (distance) C4'-P energy: -82.565 bonds (distance) P-C4' energy: -102.547 flat angles C4'-P-C4' energy: -110.015 flat angles P-C4'-P energy: -77.598 tors. eta vs tors. theta energy: -93.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1195.756002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.756002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.756002 (E_RNA) where: Base-Base interactions energy: -768.961 where: short stacking energy: -341.716 Base-Backbone interact. energy: -3.167 local terms energy: -423.627835 where: bonds (distance) C4'-P energy: -87.187 bonds (distance) P-C4' energy: -105.621 flat angles C4'-P-C4' energy: -103.277 flat angles P-C4'-P energy: -50.012 tors. eta vs tors. theta energy: -77.530 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: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1039.242043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.242043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.242043 (E_RNA) where: Base-Base interactions energy: -609.271 where: short stacking energy: -289.140 Base-Backbone interact. energy: 2.538 local terms energy: -432.509532 where: bonds (distance) C4'-P energy: -94.661 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -102.098 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -64.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -803.286751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.286751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.286751 (E_RNA) where: Base-Base interactions energy: -451.171 where: short stacking energy: -211.226 Base-Backbone interact. energy: -1.254 local terms energy: -350.861298 where: bonds (distance) C4'-P energy: -85.606 bonds (distance) P-C4' energy: -116.290 flat angles C4'-P-C4' energy: -90.519 flat angles P-C4'-P energy: -36.765 tors. eta vs tors. theta energy: -21.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -469.684321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.684321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.684321 (E_RNA) where: Base-Base interactions energy: -175.111 where: short stacking energy: -149.701 Base-Backbone interact. energy: -2.376 local terms energy: -292.197788 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -63.439 flat angles P-C4'-P energy: -63.382 tors. eta vs tors. theta energy: 19.952 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: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2046.894183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.894183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.894183 (E_RNA) where: Base-Base interactions energy: -1427.880 where: short stacking energy: -601.598 Base-Backbone interact. energy: 3.083 local terms energy: -622.097591 where: bonds (distance) C4'-P energy: -103.472 bonds (distance) P-C4' energy: -113.967 flat angles C4'-P-C4' energy: -129.129 flat angles P-C4'-P energy: -92.662 tors. eta vs tors. theta energy: -182.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1967.617723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.617723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.617723 (E_RNA) where: Base-Base interactions energy: -1342.350 where: short stacking energy: -608.403 Base-Backbone interact. energy: -2.974 local terms energy: -622.293122 where: bonds (distance) C4'-P energy: -115.710 bonds (distance) P-C4' energy: -109.489 flat angles C4'-P-C4' energy: -129.038 flat angles P-C4'-P energy: -90.377 tors. eta vs tors. theta energy: -177.680 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: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1884.712806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.712806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.712806 (E_RNA) where: Base-Base interactions energy: -1295.424 where: short stacking energy: -552.063 Base-Backbone interact. energy: -3.866 local terms energy: -585.422726 where: bonds (distance) C4'-P energy: -106.364 bonds (distance) P-C4' energy: -100.180 flat angles C4'-P-C4' energy: -125.381 flat angles P-C4'-P energy: -93.950 tors. eta vs tors. theta energy: -159.549 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: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1790.136890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.136890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.136890 (E_RNA) where: Base-Base interactions energy: -1223.468 where: short stacking energy: -539.007 Base-Backbone interact. energy: 0.370 local terms energy: -567.038730 where: bonds (distance) C4'-P energy: -110.372 bonds (distance) P-C4' energy: -92.407 flat angles C4'-P-C4' energy: -130.320 flat angles P-C4'-P energy: -76.846 tors. eta vs tors. theta energy: -157.094 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: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1640.481497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.481497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.481497 (E_RNA) where: Base-Base interactions energy: -1123.284 where: short stacking energy: -477.808 Base-Backbone interact. energy: -2.036 local terms energy: -515.161638 where: bonds (distance) C4'-P energy: -103.408 bonds (distance) P-C4' energy: -101.867 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -62.790 tors. eta vs tors. theta energy: -138.812 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: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1429.600197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.600197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.600197 (E_RNA) where: Base-Base interactions energy: -942.212 where: short stacking energy: -411.336 Base-Backbone interact. energy: 6.417 local terms energy: -493.804934 where: bonds (distance) C4'-P energy: -100.729 bonds (distance) P-C4' energy: -114.118 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -75.986 tors. eta vs tors. theta energy: -92.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1202.001558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.001558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.001558 (E_RNA) where: Base-Base interactions energy: -751.354 where: short stacking energy: -335.949 Base-Backbone interact. energy: -2.118 local terms energy: -448.529537 where: bonds (distance) C4'-P energy: -96.938 bonds (distance) P-C4' energy: -95.958 flat angles C4'-P-C4' energy: -96.157 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -89.031 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: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1086.883116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.883116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.883116 (E_RNA) where: Base-Base interactions energy: -674.686 where: short stacking energy: -334.878 Base-Backbone interact. energy: -2.524 local terms energy: -409.673275 where: bonds (distance) C4'-P energy: -87.515 bonds (distance) P-C4' energy: -96.702 flat angles C4'-P-C4' energy: -92.079 flat angles P-C4'-P energy: -62.406 tors. eta vs tors. theta energy: -70.971 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: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -833.789436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.789436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.789436 (E_RNA) where: Base-Base interactions energy: -468.450 where: short stacking energy: -242.215 Base-Backbone interact. energy: 1.347 local terms energy: -366.686285 where: bonds (distance) C4'-P energy: -81.352 bonds (distance) P-C4' energy: -94.324 flat angles C4'-P-C4' energy: -94.557 flat angles P-C4'-P energy: -65.868 tors. eta vs tors. theta energy: -30.586 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: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -459.562811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.562811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.562811 (E_RNA) where: Base-Base interactions energy: -165.029 where: short stacking energy: -130.470 Base-Backbone interact. energy: 0.687 local terms energy: -295.221064 where: bonds (distance) C4'-P energy: -99.111 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -79.050 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: 13.281 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: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2065.763550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.763550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.763550 (E_RNA) where: Base-Base interactions energy: -1416.156 where: short stacking energy: -594.070 Base-Backbone interact. energy: -2.547 local terms energy: -647.060441 where: bonds (distance) C4'-P energy: -111.823 bonds (distance) P-C4' energy: -127.228 flat angles C4'-P-C4' energy: -135.734 flat angles P-C4'-P energy: -95.679 tors. eta vs tors. theta energy: -176.597 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: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1918.849472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.849472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.849472 (E_RNA) where: Base-Base interactions energy: -1303.513 where: short stacking energy: -604.249 Base-Backbone interact. energy: -2.795 local terms energy: -612.540598 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -104.680 flat angles C4'-P-C4' energy: -136.567 flat angles P-C4'-P energy: -88.283 tors. eta vs tors. theta energy: -182.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1891.435601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.435601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.435601 (E_RNA) where: Base-Base interactions energy: -1263.555 where: short stacking energy: -533.469 Base-Backbone interact. energy: -2.680 local terms energy: -625.200974 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -99.144 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -84.480 tors. eta vs tors. theta energy: -175.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1767.633773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.633773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.633773 (E_RNA) where: Base-Base interactions energy: -1198.959 where: short stacking energy: -519.623 Base-Backbone interact. energy: -0.246 local terms energy: -568.428267 where: bonds (distance) C4'-P energy: -96.028 bonds (distance) P-C4' energy: -116.011 flat angles C4'-P-C4' energy: -117.746 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -157.475 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: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1635.550231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.550231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.550231 (E_RNA) where: Base-Base interactions energy: -1102.513 where: short stacking energy: -459.204 Base-Backbone interact. energy: -1.366 local terms energy: -531.671228 where: bonds (distance) C4'-P energy: -105.514 bonds (distance) P-C4' energy: -99.453 flat angles C4'-P-C4' energy: -125.254 flat angles P-C4'-P energy: -82.910 tors. eta vs tors. theta energy: -118.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1481.539339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.539339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.539339 (E_RNA) where: Base-Base interactions energy: -982.385 where: short stacking energy: -434.737 Base-Backbone interact. energy: -0.068 local terms energy: -499.086335 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -107.629 flat angles C4'-P-C4' energy: -113.075 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -116.061 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: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1200.100799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.100799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.100799 (E_RNA) where: Base-Base interactions energy: -773.161 where: short stacking energy: -361.514 Base-Backbone interact. energy: -0.832 local terms energy: -426.107654 where: bonds (distance) C4'-P energy: -95.706 bonds (distance) P-C4' energy: -90.760 flat angles C4'-P-C4' energy: -98.773 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -77.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1055.560840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.560840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.560840 (E_RNA) where: Base-Base interactions energy: -654.820 where: short stacking energy: -307.918 Base-Backbone interact. energy: 4.696 local terms energy: -405.436869 where: bonds (distance) C4'-P energy: -80.786 bonds (distance) P-C4' energy: -96.419 flat angles C4'-P-C4' energy: -109.587 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -61.966 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: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -889.035799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.035799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.035799 (E_RNA) where: Base-Base interactions energy: -503.489 where: short stacking energy: -286.879 Base-Backbone interact. energy: -1.417 local terms energy: -384.129475 where: bonds (distance) C4'-P energy: -89.546 bonds (distance) P-C4' energy: -81.684 flat angles C4'-P-C4' energy: -89.754 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -58.501 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: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -445.739412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.739412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.739412 (E_RNA) where: Base-Base interactions energy: -122.021 where: short stacking energy: -116.957 Base-Backbone interact. energy: -0.074 local terms energy: -323.644123 where: bonds (distance) C4'-P energy: -99.196 bonds (distance) P-C4' energy: -111.997 flat angles C4'-P-C4' energy: -69.279 flat angles P-C4'-P energy: -62.768 tors. eta vs tors. theta energy: 19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2044.501900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.501900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.501900 (E_RNA) where: Base-Base interactions energy: -1398.786 where: short stacking energy: -611.281 Base-Backbone interact. energy: -3.663 local terms energy: -642.053223 where: bonds (distance) C4'-P energy: -108.923 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -132.284 flat angles P-C4'-P energy: -89.555 tors. eta vs tors. theta energy: -181.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1917.479421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.479421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.479421 (E_RNA) where: Base-Base interactions energy: -1305.745 where: short stacking energy: -593.773 Base-Backbone interact. energy: -3.401 local terms energy: -608.332970 where: bonds (distance) C4'-P energy: -101.227 bonds (distance) P-C4' energy: -111.190 flat angles C4'-P-C4' energy: -124.309 flat angles P-C4'-P energy: -93.939 tors. eta vs tors. theta energy: -177.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1883.756624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.756624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.756624 (E_RNA) where: Base-Base interactions energy: -1290.695 where: short stacking energy: -546.830 Base-Backbone interact. energy: -4.744 local terms energy: -588.318321 where: bonds (distance) C4'-P energy: -102.889 bonds (distance) P-C4' energy: -112.656 flat angles C4'-P-C4' energy: -124.575 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: -172.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1772.130425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.130425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.130425 (E_RNA) where: Base-Base interactions energy: -1198.013 where: short stacking energy: -531.664 Base-Backbone interact. energy: -1.753 local terms energy: -572.363852 where: bonds (distance) C4'-P energy: -114.750 bonds (distance) P-C4' energy: -118.333 flat angles C4'-P-C4' energy: -119.462 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -155.340 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: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1509.455295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.455295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.455295 (E_RNA) where: Base-Base interactions energy: -994.095 where: short stacking energy: -428.883 Base-Backbone interact. energy: 0.972 local terms energy: -516.332826 where: bonds (distance) C4'-P energy: -110.854 bonds (distance) P-C4' energy: -103.856 flat angles C4'-P-C4' energy: -124.986 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -107.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1565.402569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.402569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.402569 (E_RNA) where: Base-Base interactions energy: -1073.681 where: short stacking energy: -455.665 Base-Backbone interact. energy: -0.514 local terms energy: -491.207521 where: bonds (distance) C4'-P energy: -92.408 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -109.531 flat angles P-C4'-P energy: -75.629 tors. eta vs tors. theta energy: -123.795 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: 464 Temperature: 1.200000 Total energy: -1194.043108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.043108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.043108 (E_RNA) where: Base-Base interactions energy: -800.155 where: short stacking energy: -357.123 Base-Backbone interact. energy: -0.117 local terms energy: -393.771070 where: bonds (distance) C4'-P energy: -83.708 bonds (distance) P-C4' energy: -94.201 flat angles C4'-P-C4' energy: -88.834 flat angles P-C4'-P energy: -60.611 tors. eta vs tors. theta energy: -66.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1092.959157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.959157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.959157 (E_RNA) where: Base-Base interactions energy: -658.654 where: short stacking energy: -333.785 Base-Backbone interact. energy: 1.331 local terms energy: -435.636126 where: bonds (distance) C4'-P energy: -107.151 bonds (distance) P-C4' energy: -94.844 flat angles C4'-P-C4' energy: -105.760 flat angles P-C4'-P energy: -50.430 tors. eta vs tors. theta energy: -77.451 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: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -758.923501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.923501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.923501 (E_RNA) where: Base-Base interactions energy: -412.794 where: short stacking energy: -210.091 Base-Backbone interact. energy: 1.522 local terms energy: -347.651688 where: bonds (distance) C4'-P energy: -87.739 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -91.483 flat angles P-C4'-P energy: -48.639 tors. eta vs tors. theta energy: -18.014 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -442.686676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.686676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.686676 (E_RNA) where: Base-Base interactions energy: -160.937 where: short stacking energy: -132.925 Base-Backbone interact. energy: 3.320 local terms energy: -285.069954 where: bonds (distance) C4'-P energy: -107.292 bonds (distance) P-C4' energy: -85.031 flat angles C4'-P-C4' energy: -66.251 flat angles P-C4'-P energy: -42.458 tors. eta vs tors. theta energy: 15.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2037.933288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.933288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.933288 (E_RNA) where: Base-Base interactions energy: -1419.041 where: short stacking energy: -611.032 Base-Backbone interact. energy: -1.501 local terms energy: -617.391145 where: bonds (distance) C4'-P energy: -114.233 bonds (distance) P-C4' energy: -103.491 flat angles C4'-P-C4' energy: -136.225 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -181.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1933.455702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.455702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.455702 (E_RNA) where: Base-Base interactions energy: -1318.119 where: short stacking energy: -599.752 Base-Backbone interact. energy: -4.068 local terms energy: -611.268717 where: bonds (distance) C4'-P energy: -117.695 bonds (distance) P-C4' energy: -104.492 flat angles C4'-P-C4' energy: -141.832 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -162.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1886.844102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.844102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.844102 (E_RNA) where: Base-Base interactions energy: -1311.696 where: short stacking energy: -546.631 Base-Backbone interact. energy: -3.139 local terms energy: -572.009344 where: bonds (distance) C4'-P energy: -97.271 bonds (distance) P-C4' energy: -98.027 flat angles C4'-P-C4' energy: -116.529 flat angles P-C4'-P energy: -86.633 tors. eta vs tors. theta energy: -173.550 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: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1787.086154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.086154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.086154 (E_RNA) where: Base-Base interactions energy: -1221.762 where: short stacking energy: -532.000 Base-Backbone interact. energy: -2.670 local terms energy: -562.654707 where: bonds (distance) C4'-P energy: -96.460 bonds (distance) P-C4' energy: -107.467 flat angles C4'-P-C4' energy: -118.337 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -168.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1527.422356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.422356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.422356 (E_RNA) where: Base-Base interactions energy: -1021.175 where: short stacking energy: -441.623 Base-Backbone interact. energy: -1.183 local terms energy: -505.063993 where: bonds (distance) C4'-P energy: -103.087 bonds (distance) P-C4' energy: -114.845 flat angles C4'-P-C4' energy: -114.762 flat angles P-C4'-P energy: -68.635 tors. eta vs tors. theta energy: -103.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1564.601289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.601289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.601289 (E_RNA) where: Base-Base interactions energy: -1084.403 where: short stacking energy: -467.871 Base-Backbone interact. energy: 1.618 local terms energy: -481.816246 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -96.942 flat angles C4'-P-C4' energy: -112.580 flat angles P-C4'-P energy: -77.343 tors. eta vs tors. theta energy: -109.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1282.177545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.177545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.177545 (E_RNA) where: Base-Base interactions energy: -837.304 where: short stacking energy: -382.058 Base-Backbone interact. energy: 1.781 local terms energy: -446.654569 where: bonds (distance) C4'-P energy: -96.095 bonds (distance) P-C4' energy: -110.705 flat angles C4'-P-C4' energy: -101.424 flat angles P-C4'-P energy: -58.848 tors. eta vs tors. theta energy: -79.582 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: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1114.533768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.533768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.533768 (E_RNA) where: Base-Base interactions energy: -687.923 where: short stacking energy: -347.360 Base-Backbone interact. energy: 1.658 local terms energy: -428.269275 where: bonds (distance) C4'-P energy: -98.460 bonds (distance) P-C4' energy: -107.042 flat angles C4'-P-C4' energy: -94.433 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -63.046 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: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -781.034736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.034736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.034736 (E_RNA) where: Base-Base interactions energy: -438.918 where: short stacking energy: -237.375 Base-Backbone interact. energy: -1.135 local terms energy: -340.981817 where: bonds (distance) C4'-P energy: -83.480 bonds (distance) P-C4' energy: -77.777 flat angles C4'-P-C4' energy: -94.774 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -30.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -439.199161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.199161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.199161 (E_RNA) where: Base-Base interactions energy: -146.250 where: short stacking energy: -141.225 Base-Backbone interact. energy: 2.506 local terms energy: -295.455465 where: bonds (distance) C4'-P energy: -96.352 bonds (distance) P-C4' energy: -115.751 flat angles C4'-P-C4' energy: -70.359 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: 38.336 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: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2056.983232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.983232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.983232 (E_RNA) where: Base-Base interactions energy: -1398.752 where: short stacking energy: -625.447 Base-Backbone interact. energy: -2.846 local terms energy: -655.384985 where: bonds (distance) C4'-P energy: -119.759 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -140.091 flat angles P-C4'-P energy: -88.280 tors. eta vs tors. theta energy: -188.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1921.825454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.825454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.825454 (E_RNA) where: Base-Base interactions energy: -1312.235 where: short stacking energy: -583.515 Base-Backbone interact. energy: -0.851 local terms energy: -608.739289 where: bonds (distance) C4'-P energy: -110.131 bonds (distance) P-C4' energy: -109.025 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -85.722 tors. eta vs tors. theta energy: -167.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1884.377930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.377930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.377930 (E_RNA) where: Base-Base interactions energy: -1296.653 where: short stacking energy: -546.489 Base-Backbone interact. energy: 1.345 local terms energy: -589.069505 where: bonds (distance) C4'-P energy: -107.319 bonds (distance) P-C4' energy: -106.480 flat angles C4'-P-C4' energy: -124.504 flat angles P-C4'-P energy: -84.527 tors. eta vs tors. theta energy: -166.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1775.135610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.135610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.135610 (E_RNA) where: Base-Base interactions energy: -1199.248 where: short stacking energy: -519.262 Base-Backbone interact. energy: -2.063 local terms energy: -573.825301 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -102.592 flat angles C4'-P-C4' energy: -113.483 flat angles P-C4'-P energy: -88.508 tors. eta vs tors. theta energy: -156.508 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: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1538.123642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.123642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.123642 (E_RNA) where: Base-Base interactions energy: -1049.007 where: short stacking energy: -433.285 Base-Backbone interact. energy: -3.027 local terms energy: -486.089315 where: bonds (distance) C4'-P energy: -95.661 bonds (distance) P-C4' energy: -90.924 flat angles C4'-P-C4' energy: -115.831 flat angles P-C4'-P energy: -78.483 tors. eta vs tors. theta energy: -105.190 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: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1463.360197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.360197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.360197 (E_RNA) where: Base-Base interactions energy: -989.215 where: short stacking energy: -422.498 Base-Backbone interact. energy: 0.226 local terms energy: -474.372011 where: bonds (distance) C4'-P energy: -87.360 bonds (distance) P-C4' energy: -113.000 flat angles C4'-P-C4' energy: -101.478 flat angles P-C4'-P energy: -69.590 tors. eta vs tors. theta energy: -102.943 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: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1294.856673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.856673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.856673 (E_RNA) where: Base-Base interactions energy: -852.341 where: short stacking energy: -361.398 Base-Backbone interact. energy: -2.481 local terms energy: -440.034499 where: bonds (distance) C4'-P energy: -89.767 bonds (distance) P-C4' energy: -97.597 flat angles C4'-P-C4' energy: -104.887 flat angles P-C4'-P energy: -70.829 tors. eta vs tors. theta energy: -76.955 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: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1123.445849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.445849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.445849 (E_RNA) where: Base-Base interactions energy: -693.941 where: short stacking energy: -353.367 Base-Backbone interact. energy: 0.143 local terms energy: -429.648171 where: bonds (distance) C4'-P energy: -94.030 bonds (distance) P-C4' energy: -91.361 flat angles C4'-P-C4' energy: -105.723 flat angles P-C4'-P energy: -63.331 tors. eta vs tors. theta energy: -75.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -760.268133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.268133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.268133 (E_RNA) where: Base-Base interactions energy: -422.323 where: short stacking energy: -224.901 Base-Backbone interact. energy: 2.939 local terms energy: -340.884270 where: bonds (distance) C4'-P energy: -91.027 bonds (distance) P-C4' energy: -98.259 flat angles C4'-P-C4' energy: -77.255 flat angles P-C4'-P energy: -60.381 tors. eta vs tors. theta energy: -13.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -446.170576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.170576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.170576 (E_RNA) where: Base-Base interactions energy: -142.191 where: short stacking energy: -125.983 Base-Backbone interact. energy: -1.161 local terms energy: -302.817880 where: bonds (distance) C4'-P energy: -84.438 bonds (distance) P-C4' energy: -112.629 flat angles C4'-P-C4' energy: -81.653 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: 11.635 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: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2068.400074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.400074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.400074 (E_RNA) where: Base-Base interactions energy: -1422.375 where: short stacking energy: -609.391 Base-Backbone interact. energy: 1.589 local terms energy: -647.614580 where: bonds (distance) C4'-P energy: -116.723 bonds (distance) P-C4' energy: -119.333 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -98.382 tors. eta vs tors. theta energy: -179.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1932.145324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.145324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.145324 (E_RNA) where: Base-Base interactions energy: -1299.881 where: short stacking energy: -541.925 Base-Backbone interact. energy: -4.452 local terms energy: -627.812326 where: bonds (distance) C4'-P energy: -118.312 bonds (distance) P-C4' energy: -119.592 flat angles C4'-P-C4' energy: -132.134 flat angles P-C4'-P energy: -91.235 tors. eta vs tors. theta energy: -166.540 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: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1865.531779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.531779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.531779 (E_RNA) where: Base-Base interactions energy: -1266.944 where: short stacking energy: -573.165 Base-Backbone interact. energy: -0.118 local terms energy: -598.468943 where: bonds (distance) C4'-P energy: -113.584 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -132.831 flat angles P-C4'-P energy: -86.300 tors. eta vs tors. theta energy: -166.528 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: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1759.184873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.184873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.184873 (E_RNA) where: Base-Base interactions energy: -1186.638 where: short stacking energy: -531.185 Base-Backbone interact. energy: 2.379 local terms energy: -574.926064 where: bonds (distance) C4'-P energy: -107.233 bonds (distance) P-C4' energy: -108.642 flat angles C4'-P-C4' energy: -127.648 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -158.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1550.286787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.286787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.286787 (E_RNA) where: Base-Base interactions energy: -1062.167 where: short stacking energy: -468.376 Base-Backbone interact. energy: 2.352 local terms energy: -490.472576 where: bonds (distance) C4'-P energy: -111.675 bonds (distance) P-C4' energy: -86.325 flat angles C4'-P-C4' energy: -112.807 flat angles P-C4'-P energy: -71.468 tors. eta vs tors. theta energy: -108.197 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: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1427.032647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.032647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.032647 (E_RNA) where: Base-Base interactions energy: -926.517 where: short stacking energy: -403.005 Base-Backbone interact. energy: -1.210 local terms energy: -499.305506 where: bonds (distance) C4'-P energy: -114.182 bonds (distance) P-C4' energy: -111.307 flat angles C4'-P-C4' energy: -112.410 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -97.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1268.390436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.390436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.390436 (E_RNA) where: Base-Base interactions energy: -816.018 where: short stacking energy: -354.567 Base-Backbone interact. energy: -1.381 local terms energy: -450.991213 where: bonds (distance) C4'-P energy: -87.569 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -107.625 flat angles P-C4'-P energy: -62.795 tors. eta vs tors. theta energy: -83.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1063.739768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.739768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.739768 (E_RNA) where: Base-Base interactions energy: -660.642 where: short stacking energy: -330.697 Base-Backbone interact. energy: -0.009 local terms energy: -403.088422 where: bonds (distance) C4'-P energy: -82.816 bonds (distance) P-C4' energy: -100.393 flat angles C4'-P-C4' energy: -86.065 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -72.679 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: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -743.940205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.940205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.940205 (E_RNA) where: Base-Base interactions energy: -386.780 where: short stacking energy: -229.642 Base-Backbone interact. energy: -1.395 local terms energy: -355.765980 where: bonds (distance) C4'-P energy: -81.752 bonds (distance) P-C4' energy: -107.235 flat angles C4'-P-C4' energy: -86.870 flat angles P-C4'-P energy: -42.486 tors. eta vs tors. theta energy: -37.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -455.600718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.600718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.600718 (E_RNA) where: Base-Base interactions energy: -139.949 where: short stacking energy: -109.596 Base-Backbone interact. energy: -2.408 local terms energy: -313.243759 where: bonds (distance) C4'-P energy: -107.909 bonds (distance) P-C4' energy: -108.289 flat angles C4'-P-C4' energy: -87.004 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: 24.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2058.139066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.139066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.139066 (E_RNA) where: Base-Base interactions energy: -1423.221 where: short stacking energy: -619.862 Base-Backbone interact. energy: -1.504 local terms energy: -633.413884 where: bonds (distance) C4'-P energy: -112.829 bonds (distance) P-C4' energy: -112.033 flat angles C4'-P-C4' energy: -133.506 flat angles P-C4'-P energy: -88.943 tors. eta vs tors. theta energy: -186.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1962.367854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.367854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.367854 (E_RNA) where: Base-Base interactions energy: -1357.340 where: short stacking energy: -605.357 Base-Backbone interact. energy: -0.443 local terms energy: -604.584899 where: bonds (distance) C4'-P energy: -104.267 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -134.427 flat angles P-C4'-P energy: -88.882 tors. eta vs tors. theta energy: -174.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1828.044130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.044130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.044130 (E_RNA) where: Base-Base interactions energy: -1242.212 where: short stacking energy: -536.599 Base-Backbone interact. energy: -3.702 local terms energy: -582.130646 where: bonds (distance) C4'-P energy: -103.663 bonds (distance) P-C4' energy: -118.369 flat angles C4'-P-C4' energy: -117.264 flat angles P-C4'-P energy: -86.565 tors. eta vs tors. theta energy: -156.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1765.278601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.278601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.278601 (E_RNA) where: Base-Base interactions energy: -1203.127 where: short stacking energy: -518.274 Base-Backbone interact. energy: -2.445 local terms energy: -559.706815 where: bonds (distance) C4'-P energy: -101.825 bonds (distance) P-C4' energy: -107.987 flat angles C4'-P-C4' energy: -124.239 flat angles P-C4'-P energy: -75.416 tors. eta vs tors. theta energy: -150.240 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: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1504.968137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.968137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.968137 (E_RNA) where: Base-Base interactions energy: -995.538 where: short stacking energy: -450.593 Base-Backbone interact. energy: -0.135 local terms energy: -509.294869 where: bonds (distance) C4'-P energy: -99.260 bonds (distance) P-C4' energy: -106.075 flat angles C4'-P-C4' energy: -119.862 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: -110.238 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1432.942230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.942230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.942230 (E_RNA) where: Base-Base interactions energy: -927.628 where: short stacking energy: -408.709 Base-Backbone interact. energy: -7.241 local terms energy: -498.073128 where: bonds (distance) C4'-P energy: -103.664 bonds (distance) P-C4' energy: -104.291 flat angles C4'-P-C4' energy: -104.082 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -104.551 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: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1257.894225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.894225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.894225 (E_RNA) where: Base-Base interactions energy: -834.074 where: short stacking energy: -378.339 Base-Backbone interact. energy: 5.314 local terms energy: -429.134875 where: bonds (distance) C4'-P energy: -109.950 bonds (distance) P-C4' energy: -89.415 flat angles C4'-P-C4' energy: -87.652 flat angles P-C4'-P energy: -64.956 tors. eta vs tors. theta energy: -77.162 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: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1026.989500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.989500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.989500 (E_RNA) where: Base-Base interactions energy: -608.251 where: short stacking energy: -286.705 Base-Backbone interact. energy: 0.092 local terms energy: -418.831043 where: bonds (distance) C4'-P energy: -94.835 bonds (distance) P-C4' energy: -94.992 flat angles C4'-P-C4' energy: -104.323 flat angles P-C4'-P energy: -76.106 tors. eta vs tors. theta energy: -48.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -774.255576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.255576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.255576 (E_RNA) where: Base-Base interactions energy: -415.362 where: short stacking energy: -245.463 Base-Backbone interact. energy: -0.477 local terms energy: -358.416971 where: bonds (distance) C4'-P energy: -84.279 bonds (distance) P-C4' energy: -95.333 flat angles C4'-P-C4' energy: -88.501 flat angles P-C4'-P energy: -55.967 tors. eta vs tors. theta energy: -34.336 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: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -469.766754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.766754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.766754 (E_RNA) where: Base-Base interactions energy: -170.064 where: short stacking energy: -112.217 Base-Backbone interact. energy: -0.097 local terms energy: -299.605374 where: bonds (distance) C4'-P energy: -88.134 bonds (distance) P-C4' energy: -86.176 flat angles C4'-P-C4' energy: -89.157 flat angles P-C4'-P energy: -58.974 tors. eta vs tors. theta energy: 22.836 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) out arg RESULTS//1/atpA_UTR-26a23fc4_01 DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2047.375923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.375923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.375923 (E_RNA) where: Base-Base interactions energy: -1428.495 where: short stacking energy: -610.180 Base-Backbone interact. energy: -1.159 local terms energy: -617.722542 where: bonds (distance) C4'-P energy: -97.775 bonds (distance) P-C4' energy: -118.262 flat angles C4'-P-C4' energy: -129.519 flat angles P-C4'-P energy: -88.138 tors. eta vs tors. theta energy: -184.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1947.962645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.962645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.962645 (E_RNA) where: Base-Base interactions energy: -1337.020 where: short stacking energy: -578.846 Base-Backbone interact. energy: -1.705 local terms energy: -609.237388 where: bonds (distance) C4'-P energy: -108.933 bonds (distance) P-C4' energy: -115.662 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -81.631 tors. eta vs tors. theta energy: -170.885 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: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1896.936443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.936443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.936443 (E_RNA) where: Base-Base interactions energy: -1283.961 where: short stacking energy: -584.055 Base-Backbone interact. energy: -4.295 local terms energy: -608.680817 where: bonds (distance) C4'-P energy: -108.188 bonds (distance) P-C4' energy: -113.235 flat angles C4'-P-C4' energy: -129.489 flat angles P-C4'-P energy: -87.454 tors. eta vs tors. theta energy: -170.315 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: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1756.882898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.882898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.882898 (E_RNA) where: Base-Base interactions energy: -1183.534 where: short stacking energy: -509.657 Base-Backbone interact. energy: 0.010 local terms energy: -573.358603 where: bonds (distance) C4'-P energy: -113.685 bonds (distance) P-C4' energy: -103.598 flat angles C4'-P-C4' energy: -121.107 flat angles P-C4'-P energy: -85.034 tors. eta vs tors. theta energy: -149.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1539.289983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.289983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.289983 (E_RNA) where: Base-Base interactions energy: -1022.955 where: short stacking energy: -455.025 Base-Backbone interact. energy: 2.136 local terms energy: -518.470758 where: bonds (distance) C4'-P energy: -107.996 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -119.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1432.253562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.253562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.253562 (E_RNA) where: Base-Base interactions energy: -941.516 where: short stacking energy: -390.575 Base-Backbone interact. energy: -2.813 local terms energy: -487.924077 where: bonds (distance) C4'-P energy: -111.763 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -94.782 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -96.990 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: 1 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1265.043009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.043009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.043009 (E_RNA) where: Base-Base interactions energy: -803.747 where: short stacking energy: -350.981 Base-Backbone interact. energy: -0.569 local terms energy: -460.726859 where: bonds (distance) C4'-P energy: -96.704 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -108.035 flat angles P-C4'-P energy: -64.255 tors. eta vs tors. theta energy: -89.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -995.374628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.374628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.374628 (E_RNA) where: Base-Base interactions energy: -568.685 where: short stacking energy: -278.485 Base-Backbone interact. energy: 0.984 local terms energy: -427.672835 where: bonds (distance) C4'-P energy: -97.920 bonds (distance) P-C4' energy: -101.289 flat angles C4'-P-C4' energy: -95.765 flat angles P-C4'-P energy: -82.560 tors. eta vs tors. theta energy: -50.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -723.331083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.331083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.331083 (E_RNA) where: Base-Base interactions energy: -386.185 where: short stacking energy: -180.730 Base-Backbone interact. energy: 0.062 local terms energy: -337.208330 where: bonds (distance) C4'-P energy: -104.509 bonds (distance) P-C4' energy: -93.117 flat angles C4'-P-C4' energy: -90.021 flat angles P-C4'-P energy: -56.271 tors. eta vs tors. theta energy: 6.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -447.863122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.863122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.863122 (E_RNA) where: Base-Base interactions energy: -182.184 where: short stacking energy: -158.504 Base-Backbone interact. energy: 7.232 local terms energy: -272.911461 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -81.698 flat angles C4'-P-C4' energy: -82.579 flat angles P-C4'-P energy: -46.587 tors. eta vs tors. theta energy: 13.840 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)