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/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mtb.rRNA-90cb4f87/inputs/seq.fa: 1 curr_seq: _UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUGUAAGUGUCUAAGGGCGCAUGGUGGAUGCCUUGGCAUCGAGAGCCGAUGAAGGACGUGGGAGGCUGCGAUAUGCCUCGGGGAGCUGUCAACCGAGCGUGGAUCCGAGGAUUUCCGAAUGGGGAAACCCAGCACGAGUGAUGUCGUGCUACCCGCAUCUGAAUAUAUAGGGUGCGGGAGGGAACGCGGGGAAGUGAAACAUCUCAGUACCCGUAGGAGGAGAAAACAAUUGUGAUUCCGCAAGUAGUGGCGAGCGAACGCGGAACAGGCUAAACCGCACGCAUGGGUAACCGGGUAGGG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 300 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1227.194202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.194202 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1427.340429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.340429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.340429 (E_RNA) where: Base-Base interactions energy: -603.535 where: short stacking energy: -603.535 Base-Backbone interact. energy: -0.208 local terms energy: -823.597499 where: bonds (distance) C4'-P energy: -183.256 bonds (distance) P-C4' energy: -202.116 flat angles C4'-P-C4' energy: -180.857 flat angles P-C4'-P energy: -112.753 tors. eta vs tors. theta energy: -144.615 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1370.621646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.621646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.621646 (E_RNA) where: Base-Base interactions energy: -556.548 where: short stacking energy: -549.718 Base-Backbone interact. energy: -0.386 local terms energy: -813.686788 where: bonds (distance) C4'-P energy: -182.254 bonds (distance) P-C4' energy: -201.903 flat angles C4'-P-C4' energy: -178.531 flat angles P-C4'-P energy: -126.122 tors. eta vs tors. theta energy: -124.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1289.888018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.888018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.888018 (E_RNA) where: Base-Base interactions energy: -527.292 where: short stacking energy: -522.928 Base-Backbone interact. energy: -0.156 local terms energy: -762.439529 where: bonds (distance) C4'-P energy: -183.678 bonds (distance) P-C4' energy: -189.669 flat angles C4'-P-C4' energy: -165.868 flat angles P-C4'-P energy: -110.079 tors. eta vs tors. theta energy: -113.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1258.336680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.336680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.336680 (E_RNA) where: Base-Base interactions energy: -337.047 where: short stacking energy: -337.047 Base-Backbone interact. energy: -0.001 local terms energy: -921.289044 where: bonds (distance) C4'-P energy: -185.535 bonds (distance) P-C4' energy: -173.799 flat angles C4'-P-C4' energy: -212.875 flat angles P-C4'-P energy: -202.676 tors. eta vs tors. theta energy: -146.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1239.119681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.119681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.119681 (E_RNA) where: Base-Base interactions energy: -134.612 where: short stacking energy: -134.612 Base-Backbone interact. energy: 0.086 local terms energy: -1104.593906 where: bonds (distance) C4'-P energy: -260.607 bonds (distance) P-C4' energy: -232.635 flat angles C4'-P-C4' energy: -223.806 flat angles P-C4'-P energy: -241.216 tors. eta vs tors. theta energy: -146.330 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1245.329586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.329586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.329586 (E_RNA) where: Base-Base interactions energy: -132.035 where: short stacking energy: -132.035 Base-Backbone interact. energy: -0.000 local terms energy: -1113.294488 where: bonds (distance) C4'-P energy: -262.569 bonds (distance) P-C4' energy: -237.449 flat angles C4'-P-C4' energy: -224.620 flat angles P-C4'-P energy: -242.734 tors. eta vs tors. theta energy: -145.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1239.590902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.590902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.590902 (E_RNA) where: Base-Base interactions energy: -134.784 where: short stacking energy: -134.784 Base-Backbone interact. energy: -0.000 local terms energy: -1104.806360 where: bonds (distance) C4'-P energy: -262.579 bonds (distance) P-C4' energy: -229.010 flat angles C4'-P-C4' energy: -226.713 flat angles P-C4'-P energy: -241.345 tors. eta vs tors. theta energy: -145.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1227.201699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.201699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.201699 (E_RNA) where: Base-Base interactions energy: -62.403 where: short stacking energy: -62.403 Base-Backbone interact. energy: -0.000 local terms energy: -1164.798124 where: bonds (distance) C4'-P energy: -290.592 bonds (distance) P-C4' energy: -267.265 flat angles C4'-P-C4' energy: -220.568 flat angles P-C4'-P energy: -251.522 tors. eta vs tors. theta energy: -134.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1231.251314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.251314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.251314 (E_RNA) where: Base-Base interactions energy: -97.857 where: short stacking energy: -97.857 Base-Backbone interact. energy: -0.000 local terms energy: -1133.394306 where: bonds (distance) C4'-P energy: -277.883 bonds (distance) P-C4' energy: -248.927 flat angles C4'-P-C4' energy: -220.198 flat angles P-C4'-P energy: -247.676 tors. eta vs tors. theta energy: -138.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1227.829318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.829318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.829318 (E_RNA) where: Base-Base interactions energy: -63.166 where: short stacking energy: -63.166 Base-Backbone interact. energy: -0.000 local terms energy: -1164.663150 where: bonds (distance) C4'-P energy: -290.592 bonds (distance) P-C4' energy: -267.265 flat angles C4'-P-C4' energy: -220.568 flat angles P-C4'-P energy: -251.387 tors. eta vs tors. theta energy: -134.851 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1559.231493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.231493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.231493 (E_RNA) where: Base-Base interactions energy: -685.737 where: short stacking energy: -679.034 Base-Backbone interact. energy: -0.674 local terms energy: -872.819956 where: bonds (distance) C4'-P energy: -189.904 bonds (distance) P-C4' energy: -204.404 flat angles C4'-P-C4' energy: -191.699 flat angles P-C4'-P energy: -116.530 tors. eta vs tors. theta energy: -170.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1401.075159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.075159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.075159 (E_RNA) where: Base-Base interactions energy: -596.224 where: short stacking energy: -589.931 Base-Backbone interact. energy: -0.137 local terms energy: -804.714214 where: bonds (distance) C4'-P energy: -199.375 bonds (distance) P-C4' energy: -182.605 flat angles C4'-P-C4' energy: -185.647 flat angles P-C4'-P energy: -103.174 tors. eta vs tors. theta energy: -133.913 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: 3 Temperature: 1.000000 Total energy: -1308.122410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.122410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.122410 (E_RNA) where: Base-Base interactions energy: -565.640 where: short stacking energy: -543.155 Base-Backbone interact. energy: -0.626 local terms energy: -741.856363 where: bonds (distance) C4'-P energy: -156.571 bonds (distance) P-C4' energy: -191.485 flat angles C4'-P-C4' energy: -171.083 flat angles P-C4'-P energy: -112.120 tors. eta vs tors. theta energy: -110.597 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1227.121257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.121257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.121257 (E_RNA) where: Base-Base interactions energy: -500.664 where: short stacking energy: -493.389 Base-Backbone interact. energy: -0.650 local terms energy: -725.807868 where: bonds (distance) C4'-P energy: -165.214 bonds (distance) P-C4' energy: -187.304 flat angles C4'-P-C4' energy: -171.129 flat angles P-C4'-P energy: -102.279 tors. eta vs tors. theta energy: -99.882 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1096.434749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.434749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.434749 (E_RNA) where: Base-Base interactions energy: -429.621 where: short stacking energy: -394.024 Base-Backbone interact. energy: 0.521 local terms energy: -667.334610 where: bonds (distance) C4'-P energy: -163.573 bonds (distance) P-C4' energy: -188.516 flat angles C4'-P-C4' energy: -167.107 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: -76.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1070.292009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.292009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.292009 (E_RNA) where: Base-Base interactions energy: -407.886 where: short stacking energy: -392.170 Base-Backbone interact. energy: -1.096 local terms energy: -661.310814 where: bonds (distance) C4'-P energy: -162.605 bonds (distance) P-C4' energy: -162.747 flat angles C4'-P-C4' energy: -178.677 flat angles P-C4'-P energy: -78.087 tors. eta vs tors. theta energy: -79.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -962.448859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.448859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.448859 (E_RNA) where: Base-Base interactions energy: -343.597 where: short stacking energy: -333.716 Base-Backbone interact. energy: -0.625 local terms energy: -618.227373 where: bonds (distance) C4'-P energy: -154.146 bonds (distance) P-C4' energy: -156.357 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -69.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -850.105520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.105520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.105520 (E_RNA) where: Base-Base interactions energy: -275.970 where: short stacking energy: -270.867 Base-Backbone interact. energy: 1.213 local terms energy: -575.348513 where: bonds (distance) C4'-P energy: -157.643 bonds (distance) P-C4' energy: -163.329 flat angles C4'-P-C4' energy: -142.723 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -27.533 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: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -806.884524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.884524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.884524 (E_RNA) where: Base-Base interactions energy: -274.384 where: short stacking energy: -244.286 Base-Backbone interact. energy: 3.867 local terms energy: -536.367061 where: bonds (distance) C4'-P energy: -151.999 bonds (distance) P-C4' energy: -153.253 flat angles C4'-P-C4' energy: -159.661 flat angles P-C4'-P energy: -80.072 tors. eta vs tors. theta energy: 8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -772.033356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.033356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.033356 (E_RNA) where: Base-Base interactions energy: -258.597 where: short stacking energy: -245.243 Base-Backbone interact. energy: 3.681 local terms energy: -517.117207 where: bonds (distance) C4'-P energy: -156.356 bonds (distance) P-C4' energy: -150.960 flat angles C4'-P-C4' energy: -115.098 flat angles P-C4'-P energy: -77.142 tors. eta vs tors. theta energy: -17.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1543.431470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.431470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.431470 (E_RNA) where: Base-Base interactions energy: -674.572 where: short stacking energy: -666.369 Base-Backbone interact. energy: 1.425 local terms energy: -870.284445 where: bonds (distance) C4'-P energy: -188.378 bonds (distance) P-C4' energy: -196.696 flat angles C4'-P-C4' energy: -203.447 flat angles P-C4'-P energy: -118.465 tors. eta vs tors. theta energy: -163.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1385.205261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.205261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.205261 (E_RNA) where: Base-Base interactions energy: -579.326 where: short stacking energy: -573.418 Base-Backbone interact. energy: -0.504 local terms energy: -805.375761 where: bonds (distance) C4'-P energy: -178.718 bonds (distance) P-C4' energy: -206.968 flat angles C4'-P-C4' energy: -166.476 flat angles P-C4'-P energy: -127.934 tors. eta vs tors. theta energy: -125.279 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: 4 Temperature: 1.000000 Total energy: -1357.365510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.365510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.365510 (E_RNA) where: Base-Base interactions energy: -596.900 where: short stacking energy: -558.301 Base-Backbone interact. energy: 4.677 local terms energy: -765.142437 where: bonds (distance) C4'-P energy: -154.320 bonds (distance) P-C4' energy: -196.258 flat angles C4'-P-C4' energy: -178.828 flat angles P-C4'-P energy: -111.163 tors. eta vs tors. theta energy: -124.572 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1216.887702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.887702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.887702 (E_RNA) where: Base-Base interactions energy: -543.258 where: short stacking energy: -517.454 Base-Backbone interact. energy: -1.523 local terms energy: -672.107030 where: bonds (distance) C4'-P energy: -159.068 bonds (distance) P-C4' energy: -171.121 flat angles C4'-P-C4' energy: -159.872 flat angles P-C4'-P energy: -101.216 tors. eta vs tors. theta energy: -80.830 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1140.453178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.453178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.453178 (E_RNA) where: Base-Base interactions energy: -462.536 where: short stacking energy: -440.128 Base-Backbone interact. energy: -1.158 local terms energy: -676.758910 where: bonds (distance) C4'-P energy: -162.187 bonds (distance) P-C4' energy: -180.650 flat angles C4'-P-C4' energy: -159.287 flat angles P-C4'-P energy: -102.481 tors. eta vs tors. theta energy: -72.154 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1014.304078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.304078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.304078 (E_RNA) where: Base-Base interactions energy: -380.876 where: short stacking energy: -360.339 Base-Backbone interact. energy: 2.708 local terms energy: -636.136752 where: bonds (distance) C4'-P energy: -158.982 bonds (distance) P-C4' energy: -165.338 flat angles C4'-P-C4' energy: -158.698 flat angles P-C4'-P energy: -99.584 tors. eta vs tors. theta energy: -53.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -885.670910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.670910 (E_RNA) where: Base-Base interactions energy: -318.206 where: short stacking energy: -264.343 Base-Backbone interact. energy: 0.018 local terms energy: -567.482868 where: bonds (distance) C4'-P energy: -156.744 bonds (distance) P-C4' energy: -170.341 flat angles C4'-P-C4' energy: -144.922 flat angles P-C4'-P energy: -92.917 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -860.037601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.037601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.037601 (E_RNA) where: Base-Base interactions energy: -310.627 where: short stacking energy: -280.841 Base-Backbone interact. energy: -2.695 local terms energy: -546.715856 where: bonds (distance) C4'-P energy: -154.213 bonds (distance) P-C4' energy: -184.745 flat angles C4'-P-C4' energy: -117.167 flat angles P-C4'-P energy: -77.661 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -783.956083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.956083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.956083 (E_RNA) where: Base-Base interactions energy: -257.472 where: short stacking energy: -230.820 Base-Backbone interact. energy: -2.318 local terms energy: -524.165781 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -174.392 flat angles C4'-P-C4' energy: -145.628 flat angles P-C4'-P energy: -93.122 tors. eta vs tors. theta energy: 22.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -708.039733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.039733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.039733 (E_RNA) where: Base-Base interactions energy: -179.786 where: short stacking energy: -155.737 Base-Backbone interact. energy: 0.289 local terms energy: -528.542263 where: bonds (distance) C4'-P energy: -168.682 bonds (distance) P-C4' energy: -177.748 flat angles C4'-P-C4' energy: -122.902 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: 23.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1543.890564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.890564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.890564 (E_RNA) where: Base-Base interactions energy: -696.440 where: short stacking energy: -680.731 Base-Backbone interact. energy: 1.497 local terms energy: -848.947048 where: bonds (distance) C4'-P energy: -196.909 bonds (distance) P-C4' energy: -182.547 flat angles C4'-P-C4' energy: -201.434 flat angles P-C4'-P energy: -116.035 tors. eta vs tors. theta energy: -152.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1501.082641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.082641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.082641 (E_RNA) where: Base-Base interactions energy: -660.622 where: short stacking energy: -611.090 Base-Backbone interact. energy: -0.884 local terms energy: -839.577322 where: bonds (distance) C4'-P energy: -196.051 bonds (distance) P-C4' energy: -167.943 flat angles C4'-P-C4' energy: -195.822 flat angles P-C4'-P energy: -121.614 tors. eta vs tors. theta energy: -158.148 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: 5 Temperature: 1.000000 Total energy: -1370.277175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.277175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.277175 (E_RNA) where: Base-Base interactions energy: -611.697 where: short stacking energy: -570.566 Base-Backbone interact. energy: -0.578 local terms energy: -758.002135 where: bonds (distance) C4'-P energy: -176.733 bonds (distance) P-C4' energy: -181.010 flat angles C4'-P-C4' energy: -174.097 flat angles P-C4'-P energy: -112.137 tors. eta vs tors. theta energy: -114.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1248.417290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.417290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.417290 (E_RNA) where: Base-Base interactions energy: -521.835 where: short stacking energy: -469.773 Base-Backbone interact. energy: -0.739 local terms energy: -725.843200 where: bonds (distance) C4'-P energy: -174.911 bonds (distance) P-C4' energy: -178.410 flat angles C4'-P-C4' energy: -181.129 flat angles P-C4'-P energy: -111.930 tors. eta vs tors. theta energy: -79.462 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1150.677653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.677653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.677653 (E_RNA) where: Base-Base interactions energy: -463.287 where: short stacking energy: -410.572 Base-Backbone interact. energy: -1.541 local terms energy: -685.849557 where: bonds (distance) C4'-P energy: -170.727 bonds (distance) P-C4' energy: -189.515 flat angles C4'-P-C4' energy: -163.710 flat angles P-C4'-P energy: -95.269 tors. eta vs tors. theta energy: -66.628 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: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1027.033526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.033526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.033526 (E_RNA) where: Base-Base interactions energy: -413.281 where: short stacking energy: -358.286 Base-Backbone interact. energy: -0.866 local terms energy: -612.886567 where: bonds (distance) C4'-P energy: -161.204 bonds (distance) P-C4' energy: -151.467 flat angles C4'-P-C4' energy: -164.855 flat angles P-C4'-P energy: -103.192 tors. eta vs tors. theta energy: -32.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -918.174899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.174899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.174899 (E_RNA) where: Base-Base interactions energy: -383.193 where: short stacking energy: -296.942 Base-Backbone interact. energy: 3.261 local terms energy: -538.243197 where: bonds (distance) C4'-P energy: -167.265 bonds (distance) P-C4' energy: -164.982 flat angles C4'-P-C4' energy: -137.166 flat angles P-C4'-P energy: -61.216 tors. eta vs tors. theta energy: -7.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -805.554666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.554666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.554666 (E_RNA) where: Base-Base interactions energy: -301.526 where: short stacking energy: -263.565 Base-Backbone interact. energy: 0.332 local terms energy: -504.360951 where: bonds (distance) C4'-P energy: -142.635 bonds (distance) P-C4' energy: -155.489 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -76.952 tors. eta vs tors. theta energy: 7.668 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: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -792.054692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.054692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.054692 (E_RNA) where: Base-Base interactions energy: -310.074 where: short stacking energy: -249.965 Base-Backbone interact. energy: -2.518 local terms energy: -479.462150 where: bonds (distance) C4'-P energy: -146.039 bonds (distance) P-C4' energy: -158.918 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -73.071 tors. eta vs tors. theta energy: 27.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -749.627647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.627647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.627647 (E_RNA) where: Base-Base interactions energy: -262.033 where: short stacking energy: -215.253 Base-Backbone interact. energy: 2.317 local terms energy: -489.911497 where: bonds (distance) C4'-P energy: -161.509 bonds (distance) P-C4' energy: -147.502 flat angles C4'-P-C4' energy: -109.410 flat angles P-C4'-P energy: -86.259 tors. eta vs tors. theta energy: 14.768 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1608.636870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.636870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.636870 (E_RNA) where: Base-Base interactions energy: -734.399 where: short stacking energy: -708.131 Base-Backbone interact. energy: -1.463 local terms energy: -872.775275 where: bonds (distance) C4'-P energy: -185.160 bonds (distance) P-C4' energy: -183.533 flat angles C4'-P-C4' energy: -194.862 flat angles P-C4'-P energy: -120.932 tors. eta vs tors. theta energy: -188.289 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1513.854175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.854175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.854175 (E_RNA) where: Base-Base interactions energy: -726.976 where: short stacking energy: -587.062 Base-Backbone interact. energy: -1.032 local terms energy: -785.846650 where: bonds (distance) C4'-P energy: -178.235 bonds (distance) P-C4' energy: -173.023 flat angles C4'-P-C4' energy: -176.618 flat angles P-C4'-P energy: -115.306 tors. eta vs tors. theta energy: -142.665 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: 6 Temperature: 1.000000 Total energy: -1362.916288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.916288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.916288 (E_RNA) where: Base-Base interactions energy: -635.890 where: short stacking energy: -535.680 Base-Backbone interact. energy: -1.723 local terms energy: -725.303328 where: bonds (distance) C4'-P energy: -160.021 bonds (distance) P-C4' energy: -177.326 flat angles C4'-P-C4' energy: -181.094 flat angles P-C4'-P energy: -102.357 tors. eta vs tors. theta energy: -104.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1219.115281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.115281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.115281 (E_RNA) where: Base-Base interactions energy: -543.742 where: short stacking energy: -470.035 Base-Backbone interact. energy: -0.850 local terms energy: -674.523368 where: bonds (distance) C4'-P energy: -163.791 bonds (distance) P-C4' energy: -169.764 flat angles C4'-P-C4' energy: -149.595 flat angles P-C4'-P energy: -109.869 tors. eta vs tors. theta energy: -81.505 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1131.804682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.804682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.804682 (E_RNA) where: Base-Base interactions energy: -479.294 where: short stacking energy: -401.506 Base-Backbone interact. energy: 3.517 local terms energy: -656.028385 where: bonds (distance) C4'-P energy: -162.226 bonds (distance) P-C4' energy: -184.137 flat angles C4'-P-C4' energy: -161.864 flat angles P-C4'-P energy: -112.562 tors. eta vs tors. theta energy: -35.240 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1036.674916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.674916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.674916 (E_RNA) where: Base-Base interactions energy: -460.848 where: short stacking energy: -357.542 Base-Backbone interact. energy: 3.029 local terms energy: -578.855827 where: bonds (distance) C4'-P energy: -174.316 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -149.276 flat angles P-C4'-P energy: -88.124 tors. eta vs tors. theta energy: -24.755 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -950.453475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.453475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.453475 (E_RNA) where: Base-Base interactions energy: -391.870 where: short stacking energy: -335.410 Base-Backbone interact. energy: 0.267 local terms energy: -558.850153 where: bonds (distance) C4'-P energy: -152.572 bonds (distance) P-C4' energy: -165.118 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -24.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -817.580152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.580152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.580152 (E_RNA) where: Base-Base interactions energy: -312.463 where: short stacking energy: -262.223 Base-Backbone interact. energy: 0.559 local terms energy: -505.676740 where: bonds (distance) C4'-P energy: -157.381 bonds (distance) P-C4' energy: -170.291 flat angles C4'-P-C4' energy: -138.563 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: 12.559 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: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -812.498170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.498170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.498170 (E_RNA) where: Base-Base interactions energy: -307.780 where: short stacking energy: -239.650 Base-Backbone interact. energy: 4.562 local terms energy: -509.280949 where: bonds (distance) C4'-P energy: -148.481 bonds (distance) P-C4' energy: -171.239 flat angles C4'-P-C4' energy: -130.764 flat angles P-C4'-P energy: -74.224 tors. eta vs tors. theta energy: 15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -751.992671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.992671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.992671 (E_RNA) where: Base-Base interactions energy: -296.175 where: short stacking energy: -217.866 Base-Backbone interact. energy: 1.729 local terms energy: -457.546083 where: bonds (distance) C4'-P energy: -144.117 bonds (distance) P-C4' energy: -163.388 flat angles C4'-P-C4' energy: -104.671 flat angles P-C4'-P energy: -67.482 tors. eta vs tors. theta energy: 22.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1640.476638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.476638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.476638 (E_RNA) where: Base-Base interactions energy: -772.411 where: short stacking energy: -750.633 Base-Backbone interact. energy: -1.226 local terms energy: -866.839535 where: bonds (distance) C4'-P energy: -171.287 bonds (distance) P-C4' energy: -185.507 flat angles C4'-P-C4' energy: -186.371 flat angles P-C4'-P energy: -124.506 tors. eta vs tors. theta energy: -199.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1642.990517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.990517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.990517 (E_RNA) where: Base-Base interactions energy: -815.917 where: short stacking energy: -691.526 Base-Backbone interact. energy: -1.735 local terms energy: -825.338562 where: bonds (distance) C4'-P energy: -182.298 bonds (distance) P-C4' energy: -187.606 flat angles C4'-P-C4' energy: -199.704 flat angles P-C4'-P energy: -103.110 tors. eta vs tors. theta energy: -152.620 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1422.560253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.560253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.560253 (E_RNA) where: Base-Base interactions energy: -667.057 where: short stacking energy: -555.342 Base-Backbone interact. energy: -3.316 local terms energy: -752.186878 where: bonds (distance) C4'-P energy: -169.645 bonds (distance) P-C4' energy: -184.064 flat angles C4'-P-C4' energy: -194.240 flat angles P-C4'-P energy: -106.649 tors. eta vs tors. theta energy: -97.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1269.659811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.659811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.659811 (E_RNA) where: Base-Base interactions energy: -600.470 where: short stacking energy: -504.630 Base-Backbone interact. energy: 2.989 local terms energy: -672.178925 where: bonds (distance) C4'-P energy: -151.564 bonds (distance) P-C4' energy: -163.158 flat angles C4'-P-C4' energy: -159.124 flat angles P-C4'-P energy: -96.577 tors. eta vs tors. theta energy: -101.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1167.753168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.753168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.753168 (E_RNA) where: Base-Base interactions energy: -532.605 where: short stacking energy: -422.809 Base-Backbone interact. energy: -2.944 local terms energy: -632.204058 where: bonds (distance) C4'-P energy: -165.092 bonds (distance) P-C4' energy: -165.305 flat angles C4'-P-C4' energy: -148.173 flat angles P-C4'-P energy: -94.310 tors. eta vs tors. theta energy: -59.323 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1049.718672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.718672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.718672 (E_RNA) where: Base-Base interactions energy: -444.480 where: short stacking energy: -362.104 Base-Backbone interact. energy: -1.506 local terms energy: -603.732385 where: bonds (distance) C4'-P energy: -165.329 bonds (distance) P-C4' energy: -157.177 flat angles C4'-P-C4' energy: -139.788 flat angles P-C4'-P energy: -105.274 tors. eta vs tors. theta energy: -36.164 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: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -920.637770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.637770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.637770 (E_RNA) where: Base-Base interactions energy: -353.670 where: short stacking energy: -336.897 Base-Backbone interact. energy: 7.201 local terms energy: -574.168135 where: bonds (distance) C4'-P energy: -150.343 bonds (distance) P-C4' energy: -167.360 flat angles C4'-P-C4' energy: -151.151 flat angles P-C4'-P energy: -89.156 tors. eta vs tors. theta energy: -16.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -878.846579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.846579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.846579 (E_RNA) where: Base-Base interactions energy: -359.535 where: short stacking energy: -297.488 Base-Backbone interact. energy: -2.569 local terms energy: -516.742841 where: bonds (distance) C4'-P energy: -158.536 bonds (distance) P-C4' energy: -158.019 flat angles C4'-P-C4' energy: -119.881 flat angles P-C4'-P energy: -81.223 tors. eta vs tors. theta energy: 0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -732.412015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.412015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.412015 (E_RNA) where: Base-Base interactions energy: -264.665 where: short stacking energy: -220.752 Base-Backbone interact. energy: 5.027 local terms energy: -472.773915 where: bonds (distance) C4'-P energy: -142.636 bonds (distance) P-C4' energy: -158.018 flat angles C4'-P-C4' energy: -132.487 flat angles P-C4'-P energy: -65.572 tors. eta vs tors. theta energy: 25.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -720.579837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.579837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.579837 (E_RNA) where: Base-Base interactions energy: -274.694 where: short stacking energy: -217.045 Base-Backbone interact. energy: 1.890 local terms energy: -447.775040 where: bonds (distance) C4'-P energy: -134.617 bonds (distance) P-C4' energy: -143.646 flat angles C4'-P-C4' energy: -119.556 flat angles P-C4'-P energy: -64.318 tors. eta vs tors. theta energy: 14.362 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: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1784.276610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.276610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.276610 (E_RNA) where: Base-Base interactions energy: -897.756 where: short stacking energy: -742.156 Base-Backbone interact. energy: -3.946 local terms energy: -882.574105 where: bonds (distance) C4'-P energy: -187.997 bonds (distance) P-C4' energy: -175.957 flat angles C4'-P-C4' energy: -194.085 flat angles P-C4'-P energy: -141.496 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1479.764775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.764775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.764775 (E_RNA) where: Base-Base interactions energy: -677.274 where: short stacking energy: -654.759 Base-Backbone interact. energy: -2.561 local terms energy: -799.929698 where: bonds (distance) C4'-P energy: -166.637 bonds (distance) P-C4' energy: -193.701 flat angles C4'-P-C4' energy: -193.714 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -142.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1436.765202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.765202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.765202 (E_RNA) where: Base-Base interactions energy: -729.374 where: short stacking energy: -587.841 Base-Backbone interact. energy: -3.560 local terms energy: -703.831511 where: bonds (distance) C4'-P energy: -156.494 bonds (distance) P-C4' energy: -182.909 flat angles C4'-P-C4' energy: -167.903 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -98.923 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1283.448976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.448976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.448976 (E_RNA) where: Base-Base interactions energy: -577.063 where: short stacking energy: -490.968 Base-Backbone interact. energy: -0.428 local terms energy: -705.957733 where: bonds (distance) C4'-P energy: -151.683 bonds (distance) P-C4' energy: -180.601 flat angles C4'-P-C4' energy: -180.956 flat angles P-C4'-P energy: -115.537 tors. eta vs tors. theta energy: -77.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1221.589898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.589898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.589898 (E_RNA) where: Base-Base interactions energy: -589.148 where: short stacking energy: -416.220 Base-Backbone interact. energy: -4.150 local terms energy: -628.292744 where: bonds (distance) C4'-P energy: -162.536 bonds (distance) P-C4' energy: -166.303 flat angles C4'-P-C4' energy: -157.718 flat angles P-C4'-P energy: -95.460 tors. eta vs tors. theta energy: -46.276 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: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1034.149838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.149838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.149838 (E_RNA) where: Base-Base interactions energy: -458.037 where: short stacking energy: -372.071 Base-Backbone interact. energy: 5.088 local terms energy: -581.201323 where: bonds (distance) C4'-P energy: -149.225 bonds (distance) P-C4' energy: -159.930 flat angles C4'-P-C4' energy: -146.157 flat angles P-C4'-P energy: -103.676 tors. eta vs tors. theta energy: -22.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -946.101846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.101846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.101846 (E_RNA) where: Base-Base interactions energy: -398.800 where: short stacking energy: -306.410 Base-Backbone interact. energy: -2.234 local terms energy: -545.067740 where: bonds (distance) C4'-P energy: -163.364 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -143.671 flat angles P-C4'-P energy: -97.662 tors. eta vs tors. theta energy: 5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -844.035419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.035419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.035419 (E_RNA) where: Base-Base interactions energy: -304.949 where: short stacking energy: -285.221 Base-Backbone interact. energy: 8.111 local terms energy: -547.197518 where: bonds (distance) C4'-P energy: -163.133 bonds (distance) P-C4' energy: -164.974 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -85.225 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: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -774.487907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.487907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.487907 (E_RNA) where: Base-Base interactions energy: -256.508 where: short stacking energy: -220.465 Base-Backbone interact. energy: -2.777 local terms energy: -515.202877 where: bonds (distance) C4'-P energy: -144.039 bonds (distance) P-C4' energy: -149.937 flat angles C4'-P-C4' energy: -136.832 flat angles P-C4'-P energy: -91.619 tors. eta vs tors. theta energy: 7.224 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: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -723.023736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.023736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.023736 (E_RNA) where: Base-Base interactions energy: -290.768 where: short stacking energy: -231.298 Base-Backbone interact. energy: -2.057 local terms energy: -430.198555 where: bonds (distance) C4'-P energy: -130.778 bonds (distance) P-C4' energy: -143.507 flat angles C4'-P-C4' energy: -121.857 flat angles P-C4'-P energy: -51.889 tors. eta vs tors. theta energy: 17.832 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: 9 Temperature: 0.900000 Total energy: -1781.458955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.458955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.458955 (E_RNA) where: Base-Base interactions energy: -929.064 where: short stacking energy: -734.699 Base-Backbone interact. energy: 1.987 local terms energy: -854.382041 where: bonds (distance) C4'-P energy: -180.836 bonds (distance) P-C4' energy: -178.442 flat angles C4'-P-C4' energy: -194.734 flat angles P-C4'-P energy: -124.284 tors. eta vs tors. theta energy: -176.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1533.961224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.961224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.961224 (E_RNA) where: Base-Base interactions energy: -692.592 where: short stacking energy: -629.182 Base-Backbone interact. energy: -1.849 local terms energy: -839.520450 where: bonds (distance) C4'-P energy: -179.491 bonds (distance) P-C4' energy: -186.493 flat angles C4'-P-C4' energy: -187.445 flat angles P-C4'-P energy: -134.177 tors. eta vs tors. theta energy: -151.914 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: 9 Temperature: 1.000000 Total energy: -1457.528644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.528644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.528644 (E_RNA) where: Base-Base interactions energy: -713.151 where: short stacking energy: -560.854 Base-Backbone interact. energy: -1.993 local terms energy: -742.384841 where: bonds (distance) C4'-P energy: -159.526 bonds (distance) P-C4' energy: -182.080 flat angles C4'-P-C4' energy: -176.952 flat angles P-C4'-P energy: -120.303 tors. eta vs tors. theta energy: -103.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1441.386880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.386880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.386880 (E_RNA) where: Base-Base interactions energy: -726.471 where: short stacking energy: -527.781 Base-Backbone interact. energy: -0.357 local terms energy: -714.558845 where: bonds (distance) C4'-P energy: -152.657 bonds (distance) P-C4' energy: -186.846 flat angles C4'-P-C4' energy: -160.739 flat angles P-C4'-P energy: -117.101 tors. eta vs tors. theta energy: -97.217 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1317.808729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.808729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.808729 (E_RNA) where: Base-Base interactions energy: -639.404 where: short stacking energy: -468.283 Base-Backbone interact. energy: -0.490 local terms energy: -677.914563 where: bonds (distance) C4'-P energy: -162.344 bonds (distance) P-C4' energy: -178.211 flat angles C4'-P-C4' energy: -155.196 flat angles P-C4'-P energy: -106.076 tors. eta vs tors. theta energy: -76.087 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: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1125.145798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.145798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.145798 (E_RNA) where: Base-Base interactions energy: -523.758 where: short stacking energy: -360.172 Base-Backbone interact. energy: 2.887 local terms energy: -604.275024 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -175.044 flat angles C4'-P-C4' energy: -136.853 flat angles P-C4'-P energy: -108.345 tors. eta vs tors. theta energy: -33.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -946.500188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.500188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.500188 (E_RNA) where: Base-Base interactions energy: -355.584 where: short stacking energy: -299.481 Base-Backbone interact. energy: 0.772 local terms energy: -591.687514 where: bonds (distance) C4'-P energy: -169.629 bonds (distance) P-C4' energy: -169.008 flat angles C4'-P-C4' energy: -148.311 flat angles P-C4'-P energy: -82.379 tors. eta vs tors. theta energy: -22.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -906.971092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.971092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.971092 (E_RNA) where: Base-Base interactions energy: -364.519 where: short stacking energy: -332.019 Base-Backbone interact. energy: -1.317 local terms energy: -541.134793 where: bonds (distance) C4'-P energy: -138.925 bonds (distance) P-C4' energy: -154.459 flat angles C4'-P-C4' energy: -146.580 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -14.799 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: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -773.561089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.561089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.561089 (E_RNA) where: Base-Base interactions energy: -309.042 where: short stacking energy: -263.022 Base-Backbone interact. energy: -0.701 local terms energy: -463.817902 where: bonds (distance) C4'-P energy: -144.267 bonds (distance) P-C4' energy: -164.950 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -56.485 tors. eta vs tors. theta energy: 13.039 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: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -749.247397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.247397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.247397 (E_RNA) where: Base-Base interactions energy: -278.492 where: short stacking energy: -236.746 Base-Backbone interact. energy: -3.690 local terms energy: -467.064710 where: bonds (distance) C4'-P energy: -129.331 bonds (distance) P-C4' energy: -159.785 flat angles C4'-P-C4' energy: -117.260 flat angles P-C4'-P energy: -96.777 tors. eta vs tors. theta energy: 36.088 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: 10 Temperature: 0.900000 Total energy: -1810.598975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.598975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.598975 (E_RNA) where: Base-Base interactions energy: -915.140 where: short stacking energy: -713.847 Base-Backbone interact. energy: 0.964 local terms energy: -896.423574 where: bonds (distance) C4'-P energy: -190.620 bonds (distance) P-C4' energy: -200.244 flat angles C4'-P-C4' energy: -212.546 flat angles P-C4'-P energy: -122.274 tors. eta vs tors. theta energy: -170.739 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1557.635781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.635781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.635781 (E_RNA) where: Base-Base interactions energy: -748.094 where: short stacking energy: -646.330 Base-Backbone interact. energy: -5.934 local terms energy: -803.607487 where: bonds (distance) C4'-P energy: -178.521 bonds (distance) P-C4' energy: -171.351 flat angles C4'-P-C4' energy: -186.146 flat angles P-C4'-P energy: -129.113 tors. eta vs tors. theta energy: -138.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1660.046367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.046367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.046367 (E_RNA) where: Base-Base interactions energy: -899.347 where: short stacking energy: -551.170 Base-Backbone interact. energy: 3.608 local terms energy: -764.307951 where: bonds (distance) C4'-P energy: -165.661 bonds (distance) P-C4' energy: -189.868 flat angles C4'-P-C4' energy: -168.210 flat angles P-C4'-P energy: -121.876 tors. eta vs tors. theta energy: -118.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1406.266552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.266552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.266552 (E_RNA) where: Base-Base interactions energy: -698.964 where: short stacking energy: -508.755 Base-Backbone interact. energy: -2.882 local terms energy: -704.421337 where: bonds (distance) C4'-P energy: -163.645 bonds (distance) P-C4' energy: -174.283 flat angles C4'-P-C4' energy: -179.487 flat angles P-C4'-P energy: -100.511 tors. eta vs tors. theta energy: -86.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1360.960702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.960702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.960702 (E_RNA) where: Base-Base interactions energy: -678.892 where: short stacking energy: -455.913 Base-Backbone interact. energy: 1.154 local terms energy: -683.222400 where: bonds (distance) C4'-P energy: -166.818 bonds (distance) P-C4' energy: -162.046 flat angles C4'-P-C4' energy: -162.752 flat angles P-C4'-P energy: -118.911 tors. eta vs tors. theta energy: -72.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1149.605569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.605569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.605569 (E_RNA) where: Base-Base interactions energy: -557.570 where: short stacking energy: -386.731 Base-Backbone interact. energy: 0.831 local terms energy: -592.866760 where: bonds (distance) C4'-P energy: -155.575 bonds (distance) P-C4' energy: -171.003 flat angles C4'-P-C4' energy: -138.312 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -42.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -999.013189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.013189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.013189 (E_RNA) where: Base-Base interactions energy: -449.958 where: short stacking energy: -361.601 Base-Backbone interact. energy: 2.475 local terms energy: -551.530221 where: bonds (distance) C4'-P energy: -148.955 bonds (distance) P-C4' energy: -150.214 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -92.978 tors. eta vs tors. theta energy: -5.137 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: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -955.073889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.073889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.073889 (E_RNA) where: Base-Base interactions energy: -418.829 where: short stacking energy: -271.893 Base-Backbone interact. energy: -0.520 local terms energy: -535.724015 where: bonds (distance) C4'-P energy: -140.705 bonds (distance) P-C4' energy: -163.114 flat angles C4'-P-C4' energy: -150.251 flat angles P-C4'-P energy: -78.758 tors. eta vs tors. theta energy: -2.895 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: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -809.085360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.085360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.085360 (E_RNA) where: Base-Base interactions energy: -336.141 where: short stacking energy: -264.832 Base-Backbone interact. energy: 1.275 local terms energy: -474.219218 where: bonds (distance) C4'-P energy: -141.509 bonds (distance) P-C4' energy: -158.614 flat angles C4'-P-C4' energy: -112.558 flat angles P-C4'-P energy: -63.465 tors. eta vs tors. theta energy: 1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -691.340386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.340386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.340386 (E_RNA) where: Base-Base interactions energy: -239.067 where: short stacking energy: -176.649 Base-Backbone interact. energy: 2.329 local terms energy: -454.601945 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: -167.188 flat angles C4'-P-C4' energy: -136.961 flat angles P-C4'-P energy: -40.995 tors. eta vs tors. theta energy: 39.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1814.607643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.607643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.607643 (E_RNA) where: Base-Base interactions energy: -953.312 where: short stacking energy: -696.564 Base-Backbone interact. energy: -1.554 local terms energy: -859.741184 where: bonds (distance) C4'-P energy: -186.417 bonds (distance) P-C4' energy: -186.675 flat angles C4'-P-C4' energy: -194.497 flat angles P-C4'-P energy: -125.190 tors. eta vs tors. theta energy: -166.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1826.309236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.309236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.309236 (E_RNA) where: Base-Base interactions energy: -1008.655 where: short stacking energy: -663.964 Base-Backbone interact. energy: -3.198 local terms energy: -814.457072 where: bonds (distance) C4'-P energy: -163.277 bonds (distance) P-C4' energy: -196.440 flat angles C4'-P-C4' energy: -194.226 flat angles P-C4'-P energy: -122.044 tors. eta vs tors. theta energy: -138.469 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1565.388693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.388693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.388693 (E_RNA) where: Base-Base interactions energy: -780.093 where: short stacking energy: -628.228 Base-Backbone interact. energy: -3.018 local terms energy: -782.277418 where: bonds (distance) C4'-P energy: -151.459 bonds (distance) P-C4' energy: -184.916 flat angles C4'-P-C4' energy: -191.210 flat angles P-C4'-P energy: -106.102 tors. eta vs tors. theta energy: -148.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1452.775774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.775774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.775774 (E_RNA) where: Base-Base interactions energy: -765.981 where: short stacking energy: -541.831 Base-Backbone interact. energy: 2.317 local terms energy: -689.112001 where: bonds (distance) C4'-P energy: -160.851 bonds (distance) P-C4' energy: -166.589 flat angles C4'-P-C4' energy: -151.727 flat angles P-C4'-P energy: -101.506 tors. eta vs tors. theta energy: -108.440 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: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1341.137945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.137945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.137945 (E_RNA) where: Base-Base interactions energy: -688.476 where: short stacking energy: -474.554 Base-Backbone interact. energy: -2.346 local terms energy: -650.315798 where: bonds (distance) C4'-P energy: -161.237 bonds (distance) P-C4' energy: -163.650 flat angles C4'-P-C4' energy: -159.623 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -73.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1176.963584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.963584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.963584 (E_RNA) where: Base-Base interactions energy: -564.525 where: short stacking energy: -323.748 Base-Backbone interact. energy: -3.696 local terms energy: -608.742465 where: bonds (distance) C4'-P energy: -155.511 bonds (distance) P-C4' energy: -159.053 flat angles C4'-P-C4' energy: -160.302 flat angles P-C4'-P energy: -100.002 tors. eta vs tors. theta energy: -33.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -980.599134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.599134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.599134 (E_RNA) where: Base-Base interactions energy: -412.473 where: short stacking energy: -318.491 Base-Backbone interact. energy: 7.242 local terms energy: -575.367776 where: bonds (distance) C4'-P energy: -165.474 bonds (distance) P-C4' energy: -174.412 flat angles C4'-P-C4' energy: -139.332 flat angles P-C4'-P energy: -77.444 tors. eta vs tors. theta energy: -18.706 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: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1023.696844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.696844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.696844 (E_RNA) where: Base-Base interactions energy: -478.024 where: short stacking energy: -298.184 Base-Backbone interact. energy: 4.083 local terms energy: -549.755975 where: bonds (distance) C4'-P energy: -149.089 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -138.421 flat angles P-C4'-P energy: -97.175 tors. eta vs tors. theta energy: -8.371 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: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -837.612244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.612244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.612244 (E_RNA) where: Base-Base interactions energy: -377.386 where: short stacking energy: -237.616 Base-Backbone interact. energy: 7.140 local terms energy: -467.366151 where: bonds (distance) C4'-P energy: -140.181 bonds (distance) P-C4' energy: -154.355 flat angles C4'-P-C4' energy: -123.930 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: 13.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -742.984791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.984791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.984791 (E_RNA) where: Base-Base interactions energy: -303.055 where: short stacking energy: -237.193 Base-Backbone interact. energy: 5.484 local terms energy: -445.413934 where: bonds (distance) C4'-P energy: -130.032 bonds (distance) P-C4' energy: -164.835 flat angles C4'-P-C4' energy: -117.053 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: 33.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1962.426105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.426105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.426105 (E_RNA) where: Base-Base interactions energy: -1109.215 where: short stacking energy: -687.353 Base-Backbone interact. energy: -3.176 local terms energy: -850.034643 where: bonds (distance) C4'-P energy: -181.763 bonds (distance) P-C4' energy: -187.049 flat angles C4'-P-C4' energy: -196.909 flat angles P-C4'-P energy: -118.967 tors. eta vs tors. theta energy: -165.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1757.276663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.276663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.276663 (E_RNA) where: Base-Base interactions energy: -907.614 where: short stacking energy: -650.141 Base-Backbone interact. energy: -0.920 local terms energy: -848.742146 where: bonds (distance) C4'-P energy: -177.904 bonds (distance) P-C4' energy: -209.588 flat angles C4'-P-C4' energy: -185.005 flat angles P-C4'-P energy: -116.752 tors. eta vs tors. theta energy: -159.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1530.364157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.364157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.364157 (E_RNA) where: Base-Base interactions energy: -815.963 where: short stacking energy: -572.435 Base-Backbone interact. energy: 3.245 local terms energy: -717.646586 where: bonds (distance) C4'-P energy: -173.481 bonds (distance) P-C4' energy: -162.772 flat angles C4'-P-C4' energy: -180.544 flat angles P-C4'-P energy: -85.521 tors. eta vs tors. theta energy: -115.329 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1485.601229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.601229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.601229 (E_RNA) where: Base-Base interactions energy: -749.066 where: short stacking energy: -527.062 Base-Backbone interact. energy: -0.544 local terms energy: -735.990889 where: bonds (distance) C4'-P energy: -156.673 bonds (distance) P-C4' energy: -187.149 flat angles C4'-P-C4' energy: -181.509 flat angles P-C4'-P energy: -95.736 tors. eta vs tors. theta energy: -114.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1359.668910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.668910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.668910 (E_RNA) where: Base-Base interactions energy: -670.745 where: short stacking energy: -483.125 Base-Backbone interact. energy: 3.036 local terms energy: -691.959549 where: bonds (distance) C4'-P energy: -165.685 bonds (distance) P-C4' energy: -179.947 flat angles C4'-P-C4' energy: -164.143 flat angles P-C4'-P energy: -97.892 tors. eta vs tors. theta energy: -84.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1191.222097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.222097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.222097 (E_RNA) where: Base-Base interactions energy: -596.133 where: short stacking energy: -398.411 Base-Backbone interact. energy: 0.685 local terms energy: -595.773742 where: bonds (distance) C4'-P energy: -138.494 bonds (distance) P-C4' energy: -173.711 flat angles C4'-P-C4' energy: -168.059 flat angles P-C4'-P energy: -90.321 tors. eta vs tors. theta energy: -25.189 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: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1080.876179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.876179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.876179 (E_RNA) where: Base-Base interactions energy: -514.375 where: short stacking energy: -385.074 Base-Backbone interact. energy: 2.229 local terms energy: -568.730591 where: bonds (distance) C4'-P energy: -146.820 bonds (distance) P-C4' energy: -157.347 flat angles C4'-P-C4' energy: -145.828 flat angles P-C4'-P energy: -85.916 tors. eta vs tors. theta energy: -32.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -874.002641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.002641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.002641 (E_RNA) where: Base-Base interactions energy: -364.257 where: short stacking energy: -284.183 Base-Backbone interact. energy: -3.438 local terms energy: -506.308496 where: bonds (distance) C4'-P energy: -127.998 bonds (distance) P-C4' energy: -164.471 flat angles C4'-P-C4' energy: -129.610 flat angles P-C4'-P energy: -89.152 tors. eta vs tors. theta energy: 4.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -773.482548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.482548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.482548 (E_RNA) where: Base-Base interactions energy: -300.291 where: short stacking energy: -239.100 Base-Backbone interact. energy: -0.413 local terms energy: -472.778375 where: bonds (distance) C4'-P energy: -163.610 bonds (distance) P-C4' energy: -166.100 flat angles C4'-P-C4' energy: -106.821 flat angles P-C4'-P energy: -52.683 tors. eta vs tors. theta energy: 16.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -824.011399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.011399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.011399 (E_RNA) where: Base-Base interactions energy: -344.311 where: short stacking energy: -243.799 Base-Backbone interact. energy: -2.949 local terms energy: -476.751110 where: bonds (distance) C4'-P energy: -140.486 bonds (distance) P-C4' energy: -164.339 flat angles C4'-P-C4' energy: -131.275 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: 25.425 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: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2051.539525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.539525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.539525 (E_RNA) where: Base-Base interactions energy: -1181.579 where: short stacking energy: -730.457 Base-Backbone interact. energy: -0.223 local terms energy: -869.737874 where: bonds (distance) C4'-P energy: -169.367 bonds (distance) P-C4' energy: -192.157 flat angles C4'-P-C4' energy: -201.630 flat angles P-C4'-P energy: -124.281 tors. eta vs tors. theta energy: -182.303 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: 13 Temperature: 0.950000 Total energy: -1888.585769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.585769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.585769 (E_RNA) where: Base-Base interactions energy: -1043.383 where: short stacking energy: -680.749 Base-Backbone interact. energy: -0.454 local terms energy: -844.748084 where: bonds (distance) C4'-P energy: -185.798 bonds (distance) P-C4' energy: -173.361 flat angles C4'-P-C4' energy: -189.747 flat angles P-C4'-P energy: -112.606 tors. eta vs tors. theta energy: -183.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1614.198359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.198359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.198359 (E_RNA) where: Base-Base interactions energy: -878.885 where: short stacking energy: -589.193 Base-Backbone interact. energy: 0.175 local terms energy: -735.488380 where: bonds (distance) C4'-P energy: -164.023 bonds (distance) P-C4' energy: -169.759 flat angles C4'-P-C4' energy: -165.804 flat angles P-C4'-P energy: -103.773 tors. eta vs tors. theta energy: -132.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1528.262095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.262095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.262095 (E_RNA) where: Base-Base interactions energy: -784.054 where: short stacking energy: -517.743 Base-Backbone interact. energy: 1.431 local terms energy: -745.638696 where: bonds (distance) C4'-P energy: -160.080 bonds (distance) P-C4' energy: -185.015 flat angles C4'-P-C4' energy: -182.051 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -111.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1390.439168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.439168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.439168 (E_RNA) where: Base-Base interactions energy: -721.282 where: short stacking energy: -442.752 Base-Backbone interact. energy: -5.108 local terms energy: -664.048775 where: bonds (distance) C4'-P energy: -161.910 bonds (distance) P-C4' energy: -162.678 flat angles C4'-P-C4' energy: -168.058 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -81.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1158.498388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.498388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.498388 (E_RNA) where: Base-Base interactions energy: -567.103 where: short stacking energy: -385.979 Base-Backbone interact. energy: 2.309 local terms energy: -593.704826 where: bonds (distance) C4'-P energy: -154.531 bonds (distance) P-C4' energy: -157.768 flat angles C4'-P-C4' energy: -149.071 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -41.581 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: 13 Temperature: 1.200000 Total energy: -1116.294532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.294532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.294532 (E_RNA) where: Base-Base interactions energy: -537.198 where: short stacking energy: -368.698 Base-Backbone interact. energy: 4.263 local terms energy: -583.359460 where: bonds (distance) C4'-P energy: -164.959 bonds (distance) P-C4' energy: -168.614 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -79.753 tors. eta vs tors. theta energy: -23.137 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: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -942.253806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.253806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.253806 (E_RNA) where: Base-Base interactions energy: -388.661 where: short stacking energy: -261.273 Base-Backbone interact. energy: -0.485 local terms energy: -553.107940 where: bonds (distance) C4'-P energy: -154.467 bonds (distance) P-C4' energy: -163.140 flat angles C4'-P-C4' energy: -131.268 flat angles P-C4'-P energy: -86.863 tors. eta vs tors. theta energy: -17.370 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: 13 Temperature: 1.300000 Total energy: -841.215871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.215871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.215871 (E_RNA) where: Base-Base interactions energy: -362.179 where: short stacking energy: -268.935 Base-Backbone interact. energy: 7.642 local terms energy: -486.678498 where: bonds (distance) C4'-P energy: -148.763 bonds (distance) P-C4' energy: -154.601 flat angles C4'-P-C4' energy: -113.546 flat angles P-C4'-P energy: -82.079 tors. eta vs tors. theta energy: 12.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -808.946341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.946341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.946341 (E_RNA) where: Base-Base interactions energy: -342.414 where: short stacking energy: -247.939 Base-Backbone interact. energy: 6.656 local terms energy: -473.188618 where: bonds (distance) C4'-P energy: -144.405 bonds (distance) P-C4' energy: -158.657 flat angles C4'-P-C4' energy: -126.017 flat angles P-C4'-P energy: -60.602 tors. eta vs tors. theta energy: 16.493 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: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2082.898412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.898412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.898412 (E_RNA) where: Base-Base interactions energy: -1234.506 where: short stacking energy: -725.239 Base-Backbone interact. energy: -3.960 local terms energy: -844.432038 where: bonds (distance) C4'-P energy: -170.424 bonds (distance) P-C4' energy: -190.660 flat angles C4'-P-C4' energy: -198.496 flat angles P-C4'-P energy: -113.279 tors. eta vs tors. theta energy: -171.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1844.892651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.892651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.892651 (E_RNA) where: Base-Base interactions energy: -1029.831 where: short stacking energy: -664.650 Base-Backbone interact. energy: -4.211 local terms energy: -810.850470 where: bonds (distance) C4'-P energy: -161.175 bonds (distance) P-C4' energy: -185.688 flat angles C4'-P-C4' energy: -188.290 flat angles P-C4'-P energy: -123.921 tors. eta vs tors. theta energy: -151.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1624.047035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.047035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.047035 (E_RNA) where: Base-Base interactions energy: -877.661 where: short stacking energy: -627.558 Base-Backbone interact. energy: 2.853 local terms energy: -749.238572 where: bonds (distance) C4'-P energy: -171.390 bonds (distance) P-C4' energy: -158.884 flat angles C4'-P-C4' energy: -172.940 flat angles P-C4'-P energy: -108.423 tors. eta vs tors. theta energy: -137.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1539.891445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.891445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.891445 (E_RNA) where: Base-Base interactions energy: -796.203 where: short stacking energy: -534.946 Base-Backbone interact. energy: -2.882 local terms energy: -740.806500 where: bonds (distance) C4'-P energy: -158.916 bonds (distance) P-C4' energy: -196.141 flat angles C4'-P-C4' energy: -185.036 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -102.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1540.153015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.153015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.153015 (E_RNA) where: Base-Base interactions energy: -804.828 where: short stacking energy: -497.190 Base-Backbone interact. energy: -2.297 local terms energy: -733.027506 where: bonds (distance) C4'-P energy: -182.914 bonds (distance) P-C4' energy: -190.865 flat angles C4'-P-C4' energy: -155.966 flat angles P-C4'-P energy: -102.498 tors. eta vs tors. theta energy: -100.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1235.794675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.794675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.794675 (E_RNA) where: Base-Base interactions energy: -570.511 where: short stacking energy: -364.977 Base-Backbone interact. energy: 2.713 local terms energy: -667.996853 where: bonds (distance) C4'-P energy: -170.194 bonds (distance) P-C4' energy: -176.879 flat angles C4'-P-C4' energy: -169.559 flat angles P-C4'-P energy: -101.993 tors. eta vs tors. theta energy: -49.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1080.195029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.195029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.195029 (E_RNA) where: Base-Base interactions energy: -535.191 where: short stacking energy: -366.631 Base-Backbone interact. energy: -0.408 local terms energy: -544.596178 where: bonds (distance) C4'-P energy: -144.425 bonds (distance) P-C4' energy: -156.994 flat angles C4'-P-C4' energy: -154.531 flat angles P-C4'-P energy: -64.686 tors. eta vs tors. theta energy: -23.960 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: 14 Temperature: 1.250000 Total energy: -963.685217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.685217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.685217 (E_RNA) where: Base-Base interactions energy: -441.871 where: short stacking energy: -322.789 Base-Backbone interact. energy: -4.059 local terms energy: -517.755538 where: bonds (distance) C4'-P energy: -150.948 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -141.851 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -810.404718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.404718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.404718 (E_RNA) where: Base-Base interactions energy: -322.175 where: short stacking energy: -250.620 Base-Backbone interact. energy: 1.467 local terms energy: -489.696703 where: bonds (distance) C4'-P energy: -153.908 bonds (distance) P-C4' energy: -162.241 flat angles C4'-P-C4' energy: -128.526 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: 28.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -753.369531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.369531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.369531 (E_RNA) where: Base-Base interactions energy: -302.739 where: short stacking energy: -218.808 Base-Backbone interact. energy: 9.836 local terms energy: -460.466445 where: bonds (distance) C4'-P energy: -141.939 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -111.336 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: 9.120 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: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2135.960563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.960563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.960563 (E_RNA) where: Base-Base interactions energy: -1222.413 where: short stacking energy: -749.919 Base-Backbone interact. energy: 0.309 local terms energy: -913.856837 where: bonds (distance) C4'-P energy: -182.810 bonds (distance) P-C4' energy: -176.899 flat angles C4'-P-C4' energy: -204.499 flat angles P-C4'-P energy: -144.064 tors. eta vs tors. theta energy: -205.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1817.366839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.366839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.366839 (E_RNA) where: Base-Base interactions energy: -1012.521 where: short stacking energy: -635.242 Base-Backbone interact. energy: -1.896 local terms energy: -802.949673 where: bonds (distance) C4'-P energy: -186.189 bonds (distance) P-C4' energy: -181.352 flat angles C4'-P-C4' energy: -177.638 flat angles P-C4'-P energy: -111.797 tors. eta vs tors. theta energy: -145.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1645.916954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.916954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.916954 (E_RNA) where: Base-Base interactions energy: -915.887 where: short stacking energy: -579.825 Base-Backbone interact. energy: -2.127 local terms energy: -727.902587 where: bonds (distance) C4'-P energy: -155.354 bonds (distance) P-C4' energy: -163.477 flat angles C4'-P-C4' energy: -188.130 flat angles P-C4'-P energy: -105.760 tors. eta vs tors. theta energy: -115.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1611.724301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.724301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.724301 (E_RNA) where: Base-Base interactions energy: -882.305 where: short stacking energy: -548.294 Base-Backbone interact. energy: -1.039 local terms energy: -728.379584 where: bonds (distance) C4'-P energy: -169.841 bonds (distance) P-C4' energy: -167.837 flat angles C4'-P-C4' energy: -179.608 flat angles P-C4'-P energy: -98.298 tors. eta vs tors. theta energy: -112.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1454.656010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.656010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.656010 (E_RNA) where: Base-Base interactions energy: -790.002 where: short stacking energy: -515.533 Base-Backbone interact. energy: 3.301 local terms energy: -667.955036 where: bonds (distance) C4'-P energy: -141.591 bonds (distance) P-C4' energy: -164.002 flat angles C4'-P-C4' energy: -166.414 flat angles P-C4'-P energy: -97.497 tors. eta vs tors. theta energy: -98.450 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: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1291.899181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.899181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.899181 (E_RNA) where: Base-Base interactions energy: -644.847 where: short stacking energy: -406.786 Base-Backbone interact. energy: 0.760 local terms energy: -647.812239 where: bonds (distance) C4'-P energy: -170.415 bonds (distance) P-C4' energy: -176.949 flat angles C4'-P-C4' energy: -138.252 flat angles P-C4'-P energy: -103.600 tors. eta vs tors. theta energy: -58.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1103.252008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.252008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.252008 (E_RNA) where: Base-Base interactions energy: -518.161 where: short stacking energy: -340.466 Base-Backbone interact. energy: -4.189 local terms energy: -580.901399 where: bonds (distance) C4'-P energy: -144.353 bonds (distance) P-C4' energy: -186.128 flat angles C4'-P-C4' energy: -143.842 flat angles P-C4'-P energy: -95.446 tors. eta vs tors. theta energy: -11.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -930.295023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.295023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.295023 (E_RNA) where: Base-Base interactions energy: -387.770 where: short stacking energy: -289.117 Base-Backbone interact. energy: -2.251 local terms energy: -540.273838 where: bonds (distance) C4'-P energy: -161.642 bonds (distance) P-C4' energy: -162.053 flat angles C4'-P-C4' energy: -128.069 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -847.936858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.936858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.936858 (E_RNA) where: Base-Base interactions energy: -362.014 where: short stacking energy: -286.953 Base-Backbone interact. energy: -0.435 local terms energy: -485.488031 where: bonds (distance) C4'-P energy: -145.268 bonds (distance) P-C4' energy: -140.207 flat angles C4'-P-C4' energy: -147.033 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: 22.770 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -763.988038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.988038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.988038 (E_RNA) where: Base-Base interactions energy: -304.449 where: short stacking energy: -211.318 Base-Backbone interact. energy: 6.263 local terms energy: -465.801270 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -167.328 flat angles C4'-P-C4' energy: -121.893 flat angles P-C4'-P energy: -72.502 tors. eta vs tors. theta energy: 46.260 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: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2170.925033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.925033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.925033 (E_RNA) where: Base-Base interactions energy: -1255.002 where: short stacking energy: -743.491 Base-Backbone interact. energy: -4.470 local terms energy: -911.452942 where: bonds (distance) C4'-P energy: -171.392 bonds (distance) P-C4' energy: -197.148 flat angles C4'-P-C4' energy: -192.020 flat angles P-C4'-P energy: -143.218 tors. eta vs tors. theta energy: -207.675 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: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1835.771843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.771843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.771843 (E_RNA) where: Base-Base interactions energy: -971.306 where: short stacking energy: -681.613 Base-Backbone interact. energy: -1.066 local terms energy: -863.399992 where: bonds (distance) C4'-P energy: -172.064 bonds (distance) P-C4' energy: -190.432 flat angles C4'-P-C4' energy: -204.034 flat angles P-C4'-P energy: -125.213 tors. eta vs tors. theta energy: -171.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1802.492163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.492163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.492163 (E_RNA) where: Base-Base interactions energy: -1043.171 where: short stacking energy: -595.107 Base-Backbone interact. energy: 1.781 local terms energy: -761.102508 where: bonds (distance) C4'-P energy: -173.657 bonds (distance) P-C4' energy: -190.638 flat angles C4'-P-C4' energy: -178.007 flat angles P-C4'-P energy: -98.186 tors. eta vs tors. theta energy: -120.615 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: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1588.045475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.045475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.045475 (E_RNA) where: Base-Base interactions energy: -876.715 where: short stacking energy: -533.139 Base-Backbone interact. energy: -3.219 local terms energy: -708.111451 where: bonds (distance) C4'-P energy: -161.717 bonds (distance) P-C4' energy: -167.644 flat angles C4'-P-C4' energy: -157.580 flat angles P-C4'-P energy: -101.984 tors. eta vs tors. theta energy: -119.187 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: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1369.458643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.458643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.458643 (E_RNA) where: Base-Base interactions energy: -715.919 where: short stacking energy: -478.880 Base-Backbone interact. energy: -0.700 local terms energy: -652.839766 where: bonds (distance) C4'-P energy: -158.096 bonds (distance) P-C4' energy: -166.124 flat angles C4'-P-C4' energy: -169.525 flat angles P-C4'-P energy: -88.636 tors. eta vs tors. theta energy: -70.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1297.146608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.146608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.146608 (E_RNA) where: Base-Base interactions energy: -661.489 where: short stacking energy: -410.933 Base-Backbone interact. energy: 1.005 local terms energy: -636.662014 where: bonds (distance) C4'-P energy: -165.600 bonds (distance) P-C4' energy: -171.196 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -84.269 tors. eta vs tors. theta energy: -50.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1073.282218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.282218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.282218 (E_RNA) where: Base-Base interactions energy: -495.949 where: short stacking energy: -350.212 Base-Backbone interact. energy: 1.093 local terms energy: -578.426241 where: bonds (distance) C4'-P energy: -163.617 bonds (distance) P-C4' energy: -163.068 flat angles C4'-P-C4' energy: -155.045 flat angles P-C4'-P energy: -83.055 tors. eta vs tors. theta energy: -13.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -893.661658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.661658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.661658 (E_RNA) where: Base-Base interactions energy: -376.353 where: short stacking energy: -303.108 Base-Backbone interact. energy: -3.130 local terms energy: -514.178533 where: bonds (distance) C4'-P energy: -141.980 bonds (distance) P-C4' energy: -159.456 flat angles C4'-P-C4' energy: -150.257 flat angles P-C4'-P energy: -62.839 tors. eta vs tors. theta energy: 0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -902.499556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.499556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.499556 (E_RNA) where: Base-Base interactions energy: -422.375 where: short stacking energy: -277.615 Base-Backbone interact. energy: -0.379 local terms energy: -479.745854 where: bonds (distance) C4'-P energy: -131.694 bonds (distance) P-C4' energy: -140.749 flat angles C4'-P-C4' energy: -144.753 flat angles P-C4'-P energy: -63.441 tors. eta vs tors. theta energy: 0.891 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: 16 Temperature: 1.350000 Total energy: -779.968337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.968337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.968337 (E_RNA) where: Base-Base interactions energy: -336.024 where: short stacking energy: -217.346 Base-Backbone interact. energy: -5.284 local terms energy: -438.659803 where: bonds (distance) C4'-P energy: -134.202 bonds (distance) P-C4' energy: -148.536 flat angles C4'-P-C4' energy: -127.851 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: 40.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2157.254455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.254455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.254455 (E_RNA) where: Base-Base interactions energy: -1264.873 where: short stacking energy: -741.318 Base-Backbone interact. energy: 2.030 local terms energy: -894.412061 where: bonds (distance) C4'-P energy: -180.622 bonds (distance) P-C4' energy: -195.554 flat angles C4'-P-C4' energy: -200.841 flat angles P-C4'-P energy: -125.700 tors. eta vs tors. theta energy: -191.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2012.475257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.475257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.475257 (E_RNA) where: Base-Base interactions energy: -1174.598 where: short stacking energy: -679.303 Base-Backbone interact. energy: -2.492 local terms energy: -835.384763 where: bonds (distance) C4'-P energy: -180.991 bonds (distance) P-C4' energy: -194.255 flat angles C4'-P-C4' energy: -170.060 flat angles P-C4'-P energy: -134.103 tors. eta vs tors. theta energy: -155.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1764.435012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.435012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.435012 (E_RNA) where: Base-Base interactions energy: -975.966 where: short stacking energy: -617.825 Base-Backbone interact. energy: 0.545 local terms energy: -789.014371 where: bonds (distance) C4'-P energy: -166.942 bonds (distance) P-C4' energy: -179.835 flat angles C4'-P-C4' energy: -179.616 flat angles P-C4'-P energy: -119.076 tors. eta vs tors. theta energy: -143.545 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: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1528.012738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.012738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.012738 (E_RNA) where: Base-Base interactions energy: -814.184 where: short stacking energy: -505.122 Base-Backbone interact. energy: 3.440 local terms energy: -717.269045 where: bonds (distance) C4'-P energy: -169.462 bonds (distance) P-C4' energy: -184.663 flat angles C4'-P-C4' energy: -182.201 flat angles P-C4'-P energy: -97.581 tors. eta vs tors. theta energy: -83.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1404.146913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.146913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.146913 (E_RNA) where: Base-Base interactions energy: -747.298 where: short stacking energy: -468.175 Base-Backbone interact. energy: 3.632 local terms energy: -660.480525 where: bonds (distance) C4'-P energy: -162.335 bonds (distance) P-C4' energy: -177.313 flat angles C4'-P-C4' energy: -158.210 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -75.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1259.515583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.515583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.515583 (E_RNA) where: Base-Base interactions energy: -635.084 where: short stacking energy: -413.338 Base-Backbone interact. energy: -2.044 local terms energy: -622.387634 where: bonds (distance) C4'-P energy: -170.171 bonds (distance) P-C4' energy: -164.174 flat angles C4'-P-C4' energy: -150.877 flat angles P-C4'-P energy: -91.952 tors. eta vs tors. theta energy: -45.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1066.484547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.484547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.484547 (E_RNA) where: Base-Base interactions energy: -501.621 where: short stacking energy: -350.310 Base-Backbone interact. energy: 0.620 local terms energy: -565.483588 where: bonds (distance) C4'-P energy: -147.227 bonds (distance) P-C4' energy: -160.243 flat angles C4'-P-C4' energy: -151.549 flat angles P-C4'-P energy: -75.901 tors. eta vs tors. theta energy: -30.564 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: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -943.292546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.292546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.292546 (E_RNA) where: Base-Base interactions energy: -403.735 where: short stacking energy: -328.968 Base-Backbone interact. energy: -1.104 local terms energy: -538.453895 where: bonds (distance) C4'-P energy: -139.950 bonds (distance) P-C4' energy: -171.423 flat angles C4'-P-C4' energy: -137.379 flat angles P-C4'-P energy: -83.162 tors. eta vs tors. theta energy: -6.540 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: 17 Temperature: 1.300000 Total energy: -802.645424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.645424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.645424 (E_RNA) where: Base-Base interactions energy: -357.520 where: short stacking energy: -279.102 Base-Backbone interact. energy: 3.210 local terms energy: -448.334929 where: bonds (distance) C4'-P energy: -149.257 bonds (distance) P-C4' energy: -130.832 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -83.111 tors. eta vs tors. theta energy: 26.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -731.538344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.538344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.538344 (E_RNA) where: Base-Base interactions energy: -264.341 where: short stacking energy: -211.881 Base-Backbone interact. energy: 3.725 local terms energy: -470.922349 where: bonds (distance) C4'-P energy: -131.766 bonds (distance) P-C4' energy: -153.259 flat angles C4'-P-C4' energy: -112.395 flat angles P-C4'-P energy: -94.354 tors. eta vs tors. theta energy: 20.851 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: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2192.954350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.954350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.954350 (E_RNA) where: Base-Base interactions energy: -1297.975 where: short stacking energy: -747.910 Base-Backbone interact. energy: 0.038 local terms energy: -895.017189 where: bonds (distance) C4'-P energy: -186.361 bonds (distance) P-C4' energy: -200.021 flat angles C4'-P-C4' energy: -190.473 flat angles P-C4'-P energy: -132.362 tors. eta vs tors. theta energy: -185.801 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: 18 Temperature: 0.950000 Total energy: -1993.236331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.236331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.236331 (E_RNA) where: Base-Base interactions energy: -1204.355 where: short stacking energy: -674.898 Base-Backbone interact. energy: -2.068 local terms energy: -786.813747 where: bonds (distance) C4'-P energy: -161.902 bonds (distance) P-C4' energy: -183.243 flat angles C4'-P-C4' energy: -197.228 flat angles P-C4'-P energy: -91.840 tors. eta vs tors. theta energy: -152.601 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: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1778.643088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.643088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.643088 (E_RNA) where: Base-Base interactions energy: -971.350 where: short stacking energy: -630.618 Base-Backbone interact. energy: -3.395 local terms energy: -803.898106 where: bonds (distance) C4'-P energy: -167.776 bonds (distance) P-C4' energy: -184.980 flat angles C4'-P-C4' energy: -198.071 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -146.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1628.132336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.132336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.132336 (E_RNA) where: Base-Base interactions energy: -900.602 where: short stacking energy: -559.446 Base-Backbone interact. energy: 1.530 local terms energy: -729.060222 where: bonds (distance) C4'-P energy: -166.987 bonds (distance) P-C4' energy: -177.334 flat angles C4'-P-C4' energy: -175.250 flat angles P-C4'-P energy: -110.883 tors. eta vs tors. theta energy: -98.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1438.122023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.122023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.122023 (E_RNA) where: Base-Base interactions energy: -753.697 where: short stacking energy: -482.793 Base-Backbone interact. energy: -2.302 local terms energy: -682.123165 where: bonds (distance) C4'-P energy: -153.798 bonds (distance) P-C4' energy: -168.534 flat angles C4'-P-C4' energy: -181.025 flat angles P-C4'-P energy: -96.599 tors. eta vs tors. theta energy: -82.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1206.987578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.987578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.987578 (E_RNA) where: Base-Base interactions energy: -603.146 where: short stacking energy: -415.173 Base-Backbone interact. energy: 0.959 local terms energy: -604.800565 where: bonds (distance) C4'-P energy: -176.083 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -149.374 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: -39.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1047.850473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.850473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.850473 (E_RNA) where: Base-Base interactions energy: -462.815 where: short stacking energy: -346.793 Base-Backbone interact. energy: 3.005 local terms energy: -588.041062 where: bonds (distance) C4'-P energy: -142.287 bonds (distance) P-C4' energy: -166.131 flat angles C4'-P-C4' energy: -141.002 flat angles P-C4'-P energy: -110.452 tors. eta vs tors. theta energy: -28.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -954.160768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.160768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.160768 (E_RNA) where: Base-Base interactions energy: -442.973 where: short stacking energy: -285.702 Base-Backbone interact. energy: 1.297 local terms energy: -512.485070 where: bonds (distance) C4'-P energy: -140.862 bonds (distance) P-C4' energy: -143.651 flat angles C4'-P-C4' energy: -149.461 flat angles P-C4'-P energy: -83.552 tors. eta vs tors. theta energy: 5.041 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: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -818.007767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.007767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.007767 (E_RNA) where: Base-Base interactions energy: -327.719 where: short stacking energy: -206.309 Base-Backbone interact. energy: 3.450 local terms energy: -493.739548 where: bonds (distance) C4'-P energy: -136.173 bonds (distance) P-C4' energy: -145.265 flat angles C4'-P-C4' energy: -153.195 flat angles P-C4'-P energy: -72.862 tors. eta vs tors. theta energy: 13.756 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: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -687.865944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.865944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.865944 (E_RNA) where: Base-Base interactions energy: -219.657 where: short stacking energy: -178.912 Base-Backbone interact. energy: -0.315 local terms energy: -467.894377 where: bonds (distance) C4'-P energy: -153.050 bonds (distance) P-C4' energy: -168.860 flat angles C4'-P-C4' energy: -111.828 flat angles P-C4'-P energy: -77.368 tors. eta vs tors. theta energy: 43.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2228.937052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.937052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.937052 (E_RNA) where: Base-Base interactions energy: -1379.030 where: short stacking energy: -771.331 Base-Backbone interact. energy: -4.190 local terms energy: -845.716803 where: bonds (distance) C4'-P energy: -185.605 bonds (distance) P-C4' energy: -184.471 flat angles C4'-P-C4' energy: -179.952 flat angles P-C4'-P energy: -115.100 tors. eta vs tors. theta energy: -180.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2111.127595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.127595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.127595 (E_RNA) where: Base-Base interactions energy: -1252.560 where: short stacking energy: -697.455 Base-Backbone interact. energy: -2.433 local terms energy: -856.133880 where: bonds (distance) C4'-P energy: -177.803 bonds (distance) P-C4' energy: -188.777 flat angles C4'-P-C4' energy: -185.582 flat angles P-C4'-P energy: -124.909 tors. eta vs tors. theta energy: -179.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1721.813822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.813822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.813822 (E_RNA) where: Base-Base interactions energy: -941.292 where: short stacking energy: -592.211 Base-Backbone interact. energy: -0.107 local terms energy: -780.414938 where: bonds (distance) C4'-P energy: -163.278 bonds (distance) P-C4' energy: -193.209 flat angles C4'-P-C4' energy: -181.139 flat angles P-C4'-P energy: -101.596 tors. eta vs tors. theta energy: -141.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1608.918713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.918713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.918713 (E_RNA) where: Base-Base interactions energy: -853.707 where: short stacking energy: -483.048 Base-Backbone interact. energy: -0.714 local terms energy: -754.497699 where: bonds (distance) C4'-P energy: -150.925 bonds (distance) P-C4' energy: -198.716 flat angles C4'-P-C4' energy: -176.413 flat angles P-C4'-P energy: -136.600 tors. eta vs tors. theta energy: -91.844 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: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1391.341918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.341918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.341918 (E_RNA) where: Base-Base interactions energy: -704.881 where: short stacking energy: -468.718 Base-Backbone interact. energy: -4.368 local terms energy: -682.093051 where: bonds (distance) C4'-P energy: -153.065 bonds (distance) P-C4' energy: -182.396 flat angles C4'-P-C4' energy: -166.762 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -79.537 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: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1317.426157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.426157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.426157 (E_RNA) where: Base-Base interactions energy: -673.207 where: short stacking energy: -428.632 Base-Backbone interact. energy: 5.807 local terms energy: -650.026034 where: bonds (distance) C4'-P energy: -159.879 bonds (distance) P-C4' energy: -175.417 flat angles C4'-P-C4' energy: -158.316 flat angles P-C4'-P energy: -96.279 tors. eta vs tors. theta energy: -60.135 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: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1112.498141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.498141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.498141 (E_RNA) where: Base-Base interactions energy: -544.261 where: short stacking energy: -344.757 Base-Backbone interact. energy: 8.130 local terms energy: -576.367179 where: bonds (distance) C4'-P energy: -161.354 bonds (distance) P-C4' energy: -168.007 flat angles C4'-P-C4' energy: -139.918 flat angles P-C4'-P energy: -78.960 tors. eta vs tors. theta energy: -28.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1020.468123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.468123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.468123 (E_RNA) where: Base-Base interactions energy: -455.529 where: short stacking energy: -292.830 Base-Backbone interact. energy: -3.032 local terms energy: -561.906980 where: bonds (distance) C4'-P energy: -149.530 bonds (distance) P-C4' energy: -172.075 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -95.298 tors. eta vs tors. theta energy: 2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -826.750381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.750381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.750381 (E_RNA) where: Base-Base interactions energy: -336.049 where: short stacking energy: -227.669 Base-Backbone interact. energy: 4.676 local terms energy: -495.377790 where: bonds (distance) C4'-P energy: -155.101 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -148.091 flat angles P-C4'-P energy: -81.503 tors. eta vs tors. theta energy: 25.864 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: 19 Temperature: 1.350000 Total energy: -734.124444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.124444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.124444 (E_RNA) where: Base-Base interactions energy: -269.775 where: short stacking energy: -210.951 Base-Backbone interact. energy: 4.435 local terms energy: -468.784338 where: bonds (distance) C4'-P energy: -137.113 bonds (distance) P-C4' energy: -160.128 flat angles C4'-P-C4' energy: -133.023 flat angles P-C4'-P energy: -72.540 tors. eta vs tors. theta energy: 34.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2195.168963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.168963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.168963 (E_RNA) where: Base-Base interactions energy: -1340.096 where: short stacking energy: -751.969 Base-Backbone interact. energy: -3.509 local terms energy: -851.564233 where: bonds (distance) C4'-P energy: -170.112 bonds (distance) P-C4' energy: -177.776 flat angles C4'-P-C4' energy: -199.123 flat angles P-C4'-P energy: -126.301 tors. eta vs tors. theta energy: -178.252 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: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2165.091339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.091339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.091339 (E_RNA) where: Base-Base interactions energy: -1334.754 where: short stacking energy: -766.148 Base-Backbone interact. energy: -2.100 local terms energy: -828.237340 where: bonds (distance) C4'-P energy: -149.291 bonds (distance) P-C4' energy: -173.566 flat angles C4'-P-C4' energy: -200.611 flat angles P-C4'-P energy: -117.768 tors. eta vs tors. theta energy: -187.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1739.347571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.347571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.347571 (E_RNA) where: Base-Base interactions energy: -971.586 where: short stacking energy: -610.136 Base-Backbone interact. energy: -1.716 local terms energy: -766.045682 where: bonds (distance) C4'-P energy: -165.500 bonds (distance) P-C4' energy: -185.034 flat angles C4'-P-C4' energy: -181.765 flat angles P-C4'-P energy: -110.509 tors. eta vs tors. theta energy: -123.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1676.764188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.764188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.764188 (E_RNA) where: Base-Base interactions energy: -962.440 where: short stacking energy: -511.176 Base-Backbone interact. energy: -2.360 local terms energy: -711.963943 where: bonds (distance) C4'-P energy: -159.830 bonds (distance) P-C4' energy: -175.797 flat angles C4'-P-C4' energy: -183.506 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -99.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1478.662789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.662789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.662789 (E_RNA) where: Base-Base interactions energy: -767.322 where: short stacking energy: -486.468 Base-Backbone interact. energy: -4.128 local terms energy: -707.212456 where: bonds (distance) C4'-P energy: -151.562 bonds (distance) P-C4' energy: -167.221 flat angles C4'-P-C4' energy: -167.266 flat angles P-C4'-P energy: -125.170 tors. eta vs tors. theta energy: -95.993 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: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1314.864050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.864050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.864050 (E_RNA) where: Base-Base interactions energy: -651.481 where: short stacking energy: -407.222 Base-Backbone interact. energy: -1.913 local terms energy: -661.470191 where: bonds (distance) C4'-P energy: -163.227 bonds (distance) P-C4' energy: -175.859 flat angles C4'-P-C4' energy: -168.406 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -65.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1126.946628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.946628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.946628 (E_RNA) where: Base-Base interactions energy: -567.196 where: short stacking energy: -365.209 Base-Backbone interact. energy: 1.181 local terms energy: -560.931822 where: bonds (distance) C4'-P energy: -151.708 bonds (distance) P-C4' energy: -166.201 flat angles C4'-P-C4' energy: -144.048 flat angles P-C4'-P energy: -78.499 tors. eta vs tors. theta energy: -20.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -977.874326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.874326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.874326 (E_RNA) where: Base-Base interactions energy: -475.015 where: short stacking energy: -311.285 Base-Backbone interact. energy: 2.651 local terms energy: -505.510860 where: bonds (distance) C4'-P energy: -156.854 bonds (distance) P-C4' energy: -149.503 flat angles C4'-P-C4' energy: -131.710 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: 2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -772.811602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.811602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.811602 (E_RNA) where: Base-Base interactions energy: -324.159 where: short stacking energy: -234.315 Base-Backbone interact. energy: 1.413 local terms energy: -450.065608 where: bonds (distance) C4'-P energy: -132.152 bonds (distance) P-C4' energy: -162.693 flat angles C4'-P-C4' energy: -112.780 flat angles P-C4'-P energy: -75.365 tors. eta vs tors. theta energy: 32.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -702.857163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.857163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.857163 (E_RNA) where: Base-Base interactions energy: -252.727 where: short stacking energy: -223.671 Base-Backbone interact. energy: 3.327 local terms energy: -453.456410 where: bonds (distance) C4'-P energy: -147.491 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -120.427 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: 25.421 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: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2212.021426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.021426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.021426 (E_RNA) where: Base-Base interactions energy: -1309.333 where: short stacking energy: -744.590 Base-Backbone interact. energy: 0.161 local terms energy: -902.850159 where: bonds (distance) C4'-P energy: -185.143 bonds (distance) P-C4' energy: -193.649 flat angles C4'-P-C4' energy: -201.641 flat angles P-C4'-P energy: -124.845 tors. eta vs tors. theta energy: -197.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2107.084867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.084867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.084867 (E_RNA) where: Base-Base interactions energy: -1242.339 where: short stacking energy: -647.915 Base-Backbone interact. energy: -4.555 local terms energy: -860.191634 where: bonds (distance) C4'-P energy: -164.401 bonds (distance) P-C4' energy: -206.777 flat angles C4'-P-C4' energy: -201.565 flat angles P-C4'-P energy: -129.933 tors. eta vs tors. theta energy: -157.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1805.777076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.777076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.777076 (E_RNA) where: Base-Base interactions energy: -1020.352 where: short stacking energy: -601.838 Base-Backbone interact. energy: 0.324 local terms energy: -785.749850 where: bonds (distance) C4'-P energy: -177.605 bonds (distance) P-C4' energy: -162.368 flat angles C4'-P-C4' energy: -176.113 flat angles P-C4'-P energy: -121.994 tors. eta vs tors. theta energy: -147.670 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: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1751.666797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.666797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.666797 (E_RNA) where: Base-Base interactions energy: -1048.115 where: short stacking energy: -555.473 Base-Backbone interact. energy: 5.824 local terms energy: -709.375426 where: bonds (distance) C4'-P energy: -157.572 bonds (distance) P-C4' energy: -175.889 flat angles C4'-P-C4' energy: -170.842 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -112.737 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: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1499.296180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.296180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.296180 (E_RNA) where: Base-Base interactions energy: -801.210 where: short stacking energy: -513.703 Base-Backbone interact. energy: 0.785 local terms energy: -698.870740 where: bonds (distance) C4'-P energy: -143.502 bonds (distance) P-C4' energy: -189.032 flat angles C4'-P-C4' energy: -161.813 flat angles P-C4'-P energy: -109.252 tors. eta vs tors. theta energy: -95.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1312.112743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.112743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.112743 (E_RNA) where: Base-Base interactions energy: -708.347 where: short stacking energy: -422.628 Base-Backbone interact. energy: -2.475 local terms energy: -601.290727 where: bonds (distance) C4'-P energy: -141.103 bonds (distance) P-C4' energy: -146.756 flat angles C4'-P-C4' energy: -176.497 flat angles P-C4'-P energy: -89.300 tors. eta vs tors. theta energy: -47.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1235.301816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.301816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.301816 (E_RNA) where: Base-Base interactions energy: -676.758 where: short stacking energy: -374.981 Base-Backbone interact. energy: 1.891 local terms energy: -560.435529 where: bonds (distance) C4'-P energy: -156.177 bonds (distance) P-C4' energy: -131.100 flat angles C4'-P-C4' energy: -152.723 flat angles P-C4'-P energy: -98.240 tors. eta vs tors. theta energy: -22.195 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: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1052.700606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.700606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.700606 (E_RNA) where: Base-Base interactions energy: -477.229 where: short stacking energy: -337.289 Base-Backbone interact. energy: -1.095 local terms energy: -574.376647 where: bonds (distance) C4'-P energy: -152.425 bonds (distance) P-C4' energy: -164.642 flat angles C4'-P-C4' energy: -153.906 flat angles P-C4'-P energy: -91.838 tors. eta vs tors. theta energy: -11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -840.165676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.165676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.165676 (E_RNA) where: Base-Base interactions energy: -403.487 where: short stacking energy: -316.102 Base-Backbone interact. energy: -2.327 local terms energy: -434.351732 where: bonds (distance) C4'-P energy: -120.980 bonds (distance) P-C4' energy: -162.014 flat angles C4'-P-C4' energy: -105.022 flat angles P-C4'-P energy: -58.478 tors. eta vs tors. theta energy: 12.141 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: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -717.629525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.629525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.629525 (E_RNA) where: Base-Base interactions energy: -274.628 where: short stacking energy: -230.047 Base-Backbone interact. energy: 8.481 local terms energy: -451.481938 where: bonds (distance) C4'-P energy: -131.696 bonds (distance) P-C4' energy: -152.264 flat angles C4'-P-C4' energy: -122.431 flat angles P-C4'-P energy: -66.110 tors. eta vs tors. theta energy: 21.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2273.846960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.846960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.846960 (E_RNA) where: Base-Base interactions energy: -1404.311 where: short stacking energy: -774.283 Base-Backbone interact. energy: -0.806 local terms energy: -868.729963 where: bonds (distance) C4'-P energy: -188.530 bonds (distance) P-C4' energy: -190.030 flat angles C4'-P-C4' energy: -191.892 flat angles P-C4'-P energy: -124.115 tors. eta vs tors. theta energy: -174.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2062.937766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.937766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.937766 (E_RNA) where: Base-Base interactions energy: -1268.249 where: short stacking energy: -705.317 Base-Backbone interact. energy: 1.905 local terms energy: -796.593794 where: bonds (distance) C4'-P energy: -169.678 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -170.577 flat angles P-C4'-P energy: -131.101 tors. eta vs tors. theta energy: -150.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1905.541378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.541378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.541378 (E_RNA) where: Base-Base interactions energy: -1121.584 where: short stacking energy: -622.206 Base-Backbone interact. energy: -1.824 local terms energy: -782.133496 where: bonds (distance) C4'-P energy: -189.463 bonds (distance) P-C4' energy: -182.443 flat angles C4'-P-C4' energy: -167.553 flat angles P-C4'-P energy: -114.200 tors. eta vs tors. theta energy: -128.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1692.205437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.205437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.205437 (E_RNA) where: Base-Base interactions energy: -939.331 where: short stacking energy: -594.681 Base-Backbone interact. energy: 4.826 local terms energy: -757.700285 where: bonds (distance) C4'-P energy: -153.836 bonds (distance) P-C4' energy: -162.741 flat angles C4'-P-C4' energy: -181.376 flat angles P-C4'-P energy: -113.775 tors. eta vs tors. theta energy: -145.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1487.144893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.144893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.144893 (E_RNA) where: Base-Base interactions energy: -805.894 where: short stacking energy: -485.490 Base-Backbone interact. energy: 0.335 local terms energy: -681.586066 where: bonds (distance) C4'-P energy: -155.481 bonds (distance) P-C4' energy: -156.847 flat angles C4'-P-C4' energy: -179.441 flat angles P-C4'-P energy: -103.279 tors. eta vs tors. theta energy: -86.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1310.421413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.421413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.421413 (E_RNA) where: Base-Base interactions energy: -680.659 where: short stacking energy: -449.057 Base-Backbone interact. energy: -1.553 local terms energy: -628.209007 where: bonds (distance) C4'-P energy: -138.721 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -175.727 flat angles P-C4'-P energy: -100.816 tors. eta vs tors. theta energy: -57.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1283.360524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.360524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.360524 (E_RNA) where: Base-Base interactions energy: -690.681 where: short stacking energy: -404.472 Base-Backbone interact. energy: -0.234 local terms energy: -592.445162 where: bonds (distance) C4'-P energy: -170.175 bonds (distance) P-C4' energy: -143.068 flat angles C4'-P-C4' energy: -127.917 flat angles P-C4'-P energy: -96.883 tors. eta vs tors. theta energy: -54.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1079.793907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.793907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.793907 (E_RNA) where: Base-Base interactions energy: -545.444 where: short stacking energy: -344.311 Base-Backbone interact. energy: -0.905 local terms energy: -533.444377 where: bonds (distance) C4'-P energy: -176.762 bonds (distance) P-C4' energy: -155.906 flat angles C4'-P-C4' energy: -124.768 flat angles P-C4'-P energy: -76.211 tors. eta vs tors. theta energy: 0.203 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: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -802.680014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.680014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.680014 (E_RNA) where: Base-Base interactions energy: -328.951 where: short stacking energy: -248.653 Base-Backbone interact. energy: -0.249 local terms energy: -473.479959 where: bonds (distance) C4'-P energy: -153.435 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -130.269 flat angles P-C4'-P energy: -81.125 tors. eta vs tors. theta energy: 36.649 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: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -735.244224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.244224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.244224 (E_RNA) where: Base-Base interactions energy: -275.510 where: short stacking energy: -209.275 Base-Backbone interact. energy: -1.735 local terms energy: -457.999491 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -148.941 flat angles C4'-P-C4' energy: -131.701 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: 38.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2308.643481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.643481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.643481 (E_RNA) where: Base-Base interactions energy: -1414.765 where: short stacking energy: -749.696 Base-Backbone interact. energy: -3.036 local terms energy: -890.843101 where: bonds (distance) C4'-P energy: -191.350 bonds (distance) P-C4' energy: -182.789 flat angles C4'-P-C4' energy: -198.019 flat angles P-C4'-P energy: -132.494 tors. eta vs tors. theta energy: -186.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2101.250958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.250958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.250958 (E_RNA) where: Base-Base interactions energy: -1274.631 where: short stacking energy: -674.142 Base-Backbone interact. energy: -3.732 local terms energy: -822.888362 where: bonds (distance) C4'-P energy: -168.852 bonds (distance) P-C4' energy: -172.890 flat angles C4'-P-C4' energy: -200.061 flat angles P-C4'-P energy: -113.330 tors. eta vs tors. theta energy: -167.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1950.900238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.900238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.900238 (E_RNA) where: Base-Base interactions energy: -1173.171 where: short stacking energy: -612.750 Base-Backbone interact. energy: -5.569 local terms energy: -772.160604 where: bonds (distance) C4'-P energy: -170.781 bonds (distance) P-C4' energy: -173.735 flat angles C4'-P-C4' energy: -190.517 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -134.082 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: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1724.909908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.909908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.909908 (E_RNA) where: Base-Base interactions energy: -993.503 where: short stacking energy: -626.271 Base-Backbone interact. energy: -0.586 local terms energy: -730.820406 where: bonds (distance) C4'-P energy: -158.420 bonds (distance) P-C4' energy: -162.659 flat angles C4'-P-C4' energy: -168.776 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -146.901 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: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1536.379000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.379000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.379000 (E_RNA) where: Base-Base interactions energy: -855.152 where: short stacking energy: -485.701 Base-Backbone interact. energy: -2.748 local terms energy: -678.479104 where: bonds (distance) C4'-P energy: -158.907 bonds (distance) P-C4' energy: -175.985 flat angles C4'-P-C4' energy: -160.871 flat angles P-C4'-P energy: -95.293 tors. eta vs tors. theta energy: -87.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1416.782504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.782504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.782504 (E_RNA) where: Base-Base interactions energy: -777.394 where: short stacking energy: -449.492 Base-Backbone interact. energy: 7.351 local terms energy: -646.738952 where: bonds (distance) C4'-P energy: -155.826 bonds (distance) P-C4' energy: -180.678 flat angles C4'-P-C4' energy: -161.518 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: -70.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1310.616394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.616394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.616394 (E_RNA) where: Base-Base interactions energy: -689.634 where: short stacking energy: -369.881 Base-Backbone interact. energy: 0.031 local terms energy: -621.013958 where: bonds (distance) C4'-P energy: -182.738 bonds (distance) P-C4' energy: -162.611 flat angles C4'-P-C4' energy: -152.761 flat angles P-C4'-P energy: -96.273 tors. eta vs tors. theta energy: -26.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1092.813961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.813961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.813961 (E_RNA) where: Base-Base interactions energy: -565.676 where: short stacking energy: -320.362 Base-Backbone interact. energy: 6.792 local terms energy: -533.930824 where: bonds (distance) C4'-P energy: -152.343 bonds (distance) P-C4' energy: -163.408 flat angles C4'-P-C4' energy: -138.816 flat angles P-C4'-P energy: -66.841 tors. eta vs tors. theta energy: -12.523 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -884.579842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.579842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.579842 (E_RNA) where: Base-Base interactions energy: -435.613 where: short stacking energy: -277.085 Base-Backbone interact. energy: 4.047 local terms energy: -453.013851 where: bonds (distance) C4'-P energy: -143.892 bonds (distance) P-C4' energy: -146.143 flat angles C4'-P-C4' energy: -125.142 flat angles P-C4'-P energy: -59.494 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: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -702.798027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.798027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.798027 (E_RNA) where: Base-Base interactions energy: -239.307 where: short stacking energy: -211.286 Base-Backbone interact. energy: 2.732 local terms energy: -466.223351 where: bonds (distance) C4'-P energy: -146.084 bonds (distance) P-C4' energy: -162.343 flat angles C4'-P-C4' energy: -135.288 flat angles P-C4'-P energy: -62.459 tors. eta vs tors. theta energy: 39.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2319.975851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.975851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.975851 (E_RNA) where: Base-Base interactions energy: -1439.457 where: short stacking energy: -729.239 Base-Backbone interact. energy: -0.122 local terms energy: -880.397000 where: bonds (distance) C4'-P energy: -204.405 bonds (distance) P-C4' energy: -184.410 flat angles C4'-P-C4' energy: -195.080 flat angles P-C4'-P energy: -117.131 tors. eta vs tors. theta energy: -179.371 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: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2106.358818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.358818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.358818 (E_RNA) where: Base-Base interactions energy: -1264.873 where: short stacking energy: -721.908 Base-Backbone interact. energy: -6.480 local terms energy: -835.006502 where: bonds (distance) C4'-P energy: -172.716 bonds (distance) P-C4' energy: -168.764 flat angles C4'-P-C4' energy: -200.029 flat angles P-C4'-P energy: -111.871 tors. eta vs tors. theta energy: -181.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2033.833641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.833641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.833641 (E_RNA) where: Base-Base interactions energy: -1217.204 where: short stacking energy: -643.374 Base-Backbone interact. energy: -0.685 local terms energy: -815.944422 where: bonds (distance) C4'-P energy: -185.834 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -184.156 flat angles P-C4'-P energy: -121.442 tors. eta vs tors. theta energy: -168.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1707.209448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.209448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.209448 (E_RNA) where: Base-Base interactions energy: -963.878 where: short stacking energy: -573.189 Base-Backbone interact. energy: 2.581 local terms energy: -745.913051 where: bonds (distance) C4'-P energy: -179.532 bonds (distance) P-C4' energy: -176.240 flat angles C4'-P-C4' energy: -178.603 flat angles P-C4'-P energy: -102.281 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: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1697.449139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.449139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.449139 (E_RNA) where: Base-Base interactions energy: -1009.226 where: short stacking energy: -543.982 Base-Backbone interact. energy: -3.734 local terms energy: -684.488759 where: bonds (distance) C4'-P energy: -165.804 bonds (distance) P-C4' energy: -158.890 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -94.246 tors. eta vs tors. theta energy: -109.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1388.190677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.190677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.190677 (E_RNA) where: Base-Base interactions energy: -745.744 where: short stacking energy: -428.873 Base-Backbone interact. energy: -0.795 local terms energy: -641.651590 where: bonds (distance) C4'-P energy: -160.685 bonds (distance) P-C4' energy: -160.888 flat angles C4'-P-C4' energy: -158.314 flat angles P-C4'-P energy: -99.007 tors. eta vs tors. theta energy: -62.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1283.392718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.392718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.392718 (E_RNA) where: Base-Base interactions energy: -737.865 where: short stacking energy: -389.104 Base-Backbone interact. energy: 4.042 local terms energy: -549.569249 where: bonds (distance) C4'-P energy: -147.221 bonds (distance) P-C4' energy: -168.208 flat angles C4'-P-C4' energy: -130.861 flat angles P-C4'-P energy: -89.078 tors. eta vs tors. theta energy: -14.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1122.813107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.813107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.813107 (E_RNA) where: Base-Base interactions energy: -588.864 where: short stacking energy: -328.065 Base-Backbone interact. energy: -1.318 local terms energy: -532.630954 where: bonds (distance) C4'-P energy: -160.829 bonds (distance) P-C4' energy: -141.970 flat angles C4'-P-C4' energy: -144.352 flat angles P-C4'-P energy: -73.999 tors. eta vs tors. theta energy: -11.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -899.188365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.188365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.188365 (E_RNA) where: Base-Base interactions energy: -415.388 where: short stacking energy: -271.485 Base-Backbone interact. energy: 2.269 local terms energy: -486.069718 where: bonds (distance) C4'-P energy: -146.437 bonds (distance) P-C4' energy: -150.629 flat angles C4'-P-C4' energy: -112.329 flat angles P-C4'-P energy: -74.676 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -726.341422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.341422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.341422 (E_RNA) where: Base-Base interactions energy: -269.105 where: short stacking energy: -221.386 Base-Backbone interact. energy: -2.772 local terms energy: -454.463672 where: bonds (distance) C4'-P energy: -138.341 bonds (distance) P-C4' energy: -161.667 flat angles C4'-P-C4' energy: -102.887 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: 22.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2353.551553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.551553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.551553 (E_RNA) where: Base-Base interactions energy: -1484.558 where: short stacking energy: -802.793 Base-Backbone interact. energy: 1.017 local terms energy: -870.011309 where: bonds (distance) C4'-P energy: -188.119 bonds (distance) P-C4' energy: -153.660 flat angles C4'-P-C4' energy: -193.815 flat angles P-C4'-P energy: -130.014 tors. eta vs tors. theta energy: -204.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2174.468012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.468012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.468012 (E_RNA) where: Base-Base interactions energy: -1321.153 where: short stacking energy: -695.311 Base-Backbone interact. energy: 0.747 local terms energy: -854.061826 where: bonds (distance) C4'-P energy: -190.567 bonds (distance) P-C4' energy: -185.303 flat angles C4'-P-C4' energy: -181.429 flat angles P-C4'-P energy: -130.501 tors. eta vs tors. theta energy: -166.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2011.435777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.435777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.435777 (E_RNA) where: Base-Base interactions energy: -1205.466 where: short stacking energy: -668.916 Base-Backbone interact. energy: -2.866 local terms energy: -803.103710 where: bonds (distance) C4'-P energy: -167.908 bonds (distance) P-C4' energy: -177.598 flat angles C4'-P-C4' energy: -181.580 flat angles P-C4'-P energy: -116.970 tors. eta vs tors. theta energy: -159.047 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: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1828.408367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.408367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.408367 (E_RNA) where: Base-Base interactions energy: -1081.260 where: short stacking energy: -602.237 Base-Backbone interact. energy: 0.592 local terms energy: -747.740084 where: bonds (distance) C4'-P energy: -161.832 bonds (distance) P-C4' energy: -183.564 flat angles C4'-P-C4' energy: -184.787 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -120.811 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: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1624.003436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.003436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.003436 (E_RNA) where: Base-Base interactions energy: -922.046 where: short stacking energy: -517.257 Base-Backbone interact. energy: -0.226 local terms energy: -701.731660 where: bonds (distance) C4'-P energy: -140.332 bonds (distance) P-C4' energy: -188.624 flat angles C4'-P-C4' energy: -153.709 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -110.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1429.132819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.132819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.132819 (E_RNA) where: Base-Base interactions energy: -777.172 where: short stacking energy: -457.115 Base-Backbone interact. energy: 4.599 local terms energy: -656.559534 where: bonds (distance) C4'-P energy: -164.855 bonds (distance) P-C4' energy: -172.295 flat angles C4'-P-C4' energy: -162.221 flat angles P-C4'-P energy: -89.449 tors. eta vs tors. theta energy: -67.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1285.097860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.097860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.097860 (E_RNA) where: Base-Base interactions energy: -690.153 where: short stacking energy: -417.966 Base-Backbone interact. energy: 1.373 local terms energy: -596.317440 where: bonds (distance) C4'-P energy: -157.914 bonds (distance) P-C4' energy: -145.799 flat angles C4'-P-C4' energy: -155.453 flat angles P-C4'-P energy: -85.694 tors. eta vs tors. theta energy: -51.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1114.141833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.141833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.141833 (E_RNA) where: Base-Base interactions energy: -561.954 where: short stacking energy: -301.805 Base-Backbone interact. energy: 0.369 local terms energy: -552.557168 where: bonds (distance) C4'-P energy: -152.993 bonds (distance) P-C4' energy: -151.857 flat angles C4'-P-C4' energy: -155.783 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -15.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1041.965650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.965650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.965650 (E_RNA) where: Base-Base interactions energy: -518.731 where: short stacking energy: -305.022 Base-Backbone interact. energy: -2.421 local terms energy: -520.814424 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -154.163 flat angles C4'-P-C4' energy: -120.329 flat angles P-C4'-P energy: -94.026 tors. eta vs tors. theta energy: -10.269 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: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -707.308194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.308194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.308194 (E_RNA) where: Base-Base interactions energy: -246.263 where: short stacking energy: -194.479 Base-Backbone interact. energy: -2.782 local terms energy: -458.263318 where: bonds (distance) C4'-P energy: -136.042 bonds (distance) P-C4' energy: -150.052 flat angles C4'-P-C4' energy: -133.049 flat angles P-C4'-P energy: -64.561 tors. eta vs tors. theta energy: 25.441 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: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2286.313406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.313406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.313406 (E_RNA) where: Base-Base interactions energy: -1416.986 where: short stacking energy: -741.610 Base-Backbone interact. energy: -1.966 local terms energy: -867.361607 where: bonds (distance) C4'-P energy: -175.560 bonds (distance) P-C4' energy: -183.090 flat angles C4'-P-C4' energy: -199.711 flat angles P-C4'-P energy: -125.759 tors. eta vs tors. theta energy: -183.242 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: 26 Temperature: 0.950000 Total energy: -2104.687214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.687214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.687214 (E_RNA) where: Base-Base interactions energy: -1288.814 where: short stacking energy: -673.352 Base-Backbone interact. energy: -2.367 local terms energy: -813.506261 where: bonds (distance) C4'-P energy: -175.011 bonds (distance) P-C4' energy: -180.777 flat angles C4'-P-C4' energy: -188.101 flat angles P-C4'-P energy: -122.472 tors. eta vs tors. theta energy: -147.145 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: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2033.098173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.098173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.098173 (E_RNA) where: Base-Base interactions energy: -1219.719 where: short stacking energy: -668.203 Base-Backbone interact. energy: -3.318 local terms energy: -810.060247 where: bonds (distance) C4'-P energy: -180.131 bonds (distance) P-C4' energy: -160.477 flat angles C4'-P-C4' energy: -177.196 flat angles P-C4'-P energy: -118.173 tors. eta vs tors. theta energy: -174.084 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: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1841.599778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.599778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.599778 (E_RNA) where: Base-Base interactions energy: -1099.462 where: short stacking energy: -599.886 Base-Backbone interact. energy: -7.223 local terms energy: -734.915123 where: bonds (distance) C4'-P energy: -163.755 bonds (distance) P-C4' energy: -164.280 flat angles C4'-P-C4' energy: -178.592 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -128.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1559.870551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.870551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.870551 (E_RNA) where: Base-Base interactions energy: -876.865 where: short stacking energy: -516.325 Base-Backbone interact. energy: -1.012 local terms energy: -681.993011 where: bonds (distance) C4'-P energy: -165.317 bonds (distance) P-C4' energy: -166.488 flat angles C4'-P-C4' energy: -166.516 flat angles P-C4'-P energy: -100.475 tors. eta vs tors. theta energy: -83.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1515.841200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.841200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.841200 (E_RNA) where: Base-Base interactions energy: -846.345 where: short stacking energy: -490.258 Base-Backbone interact. energy: -1.923 local terms energy: -667.573232 where: bonds (distance) C4'-P energy: -174.371 bonds (distance) P-C4' energy: -156.889 flat angles C4'-P-C4' energy: -158.104 flat angles P-C4'-P energy: -95.608 tors. eta vs tors. theta energy: -82.600 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: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1399.688842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.688842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.688842 (E_RNA) where: Base-Base interactions energy: -831.994 where: short stacking energy: -428.927 Base-Backbone interact. energy: 6.327 local terms energy: -574.021439 where: bonds (distance) C4'-P energy: -148.711 bonds (distance) P-C4' energy: -150.391 flat angles C4'-P-C4' energy: -135.479 flat angles P-C4'-P energy: -87.147 tors. eta vs tors. theta energy: -52.293 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: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1175.984604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.984604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.984604 (E_RNA) where: Base-Base interactions energy: -630.702 where: short stacking energy: -324.154 Base-Backbone interact. energy: -3.272 local terms energy: -542.010478 where: bonds (distance) C4'-P energy: -155.162 bonds (distance) P-C4' energy: -130.494 flat angles C4'-P-C4' energy: -146.256 flat angles P-C4'-P energy: -99.637 tors. eta vs tors. theta energy: -10.461 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: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1072.243286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.243286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.243286 (E_RNA) where: Base-Base interactions energy: -562.386 where: short stacking energy: -378.002 Base-Backbone interact. energy: 3.246 local terms energy: -513.103653 where: bonds (distance) C4'-P energy: -130.961 bonds (distance) P-C4' energy: -147.220 flat angles C4'-P-C4' energy: -110.975 flat angles P-C4'-P energy: -88.073 tors. eta vs tors. theta energy: -35.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -724.913709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.913709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.913709 (E_RNA) where: Base-Base interactions energy: -279.482 where: short stacking energy: -205.587 Base-Backbone interact. energy: 1.429 local terms energy: -446.860441 where: bonds (distance) C4'-P energy: -126.131 bonds (distance) P-C4' energy: -151.961 flat angles C4'-P-C4' energy: -138.485 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: 36.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2272.495039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.495039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.495039 (E_RNA) where: Base-Base interactions energy: -1410.640 where: short stacking energy: -752.354 Base-Backbone interact. energy: 1.091 local terms energy: -862.945959 where: bonds (distance) C4'-P energy: -173.592 bonds (distance) P-C4' energy: -174.457 flat angles C4'-P-C4' energy: -192.673 flat angles P-C4'-P energy: -129.590 tors. eta vs tors. theta energy: -192.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2123.577484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.577484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.577484 (E_RNA) where: Base-Base interactions energy: -1283.968 where: short stacking energy: -677.221 Base-Backbone interact. energy: -2.042 local terms energy: -837.567340 where: bonds (distance) C4'-P energy: -187.435 bonds (distance) P-C4' energy: -184.463 flat angles C4'-P-C4' energy: -186.581 flat angles P-C4'-P energy: -125.845 tors. eta vs tors. theta energy: -153.244 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: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2036.901666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.901666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.901666 (E_RNA) where: Base-Base interactions energy: -1239.321 where: short stacking energy: -677.896 Base-Backbone interact. energy: -1.044 local terms energy: -796.537358 where: bonds (distance) C4'-P energy: -172.102 bonds (distance) P-C4' energy: -164.598 flat angles C4'-P-C4' energy: -175.963 flat angles P-C4'-P energy: -111.788 tors. eta vs tors. theta energy: -172.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1941.025409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.025409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.025409 (E_RNA) where: Base-Base interactions energy: -1188.704 where: short stacking energy: -645.512 Base-Backbone interact. energy: -2.559 local terms energy: -749.762537 where: bonds (distance) C4'-P energy: -158.325 bonds (distance) P-C4' energy: -161.524 flat angles C4'-P-C4' energy: -187.644 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -135.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1505.433658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.433658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.433658 (E_RNA) where: Base-Base interactions energy: -870.259 where: short stacking energy: -500.061 Base-Backbone interact. energy: -2.622 local terms energy: -632.553186 where: bonds (distance) C4'-P energy: -150.078 bonds (distance) P-C4' energy: -152.527 flat angles C4'-P-C4' energy: -141.382 flat angles P-C4'-P energy: -100.238 tors. eta vs tors. theta energy: -88.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1522.504924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.504924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.504924 (E_RNA) where: Base-Base interactions energy: -859.869 where: short stacking energy: -475.678 Base-Backbone interact. energy: -3.757 local terms energy: -658.878377 where: bonds (distance) C4'-P energy: -151.111 bonds (distance) P-C4' energy: -178.225 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -110.360 tors. eta vs tors. theta energy: -58.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1301.327296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.327296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.327296 (E_RNA) where: Base-Base interactions energy: -706.467 where: short stacking energy: -415.641 Base-Backbone interact. energy: 2.350 local terms energy: -597.210699 where: bonds (distance) C4'-P energy: -148.830 bonds (distance) P-C4' energy: -135.203 flat angles C4'-P-C4' energy: -155.306 flat angles P-C4'-P energy: -95.743 tors. eta vs tors. theta energy: -62.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1144.280347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.280347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.280347 (E_RNA) where: Base-Base interactions energy: -603.769 where: short stacking energy: -314.615 Base-Backbone interact. energy: -0.873 local terms energy: -539.639021 where: bonds (distance) C4'-P energy: -155.373 bonds (distance) P-C4' energy: -160.361 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -72.770 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: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -960.253100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.253100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.253100 (E_RNA) where: Base-Base interactions energy: -443.633 where: short stacking energy: -266.443 Base-Backbone interact. energy: 0.072 local terms energy: -516.691660 where: bonds (distance) C4'-P energy: -144.112 bonds (distance) P-C4' energy: -166.697 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: 17.688 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: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -891.388112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.388112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.388112 (E_RNA) where: Base-Base interactions energy: -423.944 where: short stacking energy: -270.981 Base-Backbone interact. energy: 6.248 local terms energy: -473.691978 where: bonds (distance) C4'-P energy: -147.084 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -125.671 flat angles P-C4'-P energy: -88.776 tors. eta vs tors. theta energy: 24.801 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: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2337.404398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.404398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.404398 (E_RNA) where: Base-Base interactions energy: -1460.480 where: short stacking energy: -763.639 Base-Backbone interact. energy: 0.149 local terms energy: -877.073887 where: bonds (distance) C4'-P energy: -173.883 bonds (distance) P-C4' energy: -179.782 flat angles C4'-P-C4' energy: -205.089 flat angles P-C4'-P energy: -108.767 tors. eta vs tors. theta energy: -209.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2114.801983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.801983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.801983 (E_RNA) where: Base-Base interactions energy: -1321.353 where: short stacking energy: -692.210 Base-Backbone interact. energy: -6.368 local terms energy: -787.080811 where: bonds (distance) C4'-P energy: -151.574 bonds (distance) P-C4' energy: -182.641 flat angles C4'-P-C4' energy: -189.839 flat angles P-C4'-P energy: -118.508 tors. eta vs tors. theta energy: -144.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2074.777521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.777521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.777521 (E_RNA) where: Base-Base interactions energy: -1265.657 where: short stacking energy: -670.952 Base-Backbone interact. energy: -2.434 local terms energy: -806.686116 where: bonds (distance) C4'-P energy: -154.641 bonds (distance) P-C4' energy: -186.472 flat angles C4'-P-C4' energy: -191.861 flat angles P-C4'-P energy: -119.630 tors. eta vs tors. theta energy: -154.082 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: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2012.265060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.265060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.265060 (E_RNA) where: Base-Base interactions energy: -1259.184 where: short stacking energy: -664.120 Base-Backbone interact. energy: 1.554 local terms energy: -754.634281 where: bonds (distance) C4'-P energy: -173.224 bonds (distance) P-C4' energy: -143.093 flat angles C4'-P-C4' energy: -177.028 flat angles P-C4'-P energy: -114.886 tors. eta vs tors. theta energy: -146.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1833.311399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.311399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.311399 (E_RNA) where: Base-Base interactions energy: -1076.333 where: short stacking energy: -580.325 Base-Backbone interact. energy: -3.525 local terms energy: -753.452834 where: bonds (distance) C4'-P energy: -168.487 bonds (distance) P-C4' energy: -176.368 flat angles C4'-P-C4' energy: -189.339 flat angles P-C4'-P energy: -85.075 tors. eta vs tors. theta energy: -134.183 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: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1402.896485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.896485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.896485 (E_RNA) where: Base-Base interactions energy: -769.741 where: short stacking energy: -438.059 Base-Backbone interact. energy: 0.461 local terms energy: -633.616511 where: bonds (distance) C4'-P energy: -158.163 bonds (distance) P-C4' energy: -180.739 flat angles C4'-P-C4' energy: -144.913 flat angles P-C4'-P energy: -79.473 tors. eta vs tors. theta energy: -70.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1334.962487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.962487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.962487 (E_RNA) where: Base-Base interactions energy: -746.464 where: short stacking energy: -417.933 Base-Backbone interact. energy: -4.609 local terms energy: -583.889809 where: bonds (distance) C4'-P energy: -138.878 bonds (distance) P-C4' energy: -148.807 flat angles C4'-P-C4' energy: -158.683 flat angles P-C4'-P energy: -93.720 tors. eta vs tors. theta energy: -43.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1153.708501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.708501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.708501 (E_RNA) where: Base-Base interactions energy: -595.913 where: short stacking energy: -335.433 Base-Backbone interact. energy: 2.649 local terms energy: -560.444613 where: bonds (distance) C4'-P energy: -157.487 bonds (distance) P-C4' energy: -167.954 flat angles C4'-P-C4' energy: -153.246 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -9.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -967.004328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.004328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.004328 (E_RNA) where: Base-Base interactions energy: -491.093 where: short stacking energy: -276.769 Base-Backbone interact. energy: -0.649 local terms energy: -475.262201 where: bonds (distance) C4'-P energy: -114.485 bonds (distance) P-C4' energy: -164.855 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: 9.027 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: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -947.413643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.413643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.413643 (E_RNA) where: Base-Base interactions energy: -457.415 where: short stacking energy: -263.198 Base-Backbone interact. energy: 3.632 local terms energy: -493.630621 where: bonds (distance) C4'-P energy: -137.216 bonds (distance) P-C4' energy: -174.797 flat angles C4'-P-C4' energy: -105.794 flat angles P-C4'-P energy: -71.277 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2382.637650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.637650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.637650 (E_RNA) where: Base-Base interactions energy: -1498.798 where: short stacking energy: -765.553 Base-Backbone interact. energy: -3.198 local terms energy: -880.641697 where: bonds (distance) C4'-P energy: -181.602 bonds (distance) P-C4' energy: -178.902 flat angles C4'-P-C4' energy: -198.626 flat angles P-C4'-P energy: -119.146 tors. eta vs tors. theta energy: -202.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2133.106919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.106919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.106919 (E_RNA) where: Base-Base interactions energy: -1306.700 where: short stacking energy: -680.282 Base-Backbone interact. energy: 0.031 local terms energy: -826.437517 where: bonds (distance) C4'-P energy: -179.237 bonds (distance) P-C4' energy: -170.846 flat angles C4'-P-C4' energy: -206.931 flat angles P-C4'-P energy: -119.846 tors. eta vs tors. theta energy: -149.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2159.559363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.559363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.559363 (E_RNA) where: Base-Base interactions energy: -1308.984 where: short stacking energy: -696.360 Base-Backbone interact. energy: -4.301 local terms energy: -846.273972 where: bonds (distance) C4'-P energy: -163.839 bonds (distance) P-C4' energy: -185.990 flat angles C4'-P-C4' energy: -189.099 flat angles P-C4'-P energy: -125.634 tors. eta vs tors. theta energy: -181.711 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: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2087.251457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.251457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.251457 (E_RNA) where: Base-Base interactions energy: -1293.472 where: short stacking energy: -635.644 Base-Backbone interact. energy: -5.528 local terms energy: -788.251203 where: bonds (distance) C4'-P energy: -160.383 bonds (distance) P-C4' energy: -181.613 flat angles C4'-P-C4' energy: -173.100 flat angles P-C4'-P energy: -120.521 tors. eta vs tors. theta energy: -152.635 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: 5, replica: 6 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1838.502781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.502781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.502781 (E_RNA) where: Base-Base interactions energy: -1114.702 where: short stacking energy: -572.127 Base-Backbone interact. energy: -5.077 local terms energy: -718.723507 where: bonds (distance) C4'-P energy: -158.929 bonds (distance) P-C4' energy: -176.051 flat angles C4'-P-C4' energy: -174.112 flat angles P-C4'-P energy: -106.521 tors. eta vs tors. theta energy: -103.110 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: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1448.285770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.285770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.285770 (E_RNA) where: Base-Base interactions energy: -810.790 where: short stacking energy: -495.889 Base-Backbone interact. energy: 0.699 local terms energy: -638.194539 where: bonds (distance) C4'-P energy: -182.420 bonds (distance) P-C4' energy: -155.696 flat angles C4'-P-C4' energy: -150.968 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: -86.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1396.407056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.407056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.407056 (E_RNA) where: Base-Base interactions energy: -806.170 where: short stacking energy: -455.681 Base-Backbone interact. energy: -2.144 local terms energy: -588.092936 where: bonds (distance) C4'-P energy: -147.502 bonds (distance) P-C4' energy: -146.622 flat angles C4'-P-C4' energy: -142.966 flat angles P-C4'-P energy: -90.768 tors. eta vs tors. theta energy: -60.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1197.874817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.874817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.874817 (E_RNA) where: Base-Base interactions energy: -675.617 where: short stacking energy: -375.171 Base-Backbone interact. energy: -1.561 local terms energy: -520.696470 where: bonds (distance) C4'-P energy: -135.477 bonds (distance) P-C4' energy: -176.273 flat angles C4'-P-C4' energy: -127.591 flat angles P-C4'-P energy: -70.370 tors. eta vs tors. theta energy: -10.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -994.293365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.293365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.293365 (E_RNA) where: Base-Base interactions energy: -509.039 where: short stacking energy: -304.992 Base-Backbone interact. energy: 0.518 local terms energy: -485.772727 where: bonds (distance) C4'-P energy: -149.777 bonds (distance) P-C4' energy: -150.835 flat angles C4'-P-C4' energy: -113.152 flat angles P-C4'-P energy: -75.277 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: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -892.169793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.169793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.169793 (E_RNA) where: Base-Base interactions energy: -453.232 where: short stacking energy: -258.788 Base-Backbone interact. energy: 0.232 local terms energy: -439.170288 where: bonds (distance) C4'-P energy: -138.836 bonds (distance) P-C4' energy: -126.490 flat angles C4'-P-C4' energy: -134.362 flat angles P-C4'-P energy: -53.882 tors. eta vs tors. theta energy: 14.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2389.449895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.449895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.449895 (E_RNA) where: Base-Base interactions energy: -1483.411 where: short stacking energy: -775.902 Base-Backbone interact. energy: -4.576 local terms energy: -901.463165 where: bonds (distance) C4'-P energy: -170.077 bonds (distance) P-C4' energy: -195.642 flat angles C4'-P-C4' energy: -203.469 flat angles P-C4'-P energy: -126.979 tors. eta vs tors. theta energy: -205.296 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: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2139.164098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.164098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.164098 (E_RNA) where: Base-Base interactions energy: -1319.787 where: short stacking energy: -683.465 Base-Backbone interact. energy: -3.919 local terms energy: -815.457426 where: bonds (distance) C4'-P energy: -180.339 bonds (distance) P-C4' energy: -178.858 flat angles C4'-P-C4' energy: -170.874 flat angles P-C4'-P energy: -111.441 tors. eta vs tors. theta energy: -173.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2094.163137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.163137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.163137 (E_RNA) where: Base-Base interactions energy: -1267.636 where: short stacking energy: -676.098 Base-Backbone interact. energy: -3.315 local terms energy: -823.212692 where: bonds (distance) C4'-P energy: -187.113 bonds (distance) P-C4' energy: -176.981 flat angles C4'-P-C4' energy: -188.769 flat angles P-C4'-P energy: -118.163 tors. eta vs tors. theta energy: -152.187 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: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2034.554330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.554330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.554330 (E_RNA) where: Base-Base interactions energy: -1269.220 where: short stacking energy: -653.916 Base-Backbone interact. energy: -1.884 local terms energy: -763.449604 where: bonds (distance) C4'-P energy: -175.207 bonds (distance) P-C4' energy: -180.520 flat angles C4'-P-C4' energy: -148.667 flat angles P-C4'-P energy: -118.863 tors. eta vs tors. theta energy: -140.193 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: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1927.086275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.086275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.086275 (E_RNA) where: Base-Base interactions energy: -1207.306 where: short stacking energy: -590.688 Base-Backbone interact. energy: 1.229 local terms energy: -721.009259 where: bonds (distance) C4'-P energy: -149.983 bonds (distance) P-C4' energy: -175.965 flat angles C4'-P-C4' energy: -172.539 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -141.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1435.520923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.520923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.520923 (E_RNA) where: Base-Base interactions energy: -773.525 where: short stacking energy: -463.362 Base-Backbone interact. energy: -0.072 local terms energy: -661.923622 where: bonds (distance) C4'-P energy: -167.022 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -171.226 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -79.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1385.997155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.997155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.997155 (E_RNA) where: Base-Base interactions energy: -776.813 where: short stacking energy: -447.430 Base-Backbone interact. energy: 1.633 local terms energy: -610.816796 where: bonds (distance) C4'-P energy: -135.068 bonds (distance) P-C4' energy: -167.483 flat angles C4'-P-C4' energy: -151.131 flat angles P-C4'-P energy: -96.127 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: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1177.696877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.696877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.696877 (E_RNA) where: Base-Base interactions energy: -634.754 where: short stacking energy: -332.066 Base-Backbone interact. energy: -1.813 local terms energy: -541.129922 where: bonds (distance) C4'-P energy: -154.876 bonds (distance) P-C4' energy: -161.319 flat angles C4'-P-C4' energy: -133.958 flat angles P-C4'-P energy: -77.049 tors. eta vs tors. theta energy: -13.929 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: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -958.430242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.430242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.430242 (E_RNA) where: Base-Base interactions energy: -453.192 where: short stacking energy: -283.408 Base-Backbone interact. energy: -2.056 local terms energy: -503.181846 where: bonds (distance) C4'-P energy: -126.755 bonds (distance) P-C4' energy: -162.971 flat angles C4'-P-C4' energy: -138.531 flat angles P-C4'-P energy: -83.778 tors. eta vs tors. theta energy: 8.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -907.432207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.432207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.432207 (E_RNA) where: Base-Base interactions energy: -455.784 where: short stacking energy: -252.652 Base-Backbone interact. energy: 0.770 local terms energy: -452.417659 where: bonds (distance) C4'-P energy: -145.096 bonds (distance) P-C4' energy: -144.984 flat angles C4'-P-C4' energy: -111.895 flat angles P-C4'-P energy: -60.271 tors. eta vs tors. theta energy: 9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2401.366014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.366014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.366014 (E_RNA) where: Base-Base interactions energy: -1496.184 where: short stacking energy: -774.347 Base-Backbone interact. energy: -2.180 local terms energy: -903.002315 where: bonds (distance) C4'-P energy: -176.635 bonds (distance) P-C4' energy: -195.222 flat angles C4'-P-C4' energy: -192.862 flat angles P-C4'-P energy: -114.229 tors. eta vs tors. theta energy: -224.054 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: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2142.605096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.605096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.605096 (E_RNA) where: Base-Base interactions energy: -1280.901 where: short stacking energy: -680.366 Base-Backbone interact. energy: -3.867 local terms energy: -857.836720 where: bonds (distance) C4'-P energy: -167.512 bonds (distance) P-C4' energy: -189.781 flat angles C4'-P-C4' energy: -198.049 flat angles P-C4'-P energy: -126.658 tors. eta vs tors. theta energy: -175.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2095.869281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.869281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.869281 (E_RNA) where: Base-Base interactions energy: -1278.328 where: short stacking energy: -699.896 Base-Backbone interact. energy: -3.825 local terms energy: -813.716266 where: bonds (distance) C4'-P energy: -172.005 bonds (distance) P-C4' energy: -176.787 flat angles C4'-P-C4' energy: -198.421 flat angles P-C4'-P energy: -108.145 tors. eta vs tors. theta energy: -158.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2147.555094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.555094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.555094 (E_RNA) where: Base-Base interactions energy: -1363.411 where: short stacking energy: -684.694 Base-Backbone interact. energy: 1.669 local terms energy: -785.812849 where: bonds (distance) C4'-P energy: -171.844 bonds (distance) P-C4' energy: -170.306 flat angles C4'-P-C4' energy: -178.076 flat angles P-C4'-P energy: -115.042 tors. eta vs tors. theta energy: -150.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1946.069258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.069258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.069258 (E_RNA) where: Base-Base interactions energy: -1221.742 where: short stacking energy: -600.464 Base-Backbone interact. energy: 1.795 local terms energy: -726.122012 where: bonds (distance) C4'-P energy: -165.594 bonds (distance) P-C4' energy: -150.461 flat angles C4'-P-C4' energy: -182.341 flat angles P-C4'-P energy: -107.596 tors. eta vs tors. theta energy: -120.129 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: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1416.363166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.363166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.363166 (E_RNA) where: Base-Base interactions energy: -745.986 where: short stacking energy: -446.674 Base-Backbone interact. energy: -4.217 local terms energy: -666.160133 where: bonds (distance) C4'-P energy: -164.579 bonds (distance) P-C4' energy: -168.912 flat angles C4'-P-C4' energy: -168.146 flat angles P-C4'-P energy: -99.302 tors. eta vs tors. theta energy: -65.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1398.675968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.675968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.675968 (E_RNA) where: Base-Base interactions energy: -794.339 where: short stacking energy: -457.072 Base-Backbone interact. energy: -3.186 local terms energy: -601.150152 where: bonds (distance) C4'-P energy: -160.683 bonds (distance) P-C4' energy: -158.980 flat angles C4'-P-C4' energy: -125.424 flat angles P-C4'-P energy: -98.415 tors. eta vs tors. theta energy: -57.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1195.331656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.331656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.331656 (E_RNA) where: Base-Base interactions energy: -639.378 where: short stacking energy: -325.378 Base-Backbone interact. energy: -3.351 local terms energy: -552.602714 where: bonds (distance) C4'-P energy: -137.166 bonds (distance) P-C4' energy: -178.139 flat angles C4'-P-C4' energy: -143.561 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -13.492 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: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1006.549210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.549210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.549210 (E_RNA) where: Base-Base interactions energy: -500.110 where: short stacking energy: -301.880 Base-Backbone interact. energy: 2.205 local terms energy: -508.644407 where: bonds (distance) C4'-P energy: -140.207 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -151.766 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -10.770 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: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -920.432263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.432263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.432263 (E_RNA) where: Base-Base interactions energy: -454.567 where: short stacking energy: -263.326 Base-Backbone interact. energy: 3.283 local terms energy: -469.148813 where: bonds (distance) C4'-P energy: -150.434 bonds (distance) P-C4' energy: -143.842 flat angles C4'-P-C4' energy: -120.750 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: 7.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2435.260601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.260601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.260601 (E_RNA) where: Base-Base interactions energy: -1559.173 where: short stacking energy: -767.002 Base-Backbone interact. energy: 2.031 local terms energy: -878.118262 where: bonds (distance) C4'-P energy: -183.430 bonds (distance) P-C4' energy: -188.585 flat angles C4'-P-C4' energy: -204.032 flat angles P-C4'-P energy: -108.670 tors. eta vs tors. theta energy: -193.401 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: 32 Temperature: 0.950000 Total energy: -2142.091022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.091022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.091022 (E_RNA) where: Base-Base interactions energy: -1322.585 where: short stacking energy: -679.281 Base-Backbone interact. energy: -2.667 local terms energy: -816.839026 where: bonds (distance) C4'-P energy: -169.400 bonds (distance) P-C4' energy: -190.780 flat angles C4'-P-C4' energy: -182.128 flat angles P-C4'-P energy: -116.912 tors. eta vs tors. theta energy: -157.618 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: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2335.890861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.890861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.890861 (E_RNA) where: Base-Base interactions energy: -1491.223 where: short stacking energy: -737.514 Base-Backbone interact. energy: -0.180 local terms energy: -844.487363 where: bonds (distance) C4'-P energy: -173.967 bonds (distance) P-C4' energy: -157.170 flat angles C4'-P-C4' energy: -203.377 flat angles P-C4'-P energy: -119.415 tors. eta vs tors. theta energy: -190.558 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2021.323482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.323482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.323482 (E_RNA) where: Base-Base interactions energy: -1209.451 where: short stacking energy: -640.610 Base-Backbone interact. energy: -6.100 local terms energy: -805.773301 where: bonds (distance) C4'-P energy: -167.538 bonds (distance) P-C4' energy: -175.823 flat angles C4'-P-C4' energy: -176.531 flat angles P-C4'-P energy: -119.944 tors. eta vs tors. theta energy: -165.938 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: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2037.746591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.746591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.746591 (E_RNA) where: Base-Base interactions energy: -1286.062 where: short stacking energy: -627.365 Base-Backbone interact. energy: -2.037 local terms energy: -749.647253 where: bonds (distance) C4'-P energy: -172.817 bonds (distance) P-C4' energy: -181.483 flat angles C4'-P-C4' energy: -159.592 flat angles P-C4'-P energy: -104.160 tors. eta vs tors. theta energy: -131.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1425.144463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.144463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.144463 (E_RNA) where: Base-Base interactions energy: -760.929 where: short stacking energy: -450.032 Base-Backbone interact. energy: -1.815 local terms energy: -662.400786 where: bonds (distance) C4'-P energy: -151.864 bonds (distance) P-C4' energy: -170.500 flat angles C4'-P-C4' energy: -164.779 flat angles P-C4'-P energy: -111.067 tors. eta vs tors. theta energy: -64.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1359.119519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.119519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.119519 (E_RNA) where: Base-Base interactions energy: -751.851 where: short stacking energy: -444.917 Base-Backbone interact. energy: 1.589 local terms energy: -608.857606 where: bonds (distance) C4'-P energy: -173.623 bonds (distance) P-C4' energy: -136.224 flat angles C4'-P-C4' energy: -155.752 flat angles P-C4'-P energy: -98.323 tors. eta vs tors. theta energy: -44.936 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: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1248.041262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.041262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.041262 (E_RNA) where: Base-Base interactions energy: -642.715 where: short stacking energy: -345.411 Base-Backbone interact. energy: 0.446 local terms energy: -605.771716 where: bonds (distance) C4'-P energy: -155.596 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -160.738 flat angles P-C4'-P energy: -93.078 tors. eta vs tors. theta energy: -30.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1005.525417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.525417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.525417 (E_RNA) where: Base-Base interactions energy: -516.899 where: short stacking energy: -304.330 Base-Backbone interact. energy: 0.564 local terms energy: -489.190117 where: bonds (distance) C4'-P energy: -127.585 bonds (distance) P-C4' energy: -154.638 flat angles C4'-P-C4' energy: -138.980 flat angles P-C4'-P energy: -68.071 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -848.883489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.883489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.883489 (E_RNA) where: Base-Base interactions energy: -378.184 where: short stacking energy: -247.272 Base-Backbone interact. energy: -0.004 local terms energy: -470.695775 where: bonds (distance) C4'-P energy: -139.520 bonds (distance) P-C4' energy: -143.547 flat angles C4'-P-C4' energy: -132.376 flat angles P-C4'-P energy: -76.940 tors. eta vs tors. theta energy: 21.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2418.693137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.693137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.693137 (E_RNA) where: Base-Base interactions energy: -1523.902 where: short stacking energy: -796.485 Base-Backbone interact. energy: 0.074 local terms energy: -894.864406 where: bonds (distance) C4'-P energy: -190.589 bonds (distance) P-C4' energy: -178.967 flat angles C4'-P-C4' energy: -201.185 flat angles P-C4'-P energy: -118.833 tors. eta vs tors. theta energy: -205.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2423.809722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.809722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.809722 (E_RNA) where: Base-Base interactions energy: -1539.273 where: short stacking energy: -736.526 Base-Backbone interact. energy: -5.716 local terms energy: -878.821003 where: bonds (distance) C4'-P energy: -174.140 bonds (distance) P-C4' energy: -192.404 flat angles C4'-P-C4' energy: -193.245 flat angles P-C4'-P energy: -124.741 tors. eta vs tors. theta energy: -194.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2078.618190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.618190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.618190 (E_RNA) where: Base-Base interactions energy: -1282.064 where: short stacking energy: -698.741 Base-Backbone interact. energy: -1.776 local terms energy: -794.778173 where: bonds (distance) C4'-P energy: -166.154 bonds (distance) P-C4' energy: -171.865 flat angles C4'-P-C4' energy: -172.650 flat angles P-C4'-P energy: -120.291 tors. eta vs tors. theta energy: -163.819 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: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2156.836491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.836491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.836491 (E_RNA) where: Base-Base interactions energy: -1399.666 where: short stacking energy: -654.725 Base-Backbone interact. energy: -0.888 local terms energy: -756.282680 where: bonds (distance) C4'-P energy: -149.391 bonds (distance) P-C4' energy: -175.583 flat angles C4'-P-C4' energy: -193.290 flat angles P-C4'-P energy: -95.766 tors. eta vs tors. theta energy: -142.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1872.713547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.713547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.713547 (E_RNA) where: Base-Base interactions energy: -1133.364 where: short stacking energy: -586.817 Base-Backbone interact. energy: -1.234 local terms energy: -738.115269 where: bonds (distance) C4'-P energy: -156.407 bonds (distance) P-C4' energy: -170.742 flat angles C4'-P-C4' energy: -172.672 flat angles P-C4'-P energy: -115.562 tors. eta vs tors. theta energy: -122.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1414.360963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.360963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.360963 (E_RNA) where: Base-Base interactions energy: -779.873 where: short stacking energy: -468.961 Base-Backbone interact. energy: -1.324 local terms energy: -633.164101 where: bonds (distance) C4'-P energy: -165.536 bonds (distance) P-C4' energy: -149.727 flat angles C4'-P-C4' energy: -156.547 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -83.712 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1373.765417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.765417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.765417 (E_RNA) where: Base-Base interactions energy: -756.716 where: short stacking energy: -433.864 Base-Backbone interact. energy: 1.605 local terms energy: -618.654455 where: bonds (distance) C4'-P energy: -134.899 bonds (distance) P-C4' energy: -164.944 flat angles C4'-P-C4' energy: -152.783 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -66.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1210.528140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.528140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.528140 (E_RNA) where: Base-Base interactions energy: -670.059 where: short stacking energy: -364.427 Base-Backbone interact. energy: 2.733 local terms energy: -543.201261 where: bonds (distance) C4'-P energy: -162.214 bonds (distance) P-C4' energy: -151.848 flat angles C4'-P-C4' energy: -130.699 flat angles P-C4'-P energy: -71.193 tors. eta vs tors. theta energy: -27.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1027.676508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.676508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.676508 (E_RNA) where: Base-Base interactions energy: -507.047 where: short stacking energy: -284.119 Base-Backbone interact. energy: -3.543 local terms energy: -517.085695 where: bonds (distance) C4'-P energy: -141.647 bonds (distance) P-C4' energy: -151.223 flat angles C4'-P-C4' energy: -124.486 flat angles P-C4'-P energy: -97.934 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -836.995626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.995626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.995626 (E_RNA) where: Base-Base interactions energy: -359.854 where: short stacking energy: -227.734 Base-Backbone interact. energy: 5.701 local terms energy: -482.842648 where: bonds (distance) C4'-P energy: -137.213 bonds (distance) P-C4' energy: -153.551 flat angles C4'-P-C4' energy: -134.386 flat angles P-C4'-P energy: -74.068 tors. eta vs tors. theta energy: 16.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2532.008439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.008439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.008439 (E_RNA) where: Base-Base interactions energy: -1643.556 where: short stacking energy: -791.377 Base-Backbone interact. energy: -3.768 local terms energy: -884.684446 where: bonds (distance) C4'-P energy: -180.193 bonds (distance) P-C4' energy: -184.975 flat angles C4'-P-C4' energy: -180.638 flat angles P-C4'-P energy: -126.386 tors. eta vs tors. theta energy: -212.492 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2318.515229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.515229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.515229 (E_RNA) where: Base-Base interactions energy: -1434.359 where: short stacking energy: -750.076 Base-Backbone interact. energy: -2.836 local terms energy: -881.320584 where: bonds (distance) C4'-P energy: -169.406 bonds (distance) P-C4' energy: -188.221 flat angles C4'-P-C4' energy: -178.243 flat angles P-C4'-P energy: -127.797 tors. eta vs tors. theta energy: -217.654 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: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2294.391375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.391375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.391375 (E_RNA) where: Base-Base interactions energy: -1457.859 where: short stacking energy: -717.257 Base-Backbone interact. energy: -4.115 local terms energy: -832.416903 where: bonds (distance) C4'-P energy: -156.670 bonds (distance) P-C4' energy: -167.293 flat angles C4'-P-C4' energy: -196.184 flat angles P-C4'-P energy: -129.752 tors. eta vs tors. theta energy: -182.518 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: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1991.606634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.606634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.606634 (E_RNA) where: Base-Base interactions energy: -1259.803 where: short stacking energy: -620.679 Base-Backbone interact. energy: -4.573 local terms energy: -727.230742 where: bonds (distance) C4'-P energy: -164.515 bonds (distance) P-C4' energy: -160.567 flat angles C4'-P-C4' energy: -149.190 flat angles P-C4'-P energy: -114.782 tors. eta vs tors. theta energy: -138.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1998.741440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.741440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.741440 (E_RNA) where: Base-Base interactions energy: -1244.310 where: short stacking energy: -641.127 Base-Backbone interact. energy: -2.499 local terms energy: -751.932254 where: bonds (distance) C4'-P energy: -157.888 bonds (distance) P-C4' energy: -173.687 flat angles C4'-P-C4' energy: -175.060 flat angles P-C4'-P energy: -92.811 tors. eta vs tors. theta energy: -152.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1467.741776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.741776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.741776 (E_RNA) where: Base-Base interactions energy: -811.626 where: short stacking energy: -456.677 Base-Backbone interact. energy: -3.265 local terms energy: -652.849953 where: bonds (distance) C4'-P energy: -163.321 bonds (distance) P-C4' energy: -153.668 flat angles C4'-P-C4' energy: -172.924 flat angles P-C4'-P energy: -90.950 tors. eta vs tors. theta energy: -71.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1475.952691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.952691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.952691 (E_RNA) where: Base-Base interactions energy: -854.363 where: short stacking energy: -467.808 Base-Backbone interact. energy: -1.540 local terms energy: -620.049562 where: bonds (distance) C4'-P energy: -125.069 bonds (distance) P-C4' energy: -167.980 flat angles C4'-P-C4' energy: -156.329 flat angles P-C4'-P energy: -84.649 tors. eta vs tors. theta energy: -86.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1193.999521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.999521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.999521 (E_RNA) where: Base-Base interactions energy: -644.350 where: short stacking energy: -373.122 Base-Backbone interact. energy: -0.383 local terms energy: -549.266142 where: bonds (distance) C4'-P energy: -148.631 bonds (distance) P-C4' energy: -150.630 flat angles C4'-P-C4' energy: -129.847 flat angles P-C4'-P energy: -86.296 tors. eta vs tors. theta energy: -33.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1047.930242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.930242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.930242 (E_RNA) where: Base-Base interactions energy: -534.839 where: short stacking energy: -291.080 Base-Backbone interact. energy: 9.886 local terms energy: -522.977601 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -152.489 flat angles C4'-P-C4' energy: -129.085 flat angles P-C4'-P energy: -86.750 tors. eta vs tors. theta energy: -13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -859.152139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.152139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.152139 (E_RNA) where: Base-Base interactions energy: -430.925 where: short stacking energy: -259.687 Base-Backbone interact. energy: 4.181 local terms energy: -432.408246 where: bonds (distance) C4'-P energy: -105.009 bonds (distance) P-C4' energy: -161.693 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -62.552 tors. eta vs tors. theta energy: 11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2572.925459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.925459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.925459 (E_RNA) where: Base-Base interactions energy: -1710.448 where: short stacking energy: -770.689 Base-Backbone interact. energy: -8.501 local terms energy: -853.976751 where: bonds (distance) C4'-P energy: -180.824 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -182.894 flat angles P-C4'-P energy: -122.978 tors. eta vs tors. theta energy: -202.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2323.125823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.125823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.125823 (E_RNA) where: Base-Base interactions energy: -1452.234 where: short stacking energy: -735.258 Base-Backbone interact. energy: -1.942 local terms energy: -868.949534 where: bonds (distance) C4'-P energy: -179.064 bonds (distance) P-C4' energy: -178.546 flat angles C4'-P-C4' energy: -191.703 flat angles P-C4'-P energy: -118.242 tors. eta vs tors. theta energy: -201.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2315.167328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.167328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.167328 (E_RNA) where: Base-Base interactions energy: -1470.458 where: short stacking energy: -715.079 Base-Backbone interact. energy: 0.967 local terms energy: -845.675702 where: bonds (distance) C4'-P energy: -180.539 bonds (distance) P-C4' energy: -173.354 flat angles C4'-P-C4' energy: -205.154 flat angles P-C4'-P energy: -109.710 tors. eta vs tors. theta energy: -176.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2107.746928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.746928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.746928 (E_RNA) where: Base-Base interactions energy: -1307.909 where: short stacking energy: -675.759 Base-Backbone interact. energy: -3.874 local terms energy: -795.964412 where: bonds (distance) C4'-P energy: -169.651 bonds (distance) P-C4' energy: -166.082 flat angles C4'-P-C4' energy: -168.249 flat angles P-C4'-P energy: -115.609 tors. eta vs tors. theta energy: -176.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1875.688641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.688641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.688641 (E_RNA) where: Base-Base interactions energy: -1137.937 where: short stacking energy: -567.305 Base-Backbone interact. energy: -1.428 local terms energy: -736.323939 where: bonds (distance) C4'-P energy: -171.107 bonds (distance) P-C4' energy: -146.335 flat angles C4'-P-C4' energy: -163.994 flat angles P-C4'-P energy: -124.614 tors. eta vs tors. theta energy: -130.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1567.524310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.524310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.524310 (E_RNA) where: Base-Base interactions energy: -890.124 where: short stacking energy: -468.646 Base-Backbone interact. energy: -0.048 local terms energy: -677.352867 where: bonds (distance) C4'-P energy: -168.379 bonds (distance) P-C4' energy: -171.899 flat angles C4'-P-C4' energy: -163.110 flat angles P-C4'-P energy: -101.362 tors. eta vs tors. theta energy: -72.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1437.532764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.532764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.532764 (E_RNA) where: Base-Base interactions energy: -791.301 where: short stacking energy: -447.969 Base-Backbone interact. energy: 0.663 local terms energy: -646.894361 where: bonds (distance) C4'-P energy: -154.148 bonds (distance) P-C4' energy: -159.050 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -114.766 tors. eta vs tors. theta energy: -68.699 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: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1306.787388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.787388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.787388 (E_RNA) where: Base-Base interactions energy: -747.754 where: short stacking energy: -394.678 Base-Backbone interact. energy: -1.451 local terms energy: -557.582917 where: bonds (distance) C4'-P energy: -163.060 bonds (distance) P-C4' energy: -136.200 flat angles C4'-P-C4' energy: -122.075 flat angles P-C4'-P energy: -80.154 tors. eta vs tors. theta energy: -56.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1086.653690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.653690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.653690 (E_RNA) where: Base-Base interactions energy: -578.281 where: short stacking energy: -333.036 Base-Backbone interact. energy: 1.917 local terms energy: -510.289835 where: bonds (distance) C4'-P energy: -150.975 bonds (distance) P-C4' energy: -139.150 flat angles C4'-P-C4' energy: -143.598 flat angles P-C4'-P energy: -68.524 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -878.534058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.534058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.534058 (E_RNA) where: Base-Base interactions energy: -403.883 where: short stacking energy: -246.473 Base-Backbone interact. energy: 0.355 local terms energy: -475.005725 where: bonds (distance) C4'-P energy: -133.152 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -128.225 flat angles P-C4'-P energy: -75.248 tors. eta vs tors. theta energy: 6.270 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: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2577.539204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.539204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.539204 (E_RNA) where: Base-Base interactions energy: -1655.553 where: short stacking energy: -750.411 Base-Backbone interact. energy: -5.649 local terms energy: -916.336939 where: bonds (distance) C4'-P energy: -184.677 bonds (distance) P-C4' energy: -198.380 flat angles C4'-P-C4' energy: -197.626 flat angles P-C4'-P energy: -136.462 tors. eta vs tors. theta energy: -199.192 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: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2333.758205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.758205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.758205 (E_RNA) where: Base-Base interactions energy: -1463.000 where: short stacking energy: -745.753 Base-Backbone interact. energy: -4.652 local terms energy: -866.105951 where: bonds (distance) C4'-P energy: -171.885 bonds (distance) P-C4' energy: -185.429 flat angles C4'-P-C4' energy: -193.477 flat angles P-C4'-P energy: -113.020 tors. eta vs tors. theta energy: -202.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2316.576715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.576715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.576715 (E_RNA) where: Base-Base interactions energy: -1450.439 where: short stacking energy: -746.463 Base-Backbone interact. energy: -1.641 local terms energy: -864.496905 where: bonds (distance) C4'-P energy: -183.998 bonds (distance) P-C4' energy: -169.104 flat angles C4'-P-C4' energy: -208.165 flat angles P-C4'-P energy: -125.460 tors. eta vs tors. theta energy: -177.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2204.753967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.753967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.753967 (E_RNA) where: Base-Base interactions energy: -1369.126 where: short stacking energy: -680.988 Base-Backbone interact. energy: -6.106 local terms energy: -829.521901 where: bonds (distance) C4'-P energy: -166.897 bonds (distance) P-C4' energy: -188.962 flat angles C4'-P-C4' energy: -185.606 flat angles P-C4'-P energy: -110.773 tors. eta vs tors. theta energy: -177.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1845.362404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.362404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.362404 (E_RNA) where: Base-Base interactions energy: -1131.767 where: short stacking energy: -603.987 Base-Backbone interact. energy: 4.003 local terms energy: -717.598806 where: bonds (distance) C4'-P energy: -161.543 bonds (distance) P-C4' energy: -189.376 flat angles C4'-P-C4' energy: -157.113 flat angles P-C4'-P energy: -82.582 tors. eta vs tors. theta energy: -126.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1536.700230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.700230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.700230 (E_RNA) where: Base-Base interactions energy: -889.256 where: short stacking energy: -484.217 Base-Backbone interact. energy: -0.613 local terms energy: -646.831489 where: bonds (distance) C4'-P energy: -153.302 bonds (distance) P-C4' energy: -150.454 flat angles C4'-P-C4' energy: -181.438 flat angles P-C4'-P energy: -107.150 tors. eta vs tors. theta energy: -54.487 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: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1349.492100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.492100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.492100 (E_RNA) where: Base-Base interactions energy: -762.334 where: short stacking energy: -393.731 Base-Backbone interact. energy: -0.576 local terms energy: -586.582139 where: bonds (distance) C4'-P energy: -159.768 bonds (distance) P-C4' energy: -152.229 flat angles C4'-P-C4' energy: -133.391 flat angles P-C4'-P energy: -98.088 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: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1263.731330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.731330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.731330 (E_RNA) where: Base-Base interactions energy: -717.492 where: short stacking energy: -393.426 Base-Backbone interact. energy: 0.706 local terms energy: -546.945397 where: bonds (distance) C4'-P energy: -130.217 bonds (distance) P-C4' energy: -145.593 flat angles C4'-P-C4' energy: -147.387 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -43.479 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: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1080.710901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.710901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.710901 (E_RNA) where: Base-Base interactions energy: -625.004 where: short stacking energy: -293.112 Base-Backbone interact. energy: 3.699 local terms energy: -459.405875 where: bonds (distance) C4'-P energy: -126.532 bonds (distance) P-C4' energy: -146.354 flat angles C4'-P-C4' energy: -114.093 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -827.335495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.335495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.335495 (E_RNA) where: Base-Base interactions energy: -347.204 where: short stacking energy: -224.152 Base-Backbone interact. energy: 3.327 local terms energy: -483.458964 where: bonds (distance) C4'-P energy: -135.339 bonds (distance) P-C4' energy: -155.274 flat angles C4'-P-C4' energy: -126.376 flat angles P-C4'-P energy: -86.577 tors. eta vs tors. theta energy: 20.108 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: 37 Temperature: 0.900000 Total energy: -2600.769206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.769206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.769206 (E_RNA) where: Base-Base interactions energy: -1696.403 where: short stacking energy: -797.050 Base-Backbone interact. energy: -5.358 local terms energy: -899.008004 where: bonds (distance) C4'-P energy: -196.876 bonds (distance) P-C4' energy: -177.721 flat angles C4'-P-C4' energy: -199.459 flat angles P-C4'-P energy: -128.576 tors. eta vs tors. theta energy: -196.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2471.202045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.202045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.202045 (E_RNA) where: Base-Base interactions energy: -1598.739 where: short stacking energy: -779.123 Base-Backbone interact. energy: -2.752 local terms energy: -869.711273 where: bonds (distance) C4'-P energy: -190.762 bonds (distance) P-C4' energy: -177.440 flat angles C4'-P-C4' energy: -201.777 flat angles P-C4'-P energy: -124.696 tors. eta vs tors. theta energy: -175.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2212.348817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.348817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.348817 (E_RNA) where: Base-Base interactions energy: -1380.082 where: short stacking energy: -667.766 Base-Backbone interact. energy: 0.177 local terms energy: -832.443312 where: bonds (distance) C4'-P energy: -173.469 bonds (distance) P-C4' energy: -174.813 flat angles C4'-P-C4' energy: -179.111 flat angles P-C4'-P energy: -136.196 tors. eta vs tors. theta energy: -168.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2212.662150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.662150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.662150 (E_RNA) where: Base-Base interactions energy: -1404.095 where: short stacking energy: -719.928 Base-Backbone interact. energy: 0.983 local terms energy: -809.550274 where: bonds (distance) C4'-P energy: -155.519 bonds (distance) P-C4' energy: -171.841 flat angles C4'-P-C4' energy: -181.436 flat angles P-C4'-P energy: -111.650 tors. eta vs tors. theta energy: -189.103 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: 37 Temperature: 1.100000 Total energy: -1883.664743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.664743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.664743 (E_RNA) where: Base-Base interactions energy: -1173.661 where: short stacking energy: -630.431 Base-Backbone interact. energy: -2.489 local terms energy: -707.515231 where: bonds (distance) C4'-P energy: -129.335 bonds (distance) P-C4' energy: -160.273 flat angles C4'-P-C4' energy: -174.532 flat angles P-C4'-P energy: -112.045 tors. eta vs tors. theta energy: -131.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1550.586437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.586437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.586437 (E_RNA) where: Base-Base interactions energy: -886.919 where: short stacking energy: -483.552 Base-Backbone interact. energy: -1.304 local terms energy: -662.363098 where: bonds (distance) C4'-P energy: -152.638 bonds (distance) P-C4' energy: -176.508 flat angles C4'-P-C4' energy: -161.343 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -72.850 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: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1327.843260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.843260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.843260 (E_RNA) where: Base-Base interactions energy: -677.582 where: short stacking energy: -389.676 Base-Backbone interact. energy: -1.769 local terms energy: -648.492284 where: bonds (distance) C4'-P energy: -157.946 bonds (distance) P-C4' energy: -171.394 flat angles C4'-P-C4' energy: -161.927 flat angles P-C4'-P energy: -95.603 tors. eta vs tors. theta energy: -61.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1312.969156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.969156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.969156 (E_RNA) where: Base-Base interactions energy: -749.303 where: short stacking energy: -403.438 Base-Backbone interact. energy: -6.045 local terms energy: -557.620853 where: bonds (distance) C4'-P energy: -146.397 bonds (distance) P-C4' energy: -147.960 flat angles C4'-P-C4' energy: -128.702 flat angles P-C4'-P energy: -80.977 tors. eta vs tors. theta energy: -53.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1009.340320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.340320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.340320 (E_RNA) where: Base-Base interactions energy: -517.602 where: short stacking energy: -280.949 Base-Backbone interact. energy: -1.819 local terms energy: -489.918648 where: bonds (distance) C4'-P energy: -138.683 bonds (distance) P-C4' energy: -145.388 flat angles C4'-P-C4' energy: -147.227 flat angles P-C4'-P energy: -70.488 tors. eta vs tors. theta energy: 11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -846.388140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.388140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.388140 (E_RNA) where: Base-Base interactions energy: -376.925 where: short stacking energy: -246.928 Base-Backbone interact. energy: 0.270 local terms energy: -469.733280 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -177.571 flat angles C4'-P-C4' energy: -128.375 flat angles P-C4'-P energy: -68.720 tors. eta vs tors. theta energy: 37.357 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: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2630.141555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.141555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.141555 (E_RNA) where: Base-Base interactions energy: -1728.781 where: short stacking energy: -792.711 Base-Backbone interact. energy: -5.858 local terms energy: -895.502847 where: bonds (distance) C4'-P energy: -185.338 bonds (distance) P-C4' energy: -175.908 flat angles C4'-P-C4' energy: -184.038 flat angles P-C4'-P energy: -138.129 tors. eta vs tors. theta energy: -212.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2527.783177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.783177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.783177 (E_RNA) where: Base-Base interactions energy: -1632.615 where: short stacking energy: -795.757 Base-Backbone interact. energy: -6.360 local terms energy: -888.807202 where: bonds (distance) C4'-P energy: -181.348 bonds (distance) P-C4' energy: -187.932 flat angles C4'-P-C4' energy: -200.048 flat angles P-C4'-P energy: -102.977 tors. eta vs tors. theta energy: -216.502 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: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2368.057748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.057748 (E_RNA) where: Base-Base interactions energy: -1514.498 where: short stacking energy: -767.629 Base-Backbone interact. energy: -3.265 local terms energy: -850.294504 where: bonds (distance) C4'-P energy: -159.334 bonds (distance) P-C4' energy: -179.059 flat angles C4'-P-C4' energy: -193.825 flat angles P-C4'-P energy: -118.281 tors. eta vs tors. theta energy: -199.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2141.165683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.165683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.165683 (E_RNA) where: Base-Base interactions energy: -1327.078 where: short stacking energy: -695.875 Base-Backbone interact. energy: 3.074 local terms energy: -817.161811 where: bonds (distance) C4'-P energy: -163.435 bonds (distance) P-C4' energy: -164.480 flat angles C4'-P-C4' energy: -187.568 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -189.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1818.830918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.830918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.830918 (E_RNA) where: Base-Base interactions energy: -1118.888 where: short stacking energy: -560.369 Base-Backbone interact. energy: 1.640 local terms energy: -701.582790 where: bonds (distance) C4'-P energy: -148.335 bonds (distance) P-C4' energy: -166.306 flat angles C4'-P-C4' energy: -159.369 flat angles P-C4'-P energy: -98.778 tors. eta vs tors. theta energy: -128.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1528.250980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.250980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.250980 (E_RNA) where: Base-Base interactions energy: -889.728 where: short stacking energy: -454.823 Base-Backbone interact. energy: 1.258 local terms energy: -639.781577 where: bonds (distance) C4'-P energy: -158.882 bonds (distance) P-C4' energy: -144.552 flat angles C4'-P-C4' energy: -157.728 flat angles P-C4'-P energy: -102.520 tors. eta vs tors. theta energy: -76.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1409.534037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.534037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.534037 (E_RNA) where: Base-Base interactions energy: -813.134 where: short stacking energy: -430.178 Base-Backbone interact. energy: -2.858 local terms energy: -593.541983 where: bonds (distance) C4'-P energy: -147.982 bonds (distance) P-C4' energy: -148.237 flat angles C4'-P-C4' energy: -146.951 flat angles P-C4'-P energy: -86.919 tors. eta vs tors. theta energy: -63.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1314.127369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.127369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.127369 (E_RNA) where: Base-Base interactions energy: -733.730 where: short stacking energy: -384.312 Base-Backbone interact. energy: 4.981 local terms energy: -585.378686 where: bonds (distance) C4'-P energy: -151.251 bonds (distance) P-C4' energy: -155.718 flat angles C4'-P-C4' energy: -148.471 flat angles P-C4'-P energy: -96.778 tors. eta vs tors. theta energy: -33.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1137.529874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.529874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.529874 (E_RNA) where: Base-Base interactions energy: -632.437 where: short stacking energy: -322.803 Base-Backbone interact. energy: -2.250 local terms energy: -502.842554 where: bonds (distance) C4'-P energy: -148.233 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -119.864 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: 4.913 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: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -852.264208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.264208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.264208 (E_RNA) where: Base-Base interactions energy: -398.386 where: short stacking energy: -245.312 Base-Backbone interact. energy: 6.337 local terms energy: -460.215051 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -162.580 flat angles C4'-P-C4' energy: -130.123 flat angles P-C4'-P energy: -81.677 tors. eta vs tors. theta energy: 35.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2658.056331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.056331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.056331 (E_RNA) where: Base-Base interactions energy: -1734.209 where: short stacking energy: -782.300 Base-Backbone interact. energy: -7.411 local terms energy: -916.436430 where: bonds (distance) C4'-P energy: -169.111 bonds (distance) P-C4' energy: -185.498 flat angles C4'-P-C4' energy: -209.768 flat angles P-C4'-P energy: -141.756 tors. eta vs tors. theta energy: -210.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2547.771394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.771394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.771394 (E_RNA) where: Base-Base interactions energy: -1661.847 where: short stacking energy: -803.168 Base-Backbone interact. energy: -4.265 local terms energy: -881.659407 where: bonds (distance) C4'-P energy: -163.343 bonds (distance) P-C4' energy: -181.706 flat angles C4'-P-C4' energy: -202.274 flat angles P-C4'-P energy: -126.410 tors. eta vs tors. theta energy: -207.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2325.769860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.769860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.769860 (E_RNA) where: Base-Base interactions energy: -1467.001 where: short stacking energy: -729.485 Base-Backbone interact. energy: -3.648 local terms energy: -855.121243 where: bonds (distance) C4'-P energy: -177.275 bonds (distance) P-C4' energy: -189.170 flat angles C4'-P-C4' energy: -181.520 flat angles P-C4'-P energy: -118.186 tors. eta vs tors. theta energy: -188.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2066.518582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.518582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.518582 (E_RNA) where: Base-Base interactions energy: -1290.132 where: short stacking energy: -641.412 Base-Backbone interact. energy: -1.186 local terms energy: -775.200396 where: bonds (distance) C4'-P energy: -171.802 bonds (distance) P-C4' energy: -167.478 flat angles C4'-P-C4' energy: -179.862 flat angles P-C4'-P energy: -99.870 tors. eta vs tors. theta energy: -156.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1883.973167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.973167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.973167 (E_RNA) where: Base-Base interactions energy: -1149.259 where: short stacking energy: -583.337 Base-Backbone interact. energy: 2.084 local terms energy: -736.798085 where: bonds (distance) C4'-P energy: -178.872 bonds (distance) P-C4' energy: -168.958 flat angles C4'-P-C4' energy: -165.199 flat angles P-C4'-P energy: -104.856 tors. eta vs tors. theta energy: -118.914 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: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1613.303891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.303891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.303891 (E_RNA) where: Base-Base interactions energy: -956.034 where: short stacking energy: -468.063 Base-Backbone interact. energy: -3.301 local terms energy: -653.969774 where: bonds (distance) C4'-P energy: -175.186 bonds (distance) P-C4' energy: -159.509 flat angles C4'-P-C4' energy: -150.447 flat angles P-C4'-P energy: -94.455 tors. eta vs tors. theta energy: -74.373 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: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1323.096723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.096723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.096723 (E_RNA) where: Base-Base interactions energy: -716.444 where: short stacking energy: -422.519 Base-Backbone interact. energy: -3.183 local terms energy: -603.469755 where: bonds (distance) C4'-P energy: -136.052 bonds (distance) P-C4' energy: -165.961 flat angles C4'-P-C4' energy: -150.111 flat angles P-C4'-P energy: -95.806 tors. eta vs tors. theta energy: -55.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1295.075968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.075968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.075968 (E_RNA) where: Base-Base interactions energy: -743.178 where: short stacking energy: -368.551 Base-Backbone interact. energy: -0.172 local terms energy: -551.726216 where: bonds (distance) C4'-P energy: -147.716 bonds (distance) P-C4' energy: -155.952 flat angles C4'-P-C4' energy: -140.537 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -26.152 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: 39 Temperature: 1.300000 Total energy: -1158.545070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.545070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.545070 (E_RNA) where: Base-Base interactions energy: -647.522 where: short stacking energy: -361.910 Base-Backbone interact. energy: 2.018 local terms energy: -513.041260 where: bonds (distance) C4'-P energy: -144.557 bonds (distance) P-C4' energy: -165.544 flat angles C4'-P-C4' energy: -115.426 flat angles P-C4'-P energy: -62.359 tors. eta vs tors. theta energy: -25.155 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: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -880.274661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.274661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.274661 (E_RNA) where: Base-Base interactions energy: -406.229 where: short stacking energy: -232.648 Base-Backbone interact. energy: 3.050 local terms energy: -477.095146 where: bonds (distance) C4'-P energy: -148.416 bonds (distance) P-C4' energy: -161.775 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -62.045 tors. eta vs tors. theta energy: 31.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2734.859028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.859028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.859028 (E_RNA) where: Base-Base interactions energy: -1810.064 where: short stacking energy: -816.536 Base-Backbone interact. energy: -7.353 local terms energy: -917.441505 where: bonds (distance) C4'-P energy: -164.132 bonds (distance) P-C4' energy: -202.984 flat angles C4'-P-C4' energy: -194.151 flat angles P-C4'-P energy: -137.279 tors. eta vs tors. theta energy: -218.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2581.648785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.648785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.648785 (E_RNA) where: Base-Base interactions energy: -1662.808 where: short stacking energy: -804.657 Base-Backbone interact. energy: -1.081 local terms energy: -917.760205 where: bonds (distance) C4'-P energy: -174.991 bonds (distance) P-C4' energy: -194.807 flat angles C4'-P-C4' energy: -192.993 flat angles P-C4'-P energy: -139.620 tors. eta vs tors. theta energy: -215.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2292.835524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.835524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.835524 (E_RNA) where: Base-Base interactions energy: -1462.887 where: short stacking energy: -748.937 Base-Backbone interact. energy: -6.656 local terms energy: -823.292875 where: bonds (distance) C4'-P energy: -181.295 bonds (distance) P-C4' energy: -166.632 flat angles C4'-P-C4' energy: -179.461 flat angles P-C4'-P energy: -108.936 tors. eta vs tors. theta energy: -186.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2058.564115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.564115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.564115 (E_RNA) where: Base-Base interactions energy: -1305.718 where: short stacking energy: -615.585 Base-Backbone interact. energy: -3.423 local terms energy: -749.422490 where: bonds (distance) C4'-P energy: -158.392 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -174.666 flat angles P-C4'-P energy: -117.153 tors. eta vs tors. theta energy: -155.374 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: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1935.082316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.082316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.082316 (E_RNA) where: Base-Base interactions energy: -1195.075 where: short stacking energy: -588.824 Base-Backbone interact. energy: -0.359 local terms energy: -739.648528 where: bonds (distance) C4'-P energy: -158.673 bonds (distance) P-C4' energy: -173.180 flat angles C4'-P-C4' energy: -168.702 flat angles P-C4'-P energy: -121.341 tors. eta vs tors. theta energy: -117.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1768.102647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.102647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.102647 (E_RNA) where: Base-Base interactions energy: -1065.313 where: short stacking energy: -510.307 Base-Backbone interact. energy: -3.897 local terms energy: -698.893001 where: bonds (distance) C4'-P energy: -161.705 bonds (distance) P-C4' energy: -148.093 flat angles C4'-P-C4' energy: -176.997 flat angles P-C4'-P energy: -96.963 tors. eta vs tors. theta energy: -115.135 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: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1374.691201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.691201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.691201 (E_RNA) where: Base-Base interactions energy: -795.142 where: short stacking energy: -442.363 Base-Backbone interact. energy: -4.050 local terms energy: -575.499321 where: bonds (distance) C4'-P energy: -142.916 bonds (distance) P-C4' energy: -155.711 flat angles C4'-P-C4' energy: -143.324 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -51.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1217.769177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.769177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.769177 (E_RNA) where: Base-Base interactions energy: -656.071 where: short stacking energy: -365.167 Base-Backbone interact. energy: 0.068 local terms energy: -561.766790 where: bonds (distance) C4'-P energy: -139.910 bonds (distance) P-C4' energy: -138.039 flat angles C4'-P-C4' energy: -145.541 flat angles P-C4'-P energy: -81.856 tors. eta vs tors. theta energy: -56.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1122.059818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.059818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.059818 (E_RNA) where: Base-Base interactions energy: -631.747 where: short stacking energy: -354.708 Base-Backbone interact. energy: -1.047 local terms energy: -489.266144 where: bonds (distance) C4'-P energy: -113.991 bonds (distance) P-C4' energy: -149.746 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -79.474 tors. eta vs tors. theta energy: -18.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -886.888615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.888615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.888615 (E_RNA) where: Base-Base interactions energy: -416.962 where: short stacking energy: -268.287 Base-Backbone interact. energy: 0.408 local terms energy: -470.334680 where: bonds (distance) C4'-P energy: -132.598 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -145.887 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: 12.283 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: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2725.723873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.723873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.723873 (E_RNA) where: Base-Base interactions energy: -1804.074 where: short stacking energy: -799.492 Base-Backbone interact. energy: -1.887 local terms energy: -919.763701 where: bonds (distance) C4'-P energy: -179.683 bonds (distance) P-C4' energy: -175.113 flat angles C4'-P-C4' energy: -209.612 flat angles P-C4'-P energy: -148.829 tors. eta vs tors. theta energy: -206.528 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: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2569.738933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.738933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.738933 (E_RNA) where: Base-Base interactions energy: -1645.139 where: short stacking energy: -808.978 Base-Backbone interact. energy: -2.646 local terms energy: -921.953741 where: bonds (distance) C4'-P energy: -179.667 bonds (distance) P-C4' energy: -196.739 flat angles C4'-P-C4' energy: -200.251 flat angles P-C4'-P energy: -126.829 tors. eta vs tors. theta energy: -218.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2334.843129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.843129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.843129 (E_RNA) where: Base-Base interactions energy: -1485.765 where: short stacking energy: -732.405 Base-Backbone interact. energy: 1.704 local terms energy: -850.781967 where: bonds (distance) C4'-P energy: -161.445 bonds (distance) P-C4' energy: -182.898 flat angles C4'-P-C4' energy: -180.633 flat angles P-C4'-P energy: -131.664 tors. eta vs tors. theta energy: -194.142 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: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2086.331329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.331329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.331329 (E_RNA) where: Base-Base interactions energy: -1263.947 where: short stacking energy: -652.972 Base-Backbone interact. energy: -0.136 local terms energy: -822.248481 where: bonds (distance) C4'-P energy: -177.052 bonds (distance) P-C4' energy: -172.304 flat angles C4'-P-C4' energy: -173.853 flat angles P-C4'-P energy: -125.213 tors. eta vs tors. theta energy: -173.827 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: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1992.112018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.112018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.112018 (E_RNA) where: Base-Base interactions energy: -1278.083 where: short stacking energy: -619.951 Base-Backbone interact. energy: -0.790 local terms energy: -713.238176 where: bonds (distance) C4'-P energy: -164.052 bonds (distance) P-C4' energy: -141.271 flat angles C4'-P-C4' energy: -168.807 flat angles P-C4'-P energy: -106.143 tors. eta vs tors. theta energy: -132.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1712.233308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.233308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.233308 (E_RNA) where: Base-Base interactions energy: -1048.476 where: short stacking energy: -522.111 Base-Backbone interact. energy: 2.504 local terms energy: -666.260692 where: bonds (distance) C4'-P energy: -168.366 bonds (distance) P-C4' energy: -161.219 flat angles C4'-P-C4' energy: -149.354 flat angles P-C4'-P energy: -99.802 tors. eta vs tors. theta energy: -87.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1323.632256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.632256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.632256 (E_RNA) where: Base-Base interactions energy: -760.135 where: short stacking energy: -426.722 Base-Backbone interact. energy: 9.687 local terms energy: -573.184368 where: bonds (distance) C4'-P energy: -146.058 bonds (distance) P-C4' energy: -148.451 flat angles C4'-P-C4' energy: -148.086 flat angles P-C4'-P energy: -87.964 tors. eta vs tors. theta energy: -42.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1240.128176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.128176 (E_RNA) where: Base-Base interactions energy: -643.817 where: short stacking energy: -370.839 Base-Backbone interact. energy: 10.693 local terms energy: -607.004356 where: bonds (distance) C4'-P energy: -164.057 bonds (distance) P-C4' energy: -152.701 flat angles C4'-P-C4' energy: -147.347 flat angles P-C4'-P energy: -86.410 tors. eta vs tors. theta energy: -56.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1172.255885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.255885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.255885 (E_RNA) where: Base-Base interactions energy: -649.503 where: short stacking energy: -376.876 Base-Backbone interact. energy: -4.582 local terms energy: -518.170397 where: bonds (distance) C4'-P energy: -141.618 bonds (distance) P-C4' energy: -156.327 flat angles C4'-P-C4' energy: -136.285 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -31.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -912.184308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.184308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.184308 (E_RNA) where: Base-Base interactions energy: -446.356 where: short stacking energy: -296.544 Base-Backbone interact. energy: 5.173 local terms energy: -471.001106 where: bonds (distance) C4'-P energy: -131.640 bonds (distance) P-C4' energy: -153.376 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: 7.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2690.491071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.491071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.491071 (E_RNA) where: Base-Base interactions energy: -1785.577 where: short stacking energy: -807.439 Base-Backbone interact. energy: -7.357 local terms energy: -897.556785 where: bonds (distance) C4'-P energy: -167.373 bonds (distance) P-C4' energy: -181.394 flat angles C4'-P-C4' energy: -203.629 flat angles P-C4'-P energy: -136.056 tors. eta vs tors. theta energy: -209.105 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: 42 Temperature: 0.950000 Total energy: -2547.180184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.180184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.180184 (E_RNA) where: Base-Base interactions energy: -1686.928 where: short stacking energy: -778.470 Base-Backbone interact. energy: -3.503 local terms energy: -856.748757 where: bonds (distance) C4'-P energy: -172.269 bonds (distance) P-C4' energy: -166.720 flat angles C4'-P-C4' energy: -191.305 flat angles P-C4'-P energy: -118.614 tors. eta vs tors. theta energy: -207.841 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: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2341.162934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.162934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.162934 (E_RNA) where: Base-Base interactions energy: -1515.705 where: short stacking energy: -757.708 Base-Backbone interact. energy: -2.935 local terms energy: -822.522525 where: bonds (distance) C4'-P energy: -147.245 bonds (distance) P-C4' energy: -169.183 flat angles C4'-P-C4' energy: -184.802 flat angles P-C4'-P energy: -123.829 tors. eta vs tors. theta energy: -197.463 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: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2067.858531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.858531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.858531 (E_RNA) where: Base-Base interactions energy: -1291.050 where: short stacking energy: -642.755 Base-Backbone interact. energy: 0.954 local terms energy: -777.762967 where: bonds (distance) C4'-P energy: -160.476 bonds (distance) P-C4' energy: -168.804 flat angles C4'-P-C4' energy: -189.136 flat angles P-C4'-P energy: -103.049 tors. eta vs tors. theta energy: -156.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1993.590325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.590325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.590325 (E_RNA) where: Base-Base interactions energy: -1244.214 where: short stacking energy: -614.923 Base-Backbone interact. energy: -1.050 local terms energy: -748.325999 where: bonds (distance) C4'-P energy: -153.360 bonds (distance) P-C4' energy: -169.583 flat angles C4'-P-C4' energy: -155.624 flat angles P-C4'-P energy: -115.276 tors. eta vs tors. theta energy: -154.483 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: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1585.011629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.011629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.011629 (E_RNA) where: Base-Base interactions energy: -949.462 where: short stacking energy: -506.372 Base-Backbone interact. energy: 1.287 local terms energy: -636.836183 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -154.204 flat angles C4'-P-C4' energy: -163.214 flat angles P-C4'-P energy: -91.882 tors. eta vs tors. theta energy: -72.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1295.891286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.891286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.891286 (E_RNA) where: Base-Base interactions energy: -697.970 where: short stacking energy: -401.406 Base-Backbone interact. energy: -1.038 local terms energy: -596.883137 where: bonds (distance) C4'-P energy: -126.587 bonds (distance) P-C4' energy: -176.827 flat angles C4'-P-C4' energy: -165.880 flat angles P-C4'-P energy: -88.885 tors. eta vs tors. theta energy: -38.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1284.930111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.930111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.930111 (E_RNA) where: Base-Base interactions energy: -710.163 where: short stacking energy: -396.221 Base-Backbone interact. energy: 1.673 local terms energy: -576.439979 where: bonds (distance) C4'-P energy: -166.072 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -146.685 flat angles P-C4'-P energy: -90.273 tors. eta vs tors. theta energy: -34.872 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: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1207.803572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.803572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.803572 (E_RNA) where: Base-Base interactions energy: -664.268 where: short stacking energy: -363.502 Base-Backbone interact. energy: 9.026 local terms energy: -552.561274 where: bonds (distance) C4'-P energy: -165.536 bonds (distance) P-C4' energy: -150.492 flat angles C4'-P-C4' energy: -144.203 flat angles P-C4'-P energy: -73.940 tors. eta vs tors. theta energy: -18.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -915.233734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.233734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.233734 (E_RNA) where: Base-Base interactions energy: -408.137 where: short stacking energy: -272.643 Base-Backbone interact. energy: -2.159 local terms energy: -504.938249 where: bonds (distance) C4'-P energy: -128.298 bonds (distance) P-C4' energy: -170.822 flat angles C4'-P-C4' energy: -126.455 flat angles P-C4'-P energy: -77.706 tors. eta vs tors. theta energy: -1.657 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: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2686.748349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.748349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.748349 (E_RNA) where: Base-Base interactions energy: -1801.272 where: short stacking energy: -792.665 Base-Backbone interact. energy: -3.840 local terms energy: -881.635793 where: bonds (distance) C4'-P energy: -181.710 bonds (distance) P-C4' energy: -192.156 flat angles C4'-P-C4' energy: -185.425 flat angles P-C4'-P energy: -111.623 tors. eta vs tors. theta energy: -210.722 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: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2582.142638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.142638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.142638 (E_RNA) where: Base-Base interactions energy: -1702.688 where: short stacking energy: -775.779 Base-Backbone interact. energy: -0.999 local terms energy: -878.455927 where: bonds (distance) C4'-P energy: -172.086 bonds (distance) P-C4' energy: -189.897 flat angles C4'-P-C4' energy: -192.963 flat angles P-C4'-P energy: -125.805 tors. eta vs tors. theta energy: -197.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2344.474804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.474804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.474804 (E_RNA) where: Base-Base interactions energy: -1504.270 where: short stacking energy: -748.336 Base-Backbone interact. energy: -4.675 local terms energy: -835.529729 where: bonds (distance) C4'-P energy: -166.956 bonds (distance) P-C4' energy: -161.242 flat angles C4'-P-C4' energy: -195.269 flat angles P-C4'-P energy: -115.875 tors. eta vs tors. theta energy: -196.187 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: 43 Temperature: 1.050000 Total energy: -2102.296007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.296007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.296007 (E_RNA) where: Base-Base interactions energy: -1300.103 where: short stacking energy: -668.000 Base-Backbone interact. energy: -1.652 local terms energy: -800.541208 where: bonds (distance) C4'-P energy: -173.575 bonds (distance) P-C4' energy: -163.562 flat angles C4'-P-C4' energy: -194.120 flat angles P-C4'-P energy: -107.148 tors. eta vs tors. theta energy: -162.135 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: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1950.989152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.989152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.989152 (E_RNA) where: Base-Base interactions energy: -1193.062 where: short stacking energy: -584.901 Base-Backbone interact. energy: -1.728 local terms energy: -756.198914 where: bonds (distance) C4'-P energy: -157.356 bonds (distance) P-C4' energy: -186.136 flat angles C4'-P-C4' energy: -172.245 flat angles P-C4'-P energy: -105.599 tors. eta vs tors. theta energy: -134.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1591.396647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.396647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.396647 (E_RNA) where: Base-Base interactions energy: -956.394 where: short stacking energy: -468.051 Base-Backbone interact. energy: -0.522 local terms energy: -634.480976 where: bonds (distance) C4'-P energy: -149.460 bonds (distance) P-C4' energy: -176.818 flat angles C4'-P-C4' energy: -165.057 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -54.432 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: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1346.941316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.941316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.941316 (E_RNA) where: Base-Base interactions energy: -768.765 where: short stacking energy: -423.201 Base-Backbone interact. energy: 0.309 local terms energy: -578.485398 where: bonds (distance) C4'-P energy: -163.306 bonds (distance) P-C4' energy: -145.625 flat angles C4'-P-C4' energy: -134.569 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -42.810 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: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1350.561501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.561501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.561501 (E_RNA) where: Base-Base interactions energy: -765.948 where: short stacking energy: -407.207 Base-Backbone interact. energy: -2.032 local terms energy: -582.581535 where: bonds (distance) C4'-P energy: -146.288 bonds (distance) P-C4' energy: -158.160 flat angles C4'-P-C4' energy: -141.242 flat angles P-C4'-P energy: -78.099 tors. eta vs tors. theta energy: -58.791 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: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1137.147092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.147092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.147092 (E_RNA) where: Base-Base interactions energy: -592.898 where: short stacking energy: -321.392 Base-Backbone interact. energy: 2.386 local terms energy: -546.635021 where: bonds (distance) C4'-P energy: -146.501 bonds (distance) P-C4' energy: -138.851 flat angles C4'-P-C4' energy: -142.585 flat angles P-C4'-P energy: -88.159 tors. eta vs tors. theta energy: -30.538 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: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -877.789530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.789530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.789530 (E_RNA) where: Base-Base interactions energy: -393.837 where: short stacking energy: -251.844 Base-Backbone interact. energy: 3.510 local terms energy: -487.462557 where: bonds (distance) C4'-P energy: -165.279 bonds (distance) P-C4' energy: -141.789 flat angles C4'-P-C4' energy: -115.477 flat angles P-C4'-P energy: -72.669 tors. eta vs tors. theta energy: 7.751 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: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2708.624535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.624535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.624535 (E_RNA) where: Base-Base interactions energy: -1797.795 where: short stacking energy: -820.781 Base-Backbone interact. energy: -4.154 local terms energy: -906.676036 where: bonds (distance) C4'-P energy: -183.443 bonds (distance) P-C4' energy: -181.825 flat angles C4'-P-C4' energy: -192.879 flat angles P-C4'-P energy: -131.958 tors. eta vs tors. theta energy: -216.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2614.593166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.593166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.593166 (E_RNA) where: Base-Base interactions energy: -1691.264 where: short stacking energy: -754.746 Base-Backbone interact. energy: -7.501 local terms energy: -915.828140 where: bonds (distance) C4'-P energy: -179.364 bonds (distance) P-C4' energy: -197.030 flat angles C4'-P-C4' energy: -210.268 flat angles P-C4'-P energy: -131.749 tors. eta vs tors. theta energy: -197.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2328.753872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.753872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.753872 (E_RNA) where: Base-Base interactions energy: -1465.443 where: short stacking energy: -739.856 Base-Backbone interact. energy: -0.726 local terms energy: -862.585103 where: bonds (distance) C4'-P energy: -176.077 bonds (distance) P-C4' energy: -170.665 flat angles C4'-P-C4' energy: -203.842 flat angles P-C4'-P energy: -105.093 tors. eta vs tors. theta energy: -206.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2095.712886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.712886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.712886 (E_RNA) where: Base-Base interactions energy: -1304.523 where: short stacking energy: -631.692 Base-Backbone interact. energy: -2.868 local terms energy: -788.322493 where: bonds (distance) C4'-P energy: -177.364 bonds (distance) P-C4' energy: -173.822 flat angles C4'-P-C4' energy: -182.078 flat angles P-C4'-P energy: -108.926 tors. eta vs tors. theta energy: -146.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1930.014625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.014625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.014625 (E_RNA) where: Base-Base interactions energy: -1213.574 where: short stacking energy: -643.692 Base-Backbone interact. energy: -1.098 local terms energy: -715.343117 where: bonds (distance) C4'-P energy: -133.831 bonds (distance) P-C4' energy: -166.835 flat angles C4'-P-C4' energy: -151.747 flat angles P-C4'-P energy: -118.128 tors. eta vs tors. theta energy: -144.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1648.229042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.229042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.229042 (E_RNA) where: Base-Base interactions energy: -991.358 where: short stacking energy: -506.114 Base-Backbone interact. energy: -2.113 local terms energy: -654.758493 where: bonds (distance) C4'-P energy: -156.375 bonds (distance) P-C4' energy: -164.948 flat angles C4'-P-C4' energy: -160.446 flat angles P-C4'-P energy: -91.013 tors. eta vs tors. theta energy: -81.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1378.109988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.109988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.109988 (E_RNA) where: Base-Base interactions energy: -758.242 where: short stacking energy: -411.947 Base-Backbone interact. energy: -1.466 local terms energy: -618.402227 where: bonds (distance) C4'-P energy: -161.826 bonds (distance) P-C4' energy: -163.699 flat angles C4'-P-C4' energy: -139.543 flat angles P-C4'-P energy: -90.015 tors. eta vs tors. theta energy: -63.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1330.282417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.282417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.282417 (E_RNA) where: Base-Base interactions energy: -759.787 where: short stacking energy: -413.735 Base-Backbone interact. energy: 3.644 local terms energy: -574.139217 where: bonds (distance) C4'-P energy: -141.362 bonds (distance) P-C4' energy: -143.498 flat angles C4'-P-C4' energy: -157.203 flat angles P-C4'-P energy: -66.029 tors. eta vs tors. theta energy: -66.047 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: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1103.733098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.733098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.733098 (E_RNA) where: Base-Base interactions energy: -610.659 where: short stacking energy: -309.944 Base-Backbone interact. energy: 2.604 local terms energy: -495.677408 where: bonds (distance) C4'-P energy: -117.047 bonds (distance) P-C4' energy: -139.345 flat angles C4'-P-C4' energy: -141.431 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: -23.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -877.996727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.996727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.996727 (E_RNA) where: Base-Base interactions energy: -390.797 where: short stacking energy: -237.521 Base-Backbone interact. energy: 3.453 local terms energy: -490.653473 where: bonds (distance) C4'-P energy: -144.530 bonds (distance) P-C4' energy: -179.886 flat angles C4'-P-C4' energy: -129.420 flat angles P-C4'-P energy: -57.070 tors. eta vs tors. theta energy: 20.253 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: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2736.996290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.996290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.996290 (E_RNA) where: Base-Base interactions energy: -1823.492 where: short stacking energy: -804.311 Base-Backbone interact. energy: -1.031 local terms energy: -912.473044 where: bonds (distance) C4'-P energy: -176.334 bonds (distance) P-C4' energy: -185.079 flat angles C4'-P-C4' energy: -200.126 flat angles P-C4'-P energy: -140.309 tors. eta vs tors. theta energy: -210.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2587.887703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.887703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.887703 (E_RNA) where: Base-Base interactions energy: -1695.930 where: short stacking energy: -771.194 Base-Backbone interact. energy: -7.497 local terms energy: -884.460313 where: bonds (distance) C4'-P energy: -174.630 bonds (distance) P-C4' energy: -185.663 flat angles C4'-P-C4' energy: -198.741 flat angles P-C4'-P energy: -121.749 tors. eta vs tors. theta energy: -203.677 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: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2438.068548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.068548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.068548 (E_RNA) where: Base-Base interactions energy: -1573.959 where: short stacking energy: -787.406 Base-Backbone interact. energy: 1.781 local terms energy: -865.890010 where: bonds (distance) C4'-P energy: -156.908 bonds (distance) P-C4' energy: -165.110 flat angles C4'-P-C4' energy: -189.958 flat angles P-C4'-P energy: -120.370 tors. eta vs tors. theta energy: -233.544 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: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2176.122255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.122255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.122255 (E_RNA) where: Base-Base interactions energy: -1388.563 where: short stacking energy: -669.951 Base-Backbone interact. energy: -4.850 local terms energy: -782.709797 where: bonds (distance) C4'-P energy: -144.030 bonds (distance) P-C4' energy: -167.960 flat angles C4'-P-C4' energy: -197.319 flat angles P-C4'-P energy: -117.089 tors. eta vs tors. theta energy: -156.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1943.957270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.957270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.957270 (E_RNA) where: Base-Base interactions energy: -1192.087 where: short stacking energy: -581.934 Base-Backbone interact. energy: -1.547 local terms energy: -750.323581 where: bonds (distance) C4'-P energy: -171.572 bonds (distance) P-C4' energy: -169.681 flat angles C4'-P-C4' energy: -188.260 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -114.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1646.990813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.990813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.990813 (E_RNA) where: Base-Base interactions energy: -983.454 where: short stacking energy: -519.109 Base-Backbone interact. energy: -1.413 local terms energy: -662.123313 where: bonds (distance) C4'-P energy: -157.843 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -170.381 flat angles P-C4'-P energy: -106.394 tors. eta vs tors. theta energy: -82.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1469.187665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.187665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.187665 (E_RNA) where: Base-Base interactions energy: -849.076 where: short stacking energy: -458.687 Base-Backbone interact. energy: 2.839 local terms energy: -622.951401 where: bonds (distance) C4'-P energy: -150.054 bonds (distance) P-C4' energy: -143.865 flat angles C4'-P-C4' energy: -157.714 flat angles P-C4'-P energy: -105.042 tors. eta vs tors. theta energy: -66.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1318.267449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.267449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.267449 (E_RNA) where: Base-Base interactions energy: -738.428 where: short stacking energy: -411.035 Base-Backbone interact. energy: -1.794 local terms energy: -578.045625 where: bonds (distance) C4'-P energy: -141.663 bonds (distance) P-C4' energy: -157.797 flat angles C4'-P-C4' energy: -164.987 flat angles P-C4'-P energy: -78.008 tors. eta vs tors. theta energy: -35.590 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: 45 Temperature: 1.300000 Total energy: -1075.061615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.061615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.061615 (E_RNA) where: Base-Base interactions energy: -543.367 where: short stacking energy: -303.338 Base-Backbone interact. energy: -0.868 local terms energy: -530.826586 where: bonds (distance) C4'-P energy: -151.693 bonds (distance) P-C4' energy: -145.587 flat angles C4'-P-C4' energy: -153.097 flat angles P-C4'-P energy: -69.354 tors. eta vs tors. theta energy: -11.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -916.199073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.199073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.199073 (E_RNA) where: Base-Base interactions energy: -403.319 where: short stacking energy: -265.753 Base-Backbone interact. energy: -1.864 local terms energy: -511.015659 where: bonds (distance) C4'-P energy: -146.837 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -136.418 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2728.494080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.494080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.494080 (E_RNA) where: Base-Base interactions energy: -1806.309 where: short stacking energy: -806.159 Base-Backbone interact. energy: -8.169 local terms energy: -914.015523 where: bonds (distance) C4'-P energy: -193.120 bonds (distance) P-C4' energy: -191.171 flat angles C4'-P-C4' energy: -194.914 flat angles P-C4'-P energy: -136.112 tors. eta vs tors. theta energy: -198.699 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: 46 Temperature: 0.950000 Total energy: -2656.757554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.757554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.757554 (E_RNA) where: Base-Base interactions energy: -1766.748 where: short stacking energy: -858.988 Base-Backbone interact. energy: -5.522 local terms energy: -884.487824 where: bonds (distance) C4'-P energy: -169.062 bonds (distance) P-C4' energy: -182.387 flat angles C4'-P-C4' energy: -200.357 flat angles P-C4'-P energy: -114.342 tors. eta vs tors. theta energy: -218.340 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: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2459.753530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.753530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.753530 (E_RNA) where: Base-Base interactions energy: -1585.765 where: short stacking energy: -780.274 Base-Backbone interact. energy: 2.093 local terms energy: -876.081047 where: bonds (distance) C4'-P energy: -171.770 bonds (distance) P-C4' energy: -185.507 flat angles C4'-P-C4' energy: -181.915 flat angles P-C4'-P energy: -112.810 tors. eta vs tors. theta energy: -224.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2196.412110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.412110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.412110 (E_RNA) where: Base-Base interactions energy: -1406.638 where: short stacking energy: -661.649 Base-Backbone interact. energy: -2.214 local terms energy: -787.559299 where: bonds (distance) C4'-P energy: -164.204 bonds (distance) P-C4' energy: -180.883 flat angles C4'-P-C4' energy: -179.606 flat angles P-C4'-P energy: -103.925 tors. eta vs tors. theta energy: -158.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1945.819431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.819431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.819431 (E_RNA) where: Base-Base interactions energy: -1174.305 where: short stacking energy: -611.923 Base-Backbone interact. energy: 1.319 local terms energy: -772.833816 where: bonds (distance) C4'-P energy: -171.651 bonds (distance) P-C4' energy: -171.177 flat angles C4'-P-C4' energy: -168.291 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -148.650 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: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1671.646924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.646924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.646924 (E_RNA) where: Base-Base interactions energy: -984.187 where: short stacking energy: -519.128 Base-Backbone interact. energy: -0.851 local terms energy: -686.608549 where: bonds (distance) C4'-P energy: -166.329 bonds (distance) P-C4' energy: -177.921 flat angles C4'-P-C4' energy: -162.209 flat angles P-C4'-P energy: -97.094 tors. eta vs tors. theta energy: -83.056 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: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1559.769145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.769145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.769145 (E_RNA) where: Base-Base interactions energy: -900.483 where: short stacking energy: -490.536 Base-Backbone interact. energy: -2.135 local terms energy: -657.151005 where: bonds (distance) C4'-P energy: -149.521 bonds (distance) P-C4' energy: -172.832 flat angles C4'-P-C4' energy: -142.481 flat angles P-C4'-P energy: -104.823 tors. eta vs tors. theta energy: -87.494 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: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1338.084616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.084616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.084616 (E_RNA) where: Base-Base interactions energy: -801.648 where: short stacking energy: -412.456 Base-Backbone interact. energy: -1.043 local terms energy: -535.394306 where: bonds (distance) C4'-P energy: -152.788 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -131.673 flat angles P-C4'-P energy: -73.969 tors. eta vs tors. theta energy: -40.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1052.618439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.618439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.618439 (E_RNA) where: Base-Base interactions energy: -499.397 where: short stacking energy: -308.543 Base-Backbone interact. energy: -3.418 local terms energy: -549.802924 where: bonds (distance) C4'-P energy: -148.614 bonds (distance) P-C4' energy: -150.656 flat angles C4'-P-C4' energy: -136.310 flat angles P-C4'-P energy: -86.685 tors. eta vs tors. theta energy: -27.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -897.346287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.346287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.346287 (E_RNA) where: Base-Base interactions energy: -410.460 where: short stacking energy: -239.735 Base-Backbone interact. energy: -1.659 local terms energy: -485.227704 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -173.177 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -63.022 tors. eta vs tors. theta energy: 24.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2763.913961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.913961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.913961 (E_RNA) where: Base-Base interactions energy: -1835.920 where: short stacking energy: -818.526 Base-Backbone interact. energy: -5.238 local terms energy: -922.755811 where: bonds (distance) C4'-P energy: -179.602 bonds (distance) P-C4' energy: -196.249 flat angles C4'-P-C4' energy: -212.113 flat angles P-C4'-P energy: -124.114 tors. eta vs tors. theta energy: -210.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2617.536513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.536513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.536513 (E_RNA) where: Base-Base interactions energy: -1755.027 where: short stacking energy: -788.275 Base-Backbone interact. energy: -3.896 local terms energy: -858.613662 where: bonds (distance) C4'-P energy: -171.891 bonds (distance) P-C4' energy: -176.537 flat angles C4'-P-C4' energy: -193.619 flat angles P-C4'-P energy: -130.124 tors. eta vs tors. theta energy: -186.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2407.400907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.400907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.400907 (E_RNA) where: Base-Base interactions energy: -1544.979 where: short stacking energy: -764.897 Base-Backbone interact. energy: -0.464 local terms energy: -861.957756 where: bonds (distance) C4'-P energy: -159.792 bonds (distance) P-C4' energy: -171.829 flat angles C4'-P-C4' energy: -182.295 flat angles P-C4'-P energy: -130.396 tors. eta vs tors. theta energy: -217.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2182.482516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.482516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.482516 (E_RNA) where: Base-Base interactions energy: -1410.964 where: short stacking energy: -699.141 Base-Backbone interact. energy: -3.710 local terms energy: -767.808490 where: bonds (distance) C4'-P energy: -153.812 bonds (distance) P-C4' energy: -171.784 flat angles C4'-P-C4' energy: -179.701 flat angles P-C4'-P energy: -102.628 tors. eta vs tors. theta energy: -159.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1904.710108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.710108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.710108 (E_RNA) where: Base-Base interactions energy: -1167.146 where: short stacking energy: -614.149 Base-Backbone interact. energy: 1.656 local terms energy: -739.220855 where: bonds (distance) C4'-P energy: -163.752 bonds (distance) P-C4' energy: -161.988 flat angles C4'-P-C4' energy: -157.352 flat angles P-C4'-P energy: -114.235 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: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1616.141957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.141957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.141957 (E_RNA) where: Base-Base interactions energy: -947.558 where: short stacking energy: -497.569 Base-Backbone interact. energy: -7.796 local terms energy: -660.787915 where: bonds (distance) C4'-P energy: -158.224 bonds (distance) P-C4' energy: -162.774 flat angles C4'-P-C4' energy: -150.031 flat angles P-C4'-P energy: -93.823 tors. eta vs tors. theta energy: -95.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1539.898359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.898359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.898359 (E_RNA) where: Base-Base interactions energy: -897.157 where: short stacking energy: -469.992 Base-Backbone interact. energy: 3.069 local terms energy: -645.810368 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -155.804 flat angles C4'-P-C4' energy: -179.851 flat angles P-C4'-P energy: -96.622 tors. eta vs tors. theta energy: -71.359 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: 47 Temperature: 1.250000 Total energy: -1340.878460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.878460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.878460 (E_RNA) where: Base-Base interactions energy: -752.817 where: short stacking energy: -383.584 Base-Backbone interact. energy: -3.690 local terms energy: -584.371481 where: bonds (distance) C4'-P energy: -153.438 bonds (distance) P-C4' energy: -168.342 flat angles C4'-P-C4' energy: -138.912 flat angles P-C4'-P energy: -78.181 tors. eta vs tors. theta energy: -45.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1123.517785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.517785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.517785 (E_RNA) where: Base-Base interactions energy: -611.732 where: short stacking energy: -335.711 Base-Backbone interact. energy: 0.563 local terms energy: -512.348258 where: bonds (distance) C4'-P energy: -158.666 bonds (distance) P-C4' energy: -134.633 flat angles C4'-P-C4' energy: -144.193 flat angles P-C4'-P energy: -59.653 tors. eta vs tors. theta energy: -15.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -936.168003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.168003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.168003 (E_RNA) where: Base-Base interactions energy: -460.647 where: short stacking energy: -265.711 Base-Backbone interact. energy: -0.746 local terms energy: -474.774601 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -164.998 flat angles C4'-P-C4' energy: -133.086 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2784.526766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.526766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.526766 (E_RNA) where: Base-Base interactions energy: -1860.627 where: short stacking energy: -808.621 Base-Backbone interact. energy: -9.894 local terms energy: -914.006440 where: bonds (distance) C4'-P energy: -185.652 bonds (distance) P-C4' energy: -178.460 flat angles C4'-P-C4' energy: -203.422 flat angles P-C4'-P energy: -138.545 tors. eta vs tors. theta energy: -207.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2691.456209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.456209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.456209 (E_RNA) where: Base-Base interactions energy: -1822.617 where: short stacking energy: -838.478 Base-Backbone interact. energy: -0.349 local terms energy: -868.489742 where: bonds (distance) C4'-P energy: -170.030 bonds (distance) P-C4' energy: -187.706 flat angles C4'-P-C4' energy: -181.072 flat angles P-C4'-P energy: -108.859 tors. eta vs tors. theta energy: -220.822 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: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2460.702574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.702574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.702574 (E_RNA) where: Base-Base interactions energy: -1581.665 where: short stacking energy: -806.890 Base-Backbone interact. energy: -1.182 local terms energy: -877.855750 where: bonds (distance) C4'-P energy: -170.663 bonds (distance) P-C4' energy: -168.219 flat angles C4'-P-C4' energy: -188.914 flat angles P-C4'-P energy: -123.721 tors. eta vs tors. theta energy: -226.338 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: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2243.261413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.261413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.261413 (E_RNA) where: Base-Base interactions energy: -1429.915 where: short stacking energy: -700.400 Base-Backbone interact. energy: -2.661 local terms energy: -810.685860 where: bonds (distance) C4'-P energy: -172.107 bonds (distance) P-C4' energy: -168.379 flat angles C4'-P-C4' energy: -161.868 flat angles P-C4'-P energy: -128.430 tors. eta vs tors. theta energy: -179.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1832.165422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.165422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.165422 (E_RNA) where: Base-Base interactions energy: -1078.773 where: short stacking energy: -553.697 Base-Backbone interact. energy: -5.421 local terms energy: -747.971365 where: bonds (distance) C4'-P energy: -171.412 bonds (distance) P-C4' energy: -171.988 flat angles C4'-P-C4' energy: -181.995 flat angles P-C4'-P energy: -102.962 tors. eta vs tors. theta energy: -119.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1734.672973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.672973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.672973 (E_RNA) where: Base-Base interactions energy: -1037.571 where: short stacking energy: -548.797 Base-Backbone interact. energy: 0.902 local terms energy: -698.003978 where: bonds (distance) C4'-P energy: -158.077 bonds (distance) P-C4' energy: -175.300 flat angles C4'-P-C4' energy: -151.650 flat angles P-C4'-P energy: -109.130 tors. eta vs tors. theta energy: -103.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1511.835072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.835072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.835072 (E_RNA) where: Base-Base interactions energy: -846.179 where: short stacking energy: -455.831 Base-Backbone interact. energy: -3.597 local terms energy: -662.059316 where: bonds (distance) C4'-P energy: -143.215 bonds (distance) P-C4' energy: -162.897 flat angles C4'-P-C4' energy: -170.445 flat angles P-C4'-P energy: -108.696 tors. eta vs tors. theta energy: -76.807 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: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1288.877758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.877758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.877758 (E_RNA) where: Base-Base interactions energy: -743.259 where: short stacking energy: -391.286 Base-Backbone interact. energy: 0.300 local terms energy: -545.918678 where: bonds (distance) C4'-P energy: -151.076 bonds (distance) P-C4' energy: -151.137 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -41.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1169.363094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.363094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.363094 (E_RNA) where: Base-Base interactions energy: -626.513 where: short stacking energy: -352.070 Base-Backbone interact. energy: 11.169 local terms energy: -554.019057 where: bonds (distance) C4'-P energy: -148.163 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -102.066 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -902.104415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.104415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.104415 (E_RNA) where: Base-Base interactions energy: -447.313 where: short stacking energy: -257.949 Base-Backbone interact. energy: -0.080 local terms energy: -454.711501 where: bonds (distance) C4'-P energy: -149.073 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -115.002 flat angles P-C4'-P energy: -45.115 tors. eta vs tors. theta energy: 2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2753.405088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.405088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.405088 (E_RNA) where: Base-Base interactions energy: -1851.902 where: short stacking energy: -784.606 Base-Backbone interact. energy: -5.158 local terms energy: -896.345585 where: bonds (distance) C4'-P energy: -188.562 bonds (distance) P-C4' energy: -180.729 flat angles C4'-P-C4' energy: -199.216 flat angles P-C4'-P energy: -130.801 tors. eta vs tors. theta energy: -197.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2638.138723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.138723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.138723 (E_RNA) where: Base-Base interactions energy: -1746.518 where: short stacking energy: -819.899 Base-Backbone interact. energy: -3.907 local terms energy: -887.713528 where: bonds (distance) C4'-P energy: -175.465 bonds (distance) P-C4' energy: -183.534 flat angles C4'-P-C4' energy: -191.042 flat angles P-C4'-P energy: -119.106 tors. eta vs tors. theta energy: -218.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2424.093541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.093541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.093541 (E_RNA) where: Base-Base interactions energy: -1554.135 where: short stacking energy: -775.343 Base-Backbone interact. energy: -4.113 local terms energy: -865.845963 where: bonds (distance) C4'-P energy: -165.738 bonds (distance) P-C4' energy: -174.693 flat angles C4'-P-C4' energy: -192.405 flat angles P-C4'-P energy: -117.909 tors. eta vs tors. theta energy: -215.101 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: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2195.297065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.297065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.297065 (E_RNA) where: Base-Base interactions energy: -1358.045 where: short stacking energy: -666.311 Base-Backbone interact. energy: -2.082 local terms energy: -835.170266 where: bonds (distance) C4'-P energy: -166.406 bonds (distance) P-C4' energy: -179.116 flat angles C4'-P-C4' energy: -190.073 flat angles P-C4'-P energy: -125.428 tors. eta vs tors. theta energy: -174.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1841.707986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.707986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.707986 (E_RNA) where: Base-Base interactions energy: -1112.022 where: short stacking energy: -582.752 Base-Backbone interact. energy: -3.403 local terms energy: -726.282446 where: bonds (distance) C4'-P energy: -153.087 bonds (distance) P-C4' energy: -172.534 flat angles C4'-P-C4' energy: -177.002 flat angles P-C4'-P energy: -111.659 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: 6, replica: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1750.622186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.622186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.622186 (E_RNA) where: Base-Base interactions energy: -1043.647 where: short stacking energy: -543.359 Base-Backbone interact. energy: -0.623 local terms energy: -706.352403 where: bonds (distance) C4'-P energy: -174.701 bonds (distance) P-C4' energy: -143.309 flat angles C4'-P-C4' energy: -172.305 flat angles P-C4'-P energy: -115.299 tors. eta vs tors. theta energy: -100.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1568.027739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.027739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.027739 (E_RNA) where: Base-Base interactions energy: -927.676 where: short stacking energy: -491.929 Base-Backbone interact. energy: 0.207 local terms energy: -640.558914 where: bonds (distance) C4'-P energy: -169.093 bonds (distance) P-C4' energy: -152.861 flat angles C4'-P-C4' energy: -152.812 flat angles P-C4'-P energy: -93.302 tors. eta vs tors. theta energy: -72.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1375.285608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.285608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.285608 (E_RNA) where: Base-Base interactions energy: -776.145 where: short stacking energy: -418.792 Base-Backbone interact. energy: -1.636 local terms energy: -597.504469 where: bonds (distance) C4'-P energy: -164.076 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -144.790 flat angles P-C4'-P energy: -92.770 tors. eta vs tors. theta energy: -49.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1081.147694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.147694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.147694 (E_RNA) where: Base-Base interactions energy: -563.279 where: short stacking energy: -319.398 Base-Backbone interact. energy: 5.243 local terms energy: -523.112206 where: bonds (distance) C4'-P energy: -140.461 bonds (distance) P-C4' energy: -160.958 flat angles C4'-P-C4' energy: -123.558 flat angles P-C4'-P energy: -82.565 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -950.583331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.583331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.583331 (E_RNA) where: Base-Base interactions energy: -466.764 where: short stacking energy: -262.699 Base-Backbone interact. energy: 1.948 local terms energy: -485.766534 where: bonds (distance) C4'-P energy: -149.629 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -115.801 flat angles P-C4'-P energy: -91.284 tors. eta vs tors. theta energy: 9.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2804.853304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.853304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.853304 (E_RNA) where: Base-Base interactions energy: -1891.334 where: short stacking energy: -834.095 Base-Backbone interact. energy: -5.800 local terms energy: -907.718881 where: bonds (distance) C4'-P energy: -179.245 bonds (distance) P-C4' energy: -168.553 flat angles C4'-P-C4' energy: -199.062 flat angles P-C4'-P energy: -142.854 tors. eta vs tors. theta energy: -218.004 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: 50 Temperature: 0.950000 Total energy: -2665.926133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.926133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.926133 (E_RNA) where: Base-Base interactions energy: -1767.406 where: short stacking energy: -818.342 Base-Backbone interact. energy: -5.946 local terms energy: -892.574756 where: bonds (distance) C4'-P energy: -184.800 bonds (distance) P-C4' energy: -185.550 flat angles C4'-P-C4' energy: -200.430 flat angles P-C4'-P energy: -119.380 tors. eta vs tors. theta energy: -202.414 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: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2444.117303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.117303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.117303 (E_RNA) where: Base-Base interactions energy: -1580.610 where: short stacking energy: -736.243 Base-Backbone interact. energy: 1.054 local terms energy: -864.562085 where: bonds (distance) C4'-P energy: -162.719 bonds (distance) P-C4' energy: -178.053 flat angles C4'-P-C4' energy: -189.759 flat angles P-C4'-P energy: -131.628 tors. eta vs tors. theta energy: -202.403 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: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2192.616927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.616927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.616927 (E_RNA) where: Base-Base interactions energy: -1377.934 where: short stacking energy: -709.665 Base-Backbone interact. energy: 1.360 local terms energy: -816.043217 where: bonds (distance) C4'-P energy: -162.372 bonds (distance) P-C4' energy: -169.935 flat angles C4'-P-C4' energy: -179.693 flat angles P-C4'-P energy: -119.338 tors. eta vs tors. theta energy: -184.705 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: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1859.849274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.849274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.849274 (E_RNA) where: Base-Base interactions energy: -1148.419 where: short stacking energy: -576.056 Base-Backbone interact. energy: 4.154 local terms energy: -715.583418 where: bonds (distance) C4'-P energy: -157.498 bonds (distance) P-C4' energy: -168.193 flat angles C4'-P-C4' energy: -159.847 flat angles P-C4'-P energy: -89.056 tors. eta vs tors. theta energy: -140.989 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: 50 Temperature: 1.150000 Total energy: -1652.885009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.885009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.885009 (E_RNA) where: Base-Base interactions energy: -959.258 where: short stacking energy: -539.740 Base-Backbone interact. energy: -1.691 local terms energy: -691.936114 where: bonds (distance) C4'-P energy: -168.131 bonds (distance) P-C4' energy: -159.871 flat angles C4'-P-C4' energy: -165.900 flat angles P-C4'-P energy: -94.023 tors. eta vs tors. theta energy: -104.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1606.298089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.298089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.298089 (E_RNA) where: Base-Base interactions energy: -975.293 where: short stacking energy: -501.299 Base-Backbone interact. energy: -3.949 local terms energy: -627.056139 where: bonds (distance) C4'-P energy: -144.898 bonds (distance) P-C4' energy: -152.739 flat angles C4'-P-C4' energy: -150.326 flat angles P-C4'-P energy: -93.833 tors. eta vs tors. theta energy: -85.260 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: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1467.563828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.563828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.563828 (E_RNA) where: Base-Base interactions energy: -886.095 where: short stacking energy: -445.489 Base-Backbone interact. energy: 0.460 local terms energy: -581.928914 where: bonds (distance) C4'-P energy: -140.097 bonds (distance) P-C4' energy: -131.605 flat angles C4'-P-C4' energy: -161.282 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: -52.061 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: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1109.978033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.978033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.978033 (E_RNA) where: Base-Base interactions energy: -577.304 where: short stacking energy: -314.948 Base-Backbone interact. energy: -0.674 local terms energy: -532.000371 where: bonds (distance) C4'-P energy: -162.775 bonds (distance) P-C4' energy: -152.167 flat angles C4'-P-C4' energy: -143.991 flat angles P-C4'-P energy: -57.643 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -923.906772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.906772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.906772 (E_RNA) where: Base-Base interactions energy: -454.732 where: short stacking energy: -280.701 Base-Backbone interact. energy: -0.471 local terms energy: -468.702895 where: bonds (distance) C4'-P energy: -135.721 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -129.628 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2829.782478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.782478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.782478 (E_RNA) where: Base-Base interactions energy: -1889.045 where: short stacking energy: -833.970 Base-Backbone interact. energy: -8.894 local terms energy: -931.843505 where: bonds (distance) C4'-P energy: -194.883 bonds (distance) P-C4' energy: -184.819 flat angles C4'-P-C4' energy: -201.516 flat angles P-C4'-P energy: -132.989 tors. eta vs tors. theta energy: -217.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2697.372873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.372873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.372873 (E_RNA) where: Base-Base interactions energy: -1809.158 where: short stacking energy: -821.917 Base-Backbone interact. energy: -5.460 local terms energy: -882.755407 where: bonds (distance) C4'-P energy: -169.847 bonds (distance) P-C4' energy: -179.792 flat angles C4'-P-C4' energy: -191.355 flat angles P-C4'-P energy: -130.924 tors. eta vs tors. theta energy: -210.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2402.860515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.860515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.860515 (E_RNA) where: Base-Base interactions energy: -1531.077 where: short stacking energy: -731.917 Base-Backbone interact. energy: -3.211 local terms energy: -868.572847 where: bonds (distance) C4'-P energy: -169.139 bonds (distance) P-C4' energy: -183.820 flat angles C4'-P-C4' energy: -205.348 flat angles P-C4'-P energy: -120.528 tors. eta vs tors. theta energy: -189.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2335.490465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.490465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.490465 (E_RNA) where: Base-Base interactions energy: -1465.746 where: short stacking energy: -733.249 Base-Backbone interact. energy: -0.927 local terms energy: -868.817746 where: bonds (distance) C4'-P energy: -174.023 bonds (distance) P-C4' energy: -164.599 flat angles C4'-P-C4' energy: -193.807 flat angles P-C4'-P energy: -133.227 tors. eta vs tors. theta energy: -203.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1861.429769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.429769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.429769 (E_RNA) where: Base-Base interactions energy: -1092.679 where: short stacking energy: -593.096 Base-Backbone interact. energy: 3.301 local terms energy: -772.051964 where: bonds (distance) C4'-P energy: -148.907 bonds (distance) P-C4' energy: -159.002 flat angles C4'-P-C4' energy: -182.490 flat angles P-C4'-P energy: -131.300 tors. eta vs tors. theta energy: -150.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1668.970825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.970825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.970825 (E_RNA) where: Base-Base interactions energy: -991.806 where: short stacking energy: -519.394 Base-Backbone interact. energy: 2.357 local terms energy: -679.521707 where: bonds (distance) C4'-P energy: -157.147 bonds (distance) P-C4' energy: -167.904 flat angles C4'-P-C4' energy: -153.505 flat angles P-C4'-P energy: -111.395 tors. eta vs tors. theta energy: -89.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1597.383787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.383787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.383787 (E_RNA) where: Base-Base interactions energy: -975.792 where: short stacking energy: -484.628 Base-Backbone interact. energy: -3.999 local terms energy: -617.593208 where: bonds (distance) C4'-P energy: -125.748 bonds (distance) P-C4' energy: -175.699 flat angles C4'-P-C4' energy: -148.524 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -92.405 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: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1531.751437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.751437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.751437 (E_RNA) where: Base-Base interactions energy: -931.753 where: short stacking energy: -429.524 Base-Backbone interact. energy: 1.759 local terms energy: -601.757523 where: bonds (distance) C4'-P energy: -150.711 bonds (distance) P-C4' energy: -133.193 flat angles C4'-P-C4' energy: -153.303 flat angles P-C4'-P energy: -97.860 tors. eta vs tors. theta energy: -66.690 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: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1037.144620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.144620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.144620 (E_RNA) where: Base-Base interactions energy: -515.440 where: short stacking energy: -302.448 Base-Backbone interact. energy: -2.662 local terms energy: -519.042736 where: bonds (distance) C4'-P energy: -160.682 bonds (distance) P-C4' energy: -143.079 flat angles C4'-P-C4' energy: -125.801 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -11.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -941.792962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.792962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.792962 (E_RNA) where: Base-Base interactions energy: -492.551 where: short stacking energy: -261.744 Base-Backbone interact. energy: 6.922 local terms energy: -456.163975 where: bonds (distance) C4'-P energy: -143.076 bonds (distance) P-C4' energy: -136.159 flat angles C4'-P-C4' energy: -126.475 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: 6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2827.563697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.563697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.563697 (E_RNA) where: Base-Base interactions energy: -1887.668 where: short stacking energy: -812.733 Base-Backbone interact. energy: -12.785 local terms energy: -927.110093 where: bonds (distance) C4'-P energy: -182.573 bonds (distance) P-C4' energy: -190.323 flat angles C4'-P-C4' energy: -199.135 flat angles P-C4'-P energy: -128.566 tors. eta vs tors. theta energy: -226.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2670.513302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.513302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.513302 (E_RNA) where: Base-Base interactions energy: -1787.659 where: short stacking energy: -803.239 Base-Backbone interact. energy: -5.300 local terms energy: -877.554222 where: bonds (distance) C4'-P energy: -180.493 bonds (distance) P-C4' energy: -164.390 flat angles C4'-P-C4' energy: -203.590 flat angles P-C4'-P energy: -133.983 tors. eta vs tors. theta energy: -195.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2479.781490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.781490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.781490 (E_RNA) where: Base-Base interactions energy: -1637.734 where: short stacking energy: -779.444 Base-Backbone interact. energy: 2.543 local terms energy: -844.590821 where: bonds (distance) C4'-P energy: -154.052 bonds (distance) P-C4' energy: -177.045 flat angles C4'-P-C4' energy: -187.054 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -218.952 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: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2200.721477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.721477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.721477 (E_RNA) where: Base-Base interactions energy: -1423.732 where: short stacking energy: -693.377 Base-Backbone interact. energy: 0.828 local terms energy: -777.817950 where: bonds (distance) C4'-P energy: -138.734 bonds (distance) P-C4' energy: -168.106 flat angles C4'-P-C4' energy: -184.405 flat angles P-C4'-P energy: -117.794 tors. eta vs tors. theta energy: -168.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1876.194754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.194754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.194754 (E_RNA) where: Base-Base interactions energy: -1172.207 where: short stacking energy: -554.358 Base-Backbone interact. energy: 1.436 local terms energy: -705.423761 where: bonds (distance) C4'-P energy: -167.201 bonds (distance) P-C4' energy: -149.334 flat angles C4'-P-C4' energy: -174.349 flat angles P-C4'-P energy: -101.880 tors. eta vs tors. theta energy: -112.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1677.085630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.085630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.085630 (E_RNA) where: Base-Base interactions energy: -987.624 where: short stacking energy: -505.421 Base-Backbone interact. energy: -6.040 local terms energy: -683.421437 where: bonds (distance) C4'-P energy: -157.956 bonds (distance) P-C4' energy: -165.738 flat angles C4'-P-C4' energy: -154.411 flat angles P-C4'-P energy: -96.507 tors. eta vs tors. theta energy: -108.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1611.753771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.753771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.753771 (E_RNA) where: Base-Base interactions energy: -977.070 where: short stacking energy: -508.409 Base-Backbone interact. energy: -2.313 local terms energy: -632.370667 where: bonds (distance) C4'-P energy: -153.893 bonds (distance) P-C4' energy: -125.727 flat angles C4'-P-C4' energy: -169.576 flat angles P-C4'-P energy: -101.131 tors. eta vs tors. theta energy: -82.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1504.445618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.445618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.445618 (E_RNA) where: Base-Base interactions energy: -893.813 where: short stacking energy: -432.616 Base-Backbone interact. energy: 4.015 local terms energy: -614.648246 where: bonds (distance) C4'-P energy: -155.217 bonds (distance) P-C4' energy: -163.872 flat angles C4'-P-C4' energy: -152.741 flat angles P-C4'-P energy: -75.336 tors. eta vs tors. theta energy: -67.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1014.960399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.960399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.960399 (E_RNA) where: Base-Base interactions energy: -519.678 where: short stacking energy: -278.314 Base-Backbone interact. energy: -4.493 local terms energy: -490.789645 where: bonds (distance) C4'-P energy: -148.625 bonds (distance) P-C4' energy: -136.393 flat angles C4'-P-C4' energy: -132.105 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: 10.119 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: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -915.629985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.629985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.629985 (E_RNA) where: Base-Base interactions energy: -441.543 where: short stacking energy: -252.330 Base-Backbone interact. energy: 0.179 local terms energy: -474.265627 where: bonds (distance) C4'-P energy: -147.591 bonds (distance) P-C4' energy: -135.788 flat angles C4'-P-C4' energy: -100.959 flat angles P-C4'-P energy: -97.106 tors. eta vs tors. theta energy: 7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2830.630685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.630685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.630685 (E_RNA) where: Base-Base interactions energy: -1880.005 where: short stacking energy: -814.792 Base-Backbone interact. energy: -7.207 local terms energy: -943.418611 where: bonds (distance) C4'-P energy: -175.820 bonds (distance) P-C4' energy: -193.507 flat angles C4'-P-C4' energy: -202.575 flat angles P-C4'-P energy: -144.972 tors. eta vs tors. theta energy: -226.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2661.770517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.770517 (E_RNA) where: Base-Base interactions energy: -1777.965 where: short stacking energy: -808.965 Base-Backbone interact. energy: -4.823 local terms energy: -878.981626 where: bonds (distance) C4'-P energy: -156.911 bonds (distance) P-C4' energy: -182.356 flat angles C4'-P-C4' energy: -198.091 flat angles P-C4'-P energy: -126.096 tors. eta vs tors. theta energy: -215.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2416.678122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.678122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.678122 (E_RNA) where: Base-Base interactions energy: -1553.829 where: short stacking energy: -753.941 Base-Backbone interact. energy: -4.058 local terms energy: -858.791232 where: bonds (distance) C4'-P energy: -161.811 bonds (distance) P-C4' energy: -187.874 flat angles C4'-P-C4' energy: -189.561 flat angles P-C4'-P energy: -113.889 tors. eta vs tors. theta energy: -205.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2252.431521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.431521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.431521 (E_RNA) where: Base-Base interactions energy: -1437.021 where: short stacking energy: -683.501 Base-Backbone interact. energy: -0.810 local terms energy: -814.600916 where: bonds (distance) C4'-P energy: -175.613 bonds (distance) P-C4' energy: -172.269 flat angles C4'-P-C4' energy: -183.796 flat angles P-C4'-P energy: -108.927 tors. eta vs tors. theta energy: -173.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1965.310403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.310403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.310403 (E_RNA) where: Base-Base interactions energy: -1233.106 where: short stacking energy: -617.539 Base-Backbone interact. energy: -1.352 local terms energy: -730.852902 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -168.218 flat angles C4'-P-C4' energy: -169.593 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -149.092 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: 6, replica: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1682.722054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.722054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.722054 (E_RNA) where: Base-Base interactions energy: -1006.141 where: short stacking energy: -502.941 Base-Backbone interact. energy: -2.815 local terms energy: -673.766686 where: bonds (distance) C4'-P energy: -158.596 bonds (distance) P-C4' energy: -158.962 flat angles C4'-P-C4' energy: -150.051 flat angles P-C4'-P energy: -113.678 tors. eta vs tors. theta energy: -92.479 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: 7, replica: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1608.584979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.584979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.584979 (E_RNA) where: Base-Base interactions energy: -928.889 where: short stacking energy: -471.414 Base-Backbone interact. energy: 2.394 local terms energy: -682.089891 where: bonds (distance) C4'-P energy: -172.813 bonds (distance) P-C4' energy: -173.265 flat angles C4'-P-C4' energy: -155.973 flat angles P-C4'-P energy: -86.272 tors. eta vs tors. theta energy: -93.767 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: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1663.981743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.981743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.981743 (E_RNA) where: Base-Base interactions energy: -1006.410 where: short stacking energy: -494.317 Base-Backbone interact. energy: 2.539 local terms energy: -660.110673 where: bonds (distance) C4'-P energy: -165.096 bonds (distance) P-C4' energy: -157.143 flat angles C4'-P-C4' energy: -134.922 flat angles P-C4'-P energy: -112.835 tors. eta vs tors. theta energy: -90.115 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: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1041.210282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.210282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.210282 (E_RNA) where: Base-Base interactions energy: -499.741 where: short stacking energy: -284.311 Base-Backbone interact. energy: 0.640 local terms energy: -542.109509 where: bonds (distance) C4'-P energy: -143.972 bonds (distance) P-C4' energy: -156.189 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -96.133 tors. eta vs tors. theta energy: -14.805 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: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -932.239403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.239403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.239403 (E_RNA) where: Base-Base interactions energy: -400.898 where: short stacking energy: -237.618 Base-Backbone interact. energy: -0.792 local terms energy: -530.549400 where: bonds (distance) C4'-P energy: -138.987 bonds (distance) P-C4' energy: -151.416 flat angles C4'-P-C4' energy: -153.248 flat angles P-C4'-P energy: -86.639 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2836.704204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.704204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.704204 (E_RNA) where: Base-Base interactions energy: -1921.592 where: short stacking energy: -851.363 Base-Backbone interact. energy: -8.075 local terms energy: -907.036733 where: bonds (distance) C4'-P energy: -163.394 bonds (distance) P-C4' energy: -179.747 flat angles C4'-P-C4' energy: -192.767 flat angles P-C4'-P energy: -132.935 tors. eta vs tors. theta energy: -238.194 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: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2745.752446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.752446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.752446 (E_RNA) where: Base-Base interactions energy: -1804.473 where: short stacking energy: -832.878 Base-Backbone interact. energy: -5.983 local terms energy: -935.296706 where: bonds (distance) C4'-P energy: -184.778 bonds (distance) P-C4' energy: -185.014 flat angles C4'-P-C4' energy: -214.574 flat angles P-C4'-P energy: -132.601 tors. eta vs tors. theta energy: -218.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2452.232090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.232090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.232090 (E_RNA) where: Base-Base interactions energy: -1575.745 where: short stacking energy: -737.787 Base-Backbone interact. energy: -7.313 local terms energy: -869.174348 where: bonds (distance) C4'-P energy: -160.673 bonds (distance) P-C4' energy: -192.402 flat angles C4'-P-C4' energy: -198.546 flat angles P-C4'-P energy: -111.711 tors. eta vs tors. theta energy: -205.842 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: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2307.748216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.748216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.748216 (E_RNA) where: Base-Base interactions energy: -1491.588 where: short stacking energy: -684.172 Base-Backbone interact. energy: -4.899 local terms energy: -811.261349 where: bonds (distance) C4'-P energy: -158.241 bonds (distance) P-C4' energy: -173.619 flat angles C4'-P-C4' energy: -175.675 flat angles P-C4'-P energy: -115.279 tors. eta vs tors. theta energy: -188.447 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: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1963.192422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.192422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.192422 (E_RNA) where: Base-Base interactions energy: -1216.984 where: short stacking energy: -596.302 Base-Backbone interact. energy: -0.352 local terms energy: -745.855984 where: bonds (distance) C4'-P energy: -158.559 bonds (distance) P-C4' energy: -157.835 flat angles C4'-P-C4' energy: -172.827 flat angles P-C4'-P energy: -123.380 tors. eta vs tors. theta energy: -133.254 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: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1736.451573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.451573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.451573 (E_RNA) where: Base-Base interactions energy: -1028.044 where: short stacking energy: -547.757 Base-Backbone interact. energy: -0.412 local terms energy: -707.995620 where: bonds (distance) C4'-P energy: -142.050 bonds (distance) P-C4' energy: -180.217 flat angles C4'-P-C4' energy: -180.239 flat angles P-C4'-P energy: -101.586 tors. eta vs tors. theta energy: -103.904 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: 2 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1528.418001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.418001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.418001 (E_RNA) where: Base-Base interactions energy: -871.668 where: short stacking energy: -468.378 Base-Backbone interact. energy: -2.962 local terms energy: -653.788692 where: bonds (distance) C4'-P energy: -177.039 bonds (distance) P-C4' energy: -148.348 flat angles C4'-P-C4' energy: -168.074 flat angles P-C4'-P energy: -98.196 tors. eta vs tors. theta energy: -62.133 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: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1461.119870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.119870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.119870 (E_RNA) where: Base-Base interactions energy: -860.477 where: short stacking energy: -442.506 Base-Backbone interact. energy: -2.340 local terms energy: -598.302327 where: bonds (distance) C4'-P energy: -145.519 bonds (distance) P-C4' energy: -154.100 flat angles C4'-P-C4' energy: -143.237 flat angles P-C4'-P energy: -97.276 tors. eta vs tors. theta energy: -58.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1050.262159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.262159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.262159 (E_RNA) where: Base-Base interactions energy: -571.076 where: short stacking energy: -335.953 Base-Backbone interact. energy: 1.141 local terms energy: -480.326919 where: bonds (distance) C4'-P energy: -131.244 bonds (distance) P-C4' energy: -151.433 flat angles C4'-P-C4' energy: -128.458 flat angles P-C4'-P energy: -59.646 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: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -892.238808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.238808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.238808 (E_RNA) where: Base-Base interactions energy: -422.243 where: short stacking energy: -257.280 Base-Backbone interact. energy: 3.628 local terms energy: -473.624650 where: bonds (distance) C4'-P energy: -144.310 bonds (distance) P-C4' energy: -154.070 flat angles C4'-P-C4' energy: -118.880 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: 19.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2807.515174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.515174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.515174 (E_RNA) where: Base-Base interactions energy: -1895.935 where: short stacking energy: -813.206 Base-Backbone interact. energy: -5.039 local terms energy: -906.541268 where: bonds (distance) C4'-P energy: -171.257 bonds (distance) P-C4' energy: -169.714 flat angles C4'-P-C4' energy: -203.358 flat angles P-C4'-P energy: -144.573 tors. eta vs tors. theta energy: -217.639 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: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2761.441851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.441851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.441851 (E_RNA) where: Base-Base interactions energy: -1797.151 where: short stacking energy: -821.924 Base-Backbone interact. energy: -4.015 local terms energy: -960.276619 where: bonds (distance) C4'-P energy: -194.263 bonds (distance) P-C4' energy: -201.265 flat angles C4'-P-C4' energy: -209.072 flat angles P-C4'-P energy: -123.353 tors. eta vs tors. theta energy: -232.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2485.534067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.534067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.534067 (E_RNA) where: Base-Base interactions energy: -1626.243 where: short stacking energy: -786.666 Base-Backbone interact. energy: -3.591 local terms energy: -855.699489 where: bonds (distance) C4'-P energy: -168.532 bonds (distance) P-C4' energy: -184.729 flat angles C4'-P-C4' energy: -183.394 flat angles P-C4'-P energy: -113.743 tors. eta vs tors. theta energy: -205.302 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: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2293.338732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.338732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.338732 (E_RNA) where: Base-Base interactions energy: -1477.465 where: short stacking energy: -680.553 Base-Backbone interact. energy: -1.517 local terms energy: -814.356572 where: bonds (distance) C4'-P energy: -172.383 bonds (distance) P-C4' energy: -165.665 flat angles C4'-P-C4' energy: -187.317 flat angles P-C4'-P energy: -126.024 tors. eta vs tors. theta energy: -162.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1984.692446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.692446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.692446 (E_RNA) where: Base-Base interactions energy: -1227.472 where: short stacking energy: -622.171 Base-Backbone interact. energy: -4.255 local terms energy: -752.964728 where: bonds (distance) C4'-P energy: -150.622 bonds (distance) P-C4' energy: -179.367 flat angles C4'-P-C4' energy: -175.480 flat angles P-C4'-P energy: -109.776 tors. eta vs tors. theta energy: -137.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1724.800771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.800771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.800771 (E_RNA) where: Base-Base interactions energy: -1039.704 where: short stacking energy: -520.293 Base-Backbone interact. energy: 2.013 local terms energy: -687.110300 where: bonds (distance) C4'-P energy: -165.711 bonds (distance) P-C4' energy: -160.237 flat angles C4'-P-C4' energy: -157.229 flat angles P-C4'-P energy: -102.606 tors. eta vs tors. theta energy: -101.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1504.796450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.796450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.796450 (E_RNA) where: Base-Base interactions energy: -890.153 where: short stacking energy: -476.682 Base-Backbone interact. energy: 1.236 local terms energy: -615.879017 where: bonds (distance) C4'-P energy: -152.992 bonds (distance) P-C4' energy: -157.143 flat angles C4'-P-C4' energy: -150.450 flat angles P-C4'-P energy: -85.443 tors. eta vs tors. theta energy: -69.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1451.410315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.410315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.410315 (E_RNA) where: Base-Base interactions energy: -871.620 where: short stacking energy: -452.900 Base-Backbone interact. energy: 7.694 local terms energy: -587.484032 where: bonds (distance) C4'-P energy: -141.109 bonds (distance) P-C4' energy: -168.081 flat angles C4'-P-C4' energy: -163.544 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -47.899 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: 55 Temperature: 1.300000 Total energy: -1019.096913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.096913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.096913 (E_RNA) where: Base-Base interactions energy: -518.044 where: short stacking energy: -319.863 Base-Backbone interact. energy: 6.396 local terms energy: -507.448443 where: bonds (distance) C4'-P energy: -152.360 bonds (distance) P-C4' energy: -151.819 flat angles C4'-P-C4' energy: -134.125 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: 8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -908.815785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.815785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.815785 (E_RNA) where: Base-Base interactions energy: -458.589 where: short stacking energy: -252.403 Base-Backbone interact. energy: 5.326 local terms energy: -455.552362 where: bonds (distance) C4'-P energy: -133.590 bonds (distance) P-C4' energy: -151.593 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: 11.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2797.575203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.575203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.575203 (E_RNA) where: Base-Base interactions energy: -1857.218 where: short stacking energy: -807.687 Base-Backbone interact. energy: -5.328 local terms energy: -935.028728 where: bonds (distance) C4'-P energy: -192.909 bonds (distance) P-C4' energy: -185.929 flat angles C4'-P-C4' energy: -196.625 flat angles P-C4'-P energy: -125.611 tors. eta vs tors. theta energy: -233.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2730.119124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.119124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.119124 (E_RNA) where: Base-Base interactions energy: -1812.150 where: short stacking energy: -818.564 Base-Backbone interact. energy: -3.087 local terms energy: -914.882933 where: bonds (distance) C4'-P energy: -176.272 bonds (distance) P-C4' energy: -176.232 flat angles C4'-P-C4' energy: -191.400 flat angles P-C4'-P energy: -130.893 tors. eta vs tors. theta energy: -240.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2480.890091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.890091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.890091 (E_RNA) where: Base-Base interactions energy: -1622.743 where: short stacking energy: -765.448 Base-Backbone interact. energy: -2.056 local terms energy: -856.091810 where: bonds (distance) C4'-P energy: -174.826 bonds (distance) P-C4' energy: -180.125 flat angles C4'-P-C4' energy: -198.430 flat angles P-C4'-P energy: -105.473 tors. eta vs tors. theta energy: -197.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2296.375803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.375803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.375803 (E_RNA) where: Base-Base interactions energy: -1459.815 where: short stacking energy: -713.219 Base-Backbone interact. energy: -4.524 local terms energy: -832.037116 where: bonds (distance) C4'-P energy: -179.906 bonds (distance) P-C4' energy: -171.880 flat angles C4'-P-C4' energy: -184.739 flat angles P-C4'-P energy: -113.123 tors. eta vs tors. theta energy: -182.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2010.450328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.450328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.450328 (E_RNA) where: Base-Base interactions energy: -1271.951 where: short stacking energy: -605.712 Base-Backbone interact. energy: -6.594 local terms energy: -731.906126 where: bonds (distance) C4'-P energy: -140.323 bonds (distance) P-C4' energy: -162.788 flat angles C4'-P-C4' energy: -170.663 flat angles P-C4'-P energy: -118.046 tors. eta vs tors. theta energy: -140.086 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: 9 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1687.490708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.490708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.490708 (E_RNA) where: Base-Base interactions energy: -997.558 where: short stacking energy: -496.008 Base-Backbone interact. energy: -1.412 local terms energy: -688.520336 where: bonds (distance) C4'-P energy: -136.235 bonds (distance) P-C4' energy: -176.477 flat angles C4'-P-C4' energy: -153.706 flat angles P-C4'-P energy: -125.399 tors. eta vs tors. theta energy: -96.703 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: 2 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1586.879246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.879246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.879246 (E_RNA) where: Base-Base interactions energy: -932.639 where: short stacking energy: -482.045 Base-Backbone interact. energy: -1.805 local terms energy: -652.435368 where: bonds (distance) C4'-P energy: -154.620 bonds (distance) P-C4' energy: -144.125 flat angles C4'-P-C4' energy: -165.041 flat angles P-C4'-P energy: -105.412 tors. eta vs tors. theta energy: -83.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1431.164648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.164648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.164648 (E_RNA) where: Base-Base interactions energy: -816.580 where: short stacking energy: -413.401 Base-Backbone interact. energy: 0.096 local terms energy: -614.680398 where: bonds (distance) C4'-P energy: -147.434 bonds (distance) P-C4' energy: -171.811 flat angles C4'-P-C4' energy: -159.161 flat angles P-C4'-P energy: -75.993 tors. eta vs tors. theta energy: -60.280 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: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1135.520348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.520348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.520348 (E_RNA) where: Base-Base interactions energy: -615.319 where: short stacking energy: -332.379 Base-Backbone interact. energy: 2.443 local terms energy: -522.644830 where: bonds (distance) C4'-P energy: -129.358 bonds (distance) P-C4' energy: -170.314 flat angles C4'-P-C4' energy: -130.610 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -21.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -957.235906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.235906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.235906 (E_RNA) where: Base-Base interactions energy: -502.883 where: short stacking energy: -301.334 Base-Backbone interact. energy: 8.479 local terms energy: -462.831782 where: bonds (distance) C4'-P energy: -137.424 bonds (distance) P-C4' energy: -152.893 flat angles C4'-P-C4' energy: -123.587 flat angles P-C4'-P energy: -67.106 tors. eta vs tors. theta energy: 18.179 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: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2790.581743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.581743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.581743 (E_RNA) where: Base-Base interactions energy: -1874.521 where: short stacking energy: -806.328 Base-Backbone interact. energy: -6.082 local terms energy: -909.978650 where: bonds (distance) C4'-P energy: -176.003 bonds (distance) P-C4' energy: -178.749 flat angles C4'-P-C4' energy: -203.359 flat angles P-C4'-P energy: -137.895 tors. eta vs tors. theta energy: -213.972 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: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2759.623377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.623377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.623377 (E_RNA) where: Base-Base interactions energy: -1858.879 where: short stacking energy: -861.628 Base-Backbone interact. energy: -4.403 local terms energy: -896.340712 where: bonds (distance) C4'-P energy: -162.107 bonds (distance) P-C4' energy: -172.828 flat angles C4'-P-C4' energy: -206.753 flat angles P-C4'-P energy: -121.332 tors. eta vs tors. theta energy: -233.320 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: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2511.680131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.680131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.680131 (E_RNA) where: Base-Base interactions energy: -1628.159 where: short stacking energy: -794.889 Base-Backbone interact. energy: -1.208 local terms energy: -882.313094 where: bonds (distance) C4'-P energy: -171.645 bonds (distance) P-C4' energy: -186.616 flat angles C4'-P-C4' energy: -196.009 flat angles P-C4'-P energy: -116.543 tors. eta vs tors. theta energy: -211.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2334.817667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.817667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.817667 (E_RNA) where: Base-Base interactions energy: -1513.017 where: short stacking energy: -684.843 Base-Backbone interact. energy: -0.011 local terms energy: -821.790126 where: bonds (distance) C4'-P energy: -158.735 bonds (distance) P-C4' energy: -178.934 flat angles C4'-P-C4' energy: -189.531 flat angles P-C4'-P energy: -115.797 tors. eta vs tors. theta energy: -178.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2031.467399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.467399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.467399 (E_RNA) where: Base-Base interactions energy: -1282.591 where: short stacking energy: -624.700 Base-Backbone interact. energy: -2.305 local terms energy: -746.571669 where: bonds (distance) C4'-P energy: -167.230 bonds (distance) P-C4' energy: -148.199 flat angles C4'-P-C4' energy: -170.204 flat angles P-C4'-P energy: -101.245 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: 6, replica: 9 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1682.824075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.824075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.824075 (E_RNA) where: Base-Base interactions energy: -993.131 where: short stacking energy: -515.819 Base-Backbone interact. energy: -3.507 local terms energy: -686.186777 where: bonds (distance) C4'-P energy: -163.178 bonds (distance) P-C4' energy: -164.678 flat angles C4'-P-C4' energy: -154.166 flat angles P-C4'-P energy: -124.494 tors. eta vs tors. theta energy: -79.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1577.801433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.801433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.801433 (E_RNA) where: Base-Base interactions energy: -939.388 where: short stacking energy: -507.190 Base-Backbone interact. energy: 2.302 local terms energy: -640.715640 where: bonds (distance) C4'-P energy: -138.348 bonds (distance) P-C4' energy: -162.088 flat angles C4'-P-C4' energy: -133.695 flat angles P-C4'-P energy: -110.357 tors. eta vs tors. theta energy: -96.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1481.416522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.416522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.416522 (E_RNA) where: Base-Base interactions energy: -937.161 where: short stacking energy: -441.231 Base-Backbone interact. energy: -0.134 local terms energy: -544.121733 where: bonds (distance) C4'-P energy: -153.292 bonds (distance) P-C4' energy: -151.989 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -78.436 tors. eta vs tors. theta energy: -51.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1179.768064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.768064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.768064 (E_RNA) where: Base-Base interactions energy: -626.834 where: short stacking energy: -333.926 Base-Backbone interact. energy: -3.158 local terms energy: -549.776176 where: bonds (distance) C4'-P energy: -158.338 bonds (distance) P-C4' energy: -149.451 flat angles C4'-P-C4' energy: -151.695 flat angles P-C4'-P energy: -67.365 tors. eta vs tors. theta energy: -22.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -961.797298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.797298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.797298 (E_RNA) where: Base-Base interactions energy: -474.196 where: short stacking energy: -274.804 Base-Backbone interact. energy: -1.233 local terms energy: -486.368440 where: bonds (distance) C4'-P energy: -157.944 bonds (distance) P-C4' energy: -145.199 flat angles C4'-P-C4' energy: -119.326 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: 11.117 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: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2810.343896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.343896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.343896 (E_RNA) where: Base-Base interactions energy: -1890.779 where: short stacking energy: -803.333 Base-Backbone interact. energy: -5.432 local terms energy: -914.132891 where: bonds (distance) C4'-P energy: -176.756 bonds (distance) P-C4' energy: -189.060 flat angles C4'-P-C4' energy: -197.910 flat angles P-C4'-P energy: -138.864 tors. eta vs tors. theta energy: -211.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2747.390504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.390504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.390504 (E_RNA) where: Base-Base interactions energy: -1830.844 where: short stacking energy: -835.007 Base-Backbone interact. energy: 0.280 local terms energy: -916.826256 where: bonds (distance) C4'-P energy: -179.888 bonds (distance) P-C4' energy: -177.593 flat angles C4'-P-C4' energy: -204.748 flat angles P-C4'-P energy: -129.311 tors. eta vs tors. theta energy: -225.286 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: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2471.333363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.333363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.333363 (E_RNA) where: Base-Base interactions energy: -1600.507 where: short stacking energy: -790.546 Base-Backbone interact. energy: -2.710 local terms energy: -868.116528 where: bonds (distance) C4'-P energy: -155.611 bonds (distance) P-C4' energy: -184.418 flat angles C4'-P-C4' energy: -182.942 flat angles P-C4'-P energy: -123.030 tors. eta vs tors. theta energy: -222.115 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: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2435.245185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.245185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.245185 (E_RNA) where: Base-Base interactions energy: -1601.261 where: short stacking energy: -724.837 Base-Backbone interact. energy: 0.906 local terms energy: -834.890075 where: bonds (distance) C4'-P energy: -187.242 bonds (distance) P-C4' energy: -155.700 flat angles C4'-P-C4' energy: -185.436 flat angles P-C4'-P energy: -131.185 tors. eta vs tors. theta energy: -175.327 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: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2006.839775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.839775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.839775 (E_RNA) where: Base-Base interactions energy: -1239.792 where: short stacking energy: -600.825 Base-Backbone interact. energy: -3.150 local terms energy: -763.897195 where: bonds (distance) C4'-P energy: -162.288 bonds (distance) P-C4' energy: -168.091 flat angles C4'-P-C4' energy: -182.850 flat angles P-C4'-P energy: -114.603 tors. eta vs tors. theta energy: -136.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1727.627614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.627614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.627614 (E_RNA) where: Base-Base interactions energy: -1043.044 where: short stacking energy: -543.090 Base-Backbone interact. energy: -0.415 local terms energy: -684.169112 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -167.648 flat angles C4'-P-C4' energy: -159.177 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -99.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1563.966364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.966364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.966364 (E_RNA) where: Base-Base interactions energy: -937.742 where: short stacking energy: -462.391 Base-Backbone interact. energy: 0.087 local terms energy: -626.311542 where: bonds (distance) C4'-P energy: -143.900 bonds (distance) P-C4' energy: -159.263 flat angles C4'-P-C4' energy: -167.884 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -63.068 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: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1488.073589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.073589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.073589 (E_RNA) where: Base-Base interactions energy: -866.207 where: short stacking energy: -456.071 Base-Backbone interact. energy: 2.487 local terms energy: -624.354429 where: bonds (distance) C4'-P energy: -145.196 bonds (distance) P-C4' energy: -155.662 flat angles C4'-P-C4' energy: -156.359 flat angles P-C4'-P energy: -95.706 tors. eta vs tors. theta energy: -71.432 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: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1038.064835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.064835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.064835 (E_RNA) where: Base-Base interactions energy: -496.293 where: short stacking energy: -287.389 Base-Backbone interact. energy: -2.345 local terms energy: -539.426432 where: bonds (distance) C4'-P energy: -141.077 bonds (distance) P-C4' energy: -161.089 flat angles C4'-P-C4' energy: -146.345 flat angles P-C4'-P energy: -82.999 tors. eta vs tors. theta energy: -7.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -988.297009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.297009 (E_RNA) where: Base-Base interactions energy: -514.450 where: short stacking energy: -292.267 Base-Backbone interact. energy: 2.295 local terms energy: -476.141516 where: bonds (distance) C4'-P energy: -128.058 bonds (distance) P-C4' energy: -168.904 flat angles C4'-P-C4' energy: -114.717 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: 6.595 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: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2809.440744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.440744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.440744 (E_RNA) where: Base-Base interactions energy: -1932.441 where: short stacking energy: -829.132 Base-Backbone interact. energy: -11.945 local terms energy: -865.054888 where: bonds (distance) C4'-P energy: -175.363 bonds (distance) P-C4' energy: -177.712 flat angles C4'-P-C4' energy: -185.109 flat angles P-C4'-P energy: -112.109 tors. eta vs tors. theta energy: -214.762 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: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2755.124178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.124178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.124178 (E_RNA) where: Base-Base interactions energy: -1828.113 where: short stacking energy: -853.725 Base-Backbone interact. energy: -4.006 local terms energy: -923.005053 where: bonds (distance) C4'-P energy: -173.082 bonds (distance) P-C4' energy: -181.000 flat angles C4'-P-C4' energy: -202.622 flat angles P-C4'-P energy: -132.143 tors. eta vs tors. theta energy: -234.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2431.908210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.908210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.908210 (E_RNA) where: Base-Base interactions energy: -1562.062 where: short stacking energy: -768.848 Base-Backbone interact. energy: 4.990 local terms energy: -874.836354 where: bonds (distance) C4'-P energy: -170.060 bonds (distance) P-C4' energy: -185.493 flat angles C4'-P-C4' energy: -189.276 flat angles P-C4'-P energy: -125.061 tors. eta vs tors. theta energy: -204.947 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: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2432.318442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.318442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.318442 (E_RNA) where: Base-Base interactions energy: -1639.086 where: short stacking energy: -747.509 Base-Backbone interact. energy: -0.206 local terms energy: -793.026302 where: bonds (distance) C4'-P energy: -152.837 bonds (distance) P-C4' energy: -176.719 flat angles C4'-P-C4' energy: -182.488 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -180.756 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: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1995.701570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.701570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.701570 (E_RNA) where: Base-Base interactions energy: -1242.035 where: short stacking energy: -578.758 Base-Backbone interact. energy: -5.722 local terms energy: -747.944480 where: bonds (distance) C4'-P energy: -170.828 bonds (distance) P-C4' energy: -160.389 flat angles C4'-P-C4' energy: -166.134 flat angles P-C4'-P energy: -107.592 tors. eta vs tors. theta energy: -143.002 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: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1774.127981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.127981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.127981 (E_RNA) where: Base-Base interactions energy: -1077.653 where: short stacking energy: -515.895 Base-Backbone interact. energy: -0.980 local terms energy: -695.495326 where: bonds (distance) C4'-P energy: -152.174 bonds (distance) P-C4' energy: -168.126 flat angles C4'-P-C4' energy: -160.902 flat angles P-C4'-P energy: -122.491 tors. eta vs tors. theta energy: -91.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1571.304319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.304319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.304319 (E_RNA) where: Base-Base interactions energy: -961.424 where: short stacking energy: -495.194 Base-Backbone interact. energy: -4.121 local terms energy: -605.758979 where: bonds (distance) C4'-P energy: -140.883 bonds (distance) P-C4' energy: -158.430 flat angles C4'-P-C4' energy: -154.951 flat angles P-C4'-P energy: -61.698 tors. eta vs tors. theta energy: -89.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1452.906470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.906470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.906470 (E_RNA) where: Base-Base interactions energy: -832.397 where: short stacking energy: -440.547 Base-Backbone interact. energy: 1.313 local terms energy: -621.823009 where: bonds (distance) C4'-P energy: -149.614 bonds (distance) P-C4' energy: -156.897 flat angles C4'-P-C4' energy: -170.093 flat angles P-C4'-P energy: -81.563 tors. eta vs tors. theta energy: -63.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1084.004820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.004820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.004820 (E_RNA) where: Base-Base interactions energy: -590.577 where: short stacking energy: -309.503 Base-Backbone interact. energy: 2.928 local terms energy: -496.355639 where: bonds (distance) C4'-P energy: -152.571 bonds (distance) P-C4' energy: -144.159 flat angles C4'-P-C4' energy: -109.368 flat angles P-C4'-P energy: -84.580 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1021.975846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.975846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.975846 (E_RNA) where: Base-Base interactions energy: -531.388 where: short stacking energy: -306.560 Base-Backbone interact. energy: 2.179 local terms energy: -492.767335 where: bonds (distance) C4'-P energy: -135.844 bonds (distance) P-C4' energy: -138.507 flat angles C4'-P-C4' energy: -144.598 flat angles P-C4'-P energy: -62.397 tors. eta vs tors. theta energy: -11.422 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: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2836.879112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.879112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.879112 (E_RNA) where: Base-Base interactions energy: -1866.644 where: short stacking energy: -892.018 Base-Backbone interact. energy: -5.262 local terms energy: -964.972599 where: bonds (distance) C4'-P energy: -190.863 bonds (distance) P-C4' energy: -200.366 flat angles C4'-P-C4' energy: -200.475 flat angles P-C4'-P energy: -126.054 tors. eta vs tors. theta energy: -247.215 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: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2758.856954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.856954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.856954 (E_RNA) where: Base-Base interactions energy: -1863.133 where: short stacking energy: -799.378 Base-Backbone interact. energy: -2.695 local terms energy: -893.028990 where: bonds (distance) C4'-P energy: -175.592 bonds (distance) P-C4' energy: -171.122 flat angles C4'-P-C4' energy: -206.087 flat angles P-C4'-P energy: -127.526 tors. eta vs tors. theta energy: -212.703 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: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2486.843204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.843204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.843204 (E_RNA) where: Base-Base interactions energy: -1621.608 where: short stacking energy: -752.487 Base-Backbone interact. energy: -2.301 local terms energy: -862.934375 where: bonds (distance) C4'-P energy: -181.157 bonds (distance) P-C4' energy: -158.583 flat angles C4'-P-C4' energy: -200.641 flat angles P-C4'-P energy: -121.698 tors. eta vs tors. theta energy: -200.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2321.077816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.077816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.077816 (E_RNA) where: Base-Base interactions energy: -1476.150 where: short stacking energy: -718.294 Base-Backbone interact. energy: -4.245 local terms energy: -840.682200 where: bonds (distance) C4'-P energy: -174.368 bonds (distance) P-C4' energy: -171.668 flat angles C4'-P-C4' energy: -180.950 flat angles P-C4'-P energy: -113.685 tors. eta vs tors. theta energy: -200.011 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: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1960.234568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.234568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.234568 (E_RNA) where: Base-Base interactions energy: -1213.473 where: short stacking energy: -608.927 Base-Backbone interact. energy: -2.596 local terms energy: -744.164917 where: bonds (distance) C4'-P energy: -155.552 bonds (distance) P-C4' energy: -167.113 flat angles C4'-P-C4' energy: -184.672 flat angles P-C4'-P energy: -98.050 tors. eta vs tors. theta energy: -138.777 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: 6, replica: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1655.904951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.904951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.904951 (E_RNA) where: Base-Base interactions energy: -1046.460 where: short stacking energy: -536.854 Base-Backbone interact. energy: 2.286 local terms energy: -611.730950 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -143.222 flat angles C4'-P-C4' energy: -162.159 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -93.002 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1623.767129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.767129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.767129 (E_RNA) where: Base-Base interactions energy: -1014.170 where: short stacking energy: -495.263 Base-Backbone interact. energy: 6.661 local terms energy: -616.257926 where: bonds (distance) C4'-P energy: -145.284 bonds (distance) P-C4' energy: -143.925 flat angles C4'-P-C4' energy: -149.323 flat angles P-C4'-P energy: -94.304 tors. eta vs tors. theta energy: -83.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1538.527474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.527474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.527474 (E_RNA) where: Base-Base interactions energy: -932.837 where: short stacking energy: -461.357 Base-Backbone interact. energy: -7.364 local terms energy: -598.326489 where: bonds (distance) C4'-P energy: -148.249 bonds (distance) P-C4' energy: -140.335 flat angles C4'-P-C4' energy: -170.252 flat angles P-C4'-P energy: -79.711 tors. eta vs tors. theta energy: -59.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1028.854851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.854851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.854851 (E_RNA) where: Base-Base interactions energy: -516.943 where: short stacking energy: -297.822 Base-Backbone interact. energy: 7.250 local terms energy: -519.161582 where: bonds (distance) C4'-P energy: -136.035 bonds (distance) P-C4' energy: -153.942 flat angles C4'-P-C4' energy: -134.979 flat angles P-C4'-P energy: -97.651 tors. eta vs tors. theta energy: 3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -997.925618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.925618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.925618 (E_RNA) where: Base-Base interactions energy: -527.093 where: short stacking energy: -282.676 Base-Backbone interact. energy: -1.030 local terms energy: -469.802050 where: bonds (distance) C4'-P energy: -143.923 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -104.453 flat angles P-C4'-P energy: -89.550 tors. eta vs tors. theta energy: 4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2853.847608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.847608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.847608 (E_RNA) where: Base-Base interactions energy: -1939.191 where: short stacking energy: -882.525 Base-Backbone interact. energy: -3.869 local terms energy: -910.787380 where: bonds (distance) C4'-P energy: -167.931 bonds (distance) P-C4' energy: -178.186 flat angles C4'-P-C4' energy: -200.451 flat angles P-C4'-P energy: -134.975 tors. eta vs tors. theta energy: -229.245 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: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2716.885248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.885248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.885248 (E_RNA) where: Base-Base interactions energy: -1832.975 where: short stacking energy: -788.026 Base-Backbone interact. energy: -10.086 local terms energy: -873.824159 where: bonds (distance) C4'-P energy: -177.941 bonds (distance) P-C4' energy: -161.821 flat angles C4'-P-C4' energy: -200.722 flat angles P-C4'-P energy: -138.390 tors. eta vs tors. theta energy: -194.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2520.749009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.749009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.749009 (E_RNA) where: Base-Base interactions energy: -1679.081 where: short stacking energy: -755.371 Base-Backbone interact. energy: -3.472 local terms energy: -838.196210 where: bonds (distance) C4'-P energy: -175.517 bonds (distance) P-C4' energy: -163.211 flat angles C4'-P-C4' energy: -186.107 flat angles P-C4'-P energy: -116.935 tors. eta vs tors. theta energy: -196.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2246.150957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.150957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.150957 (E_RNA) where: Base-Base interactions energy: -1426.582 where: short stacking energy: -675.029 Base-Backbone interact. energy: -3.792 local terms energy: -815.776663 where: bonds (distance) C4'-P energy: -166.037 bonds (distance) P-C4' energy: -171.105 flat angles C4'-P-C4' energy: -196.883 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -159.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1943.727836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.727836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.727836 (E_RNA) where: Base-Base interactions energy: -1215.592 where: short stacking energy: -606.507 Base-Backbone interact. energy: -3.877 local terms energy: -724.259125 where: bonds (distance) C4'-P energy: -183.403 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -177.699 flat angles P-C4'-P energy: -92.432 tors. eta vs tors. theta energy: -115.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1764.346422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.346422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.346422 (E_RNA) where: Base-Base interactions energy: -1101.042 where: short stacking energy: -573.955 Base-Backbone interact. energy: -2.799 local terms energy: -660.505470 where: bonds (distance) C4'-P energy: -153.381 bonds (distance) P-C4' energy: -148.151 flat angles C4'-P-C4' energy: -144.172 flat angles P-C4'-P energy: -98.679 tors. eta vs tors. theta energy: -116.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1576.612114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.612114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.612114 (E_RNA) where: Base-Base interactions energy: -950.525 where: short stacking energy: -472.886 Base-Backbone interact. energy: -6.732 local terms energy: -619.354684 where: bonds (distance) C4'-P energy: -142.836 bonds (distance) P-C4' energy: -149.801 flat angles C4'-P-C4' energy: -160.870 flat angles P-C4'-P energy: -86.542 tors. eta vs tors. theta energy: -79.305 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: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1490.572297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.572297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.572297 (E_RNA) where: Base-Base interactions energy: -878.477 where: short stacking energy: -413.415 Base-Backbone interact. energy: 8.526 local terms energy: -620.621643 where: bonds (distance) C4'-P energy: -169.496 bonds (distance) P-C4' energy: -159.618 flat angles C4'-P-C4' energy: -153.852 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -55.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1051.742178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.742178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.742178 (E_RNA) where: Base-Base interactions energy: -514.650 where: short stacking energy: -296.944 Base-Backbone interact. energy: 4.421 local terms energy: -541.512458 where: bonds (distance) C4'-P energy: -150.475 bonds (distance) P-C4' energy: -151.555 flat angles C4'-P-C4' energy: -153.708 flat angles P-C4'-P energy: -76.663 tors. eta vs tors. theta energy: -9.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -943.297719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.297719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.297719 (E_RNA) where: Base-Base interactions energy: -453.756 where: short stacking energy: -264.366 Base-Backbone interact. energy: 2.610 local terms energy: -492.152327 where: bonds (distance) C4'-P energy: -126.415 bonds (distance) P-C4' energy: -164.406 flat angles C4'-P-C4' energy: -136.024 flat angles P-C4'-P energy: -63.714 tors. eta vs tors. theta energy: -1.593 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: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2842.917162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.917162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.917162 (E_RNA) where: Base-Base interactions energy: -1910.898 where: short stacking energy: -895.938 Base-Backbone interact. energy: -4.896 local terms energy: -927.124007 where: bonds (distance) C4'-P energy: -175.913 bonds (distance) P-C4' energy: -181.843 flat angles C4'-P-C4' energy: -200.596 flat angles P-C4'-P energy: -127.931 tors. eta vs tors. theta energy: -240.841 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: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2704.074304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.074304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.074304 (E_RNA) where: Base-Base interactions energy: -1812.966 where: short stacking energy: -798.829 Base-Backbone interact. energy: -3.743 local terms energy: -887.364999 where: bonds (distance) C4'-P energy: -168.066 bonds (distance) P-C4' energy: -189.221 flat angles C4'-P-C4' energy: -192.803 flat angles P-C4'-P energy: -134.537 tors. eta vs tors. theta energy: -202.737 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2576.845290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.845290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.845290 (E_RNA) where: Base-Base interactions energy: -1691.295 where: short stacking energy: -815.465 Base-Backbone interact. energy: -2.216 local terms energy: -883.334369 where: bonds (distance) C4'-P energy: -160.606 bonds (distance) P-C4' energy: -176.885 flat angles C4'-P-C4' energy: -202.567 flat angles P-C4'-P energy: -128.257 tors. eta vs tors. theta energy: -215.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2237.063385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.063385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.063385 (E_RNA) where: Base-Base interactions energy: -1437.092 where: short stacking energy: -702.536 Base-Backbone interact. energy: -3.940 local terms energy: -796.031571 where: bonds (distance) C4'-P energy: -167.003 bonds (distance) P-C4' energy: -157.983 flat angles C4'-P-C4' energy: -189.308 flat angles P-C4'-P energy: -115.721 tors. eta vs tors. theta energy: -166.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2049.526300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.526300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.526300 (E_RNA) where: Base-Base interactions energy: -1299.307 where: short stacking energy: -635.171 Base-Backbone interact. energy: -0.686 local terms energy: -749.533547 where: bonds (distance) C4'-P energy: -155.957 bonds (distance) P-C4' energy: -156.147 flat angles C4'-P-C4' energy: -182.639 flat angles P-C4'-P energy: -115.927 tors. eta vs tors. theta energy: -138.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1736.445693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.445693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.445693 (E_RNA) where: Base-Base interactions energy: -1042.481 where: short stacking energy: -558.562 Base-Backbone interact. energy: 2.509 local terms energy: -696.473634 where: bonds (distance) C4'-P energy: -161.568 bonds (distance) P-C4' energy: -140.799 flat angles C4'-P-C4' energy: -172.041 flat angles P-C4'-P energy: -108.621 tors. eta vs tors. theta energy: -113.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1617.401569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.401569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.401569 (E_RNA) where: Base-Base interactions energy: -947.692 where: short stacking energy: -475.463 Base-Backbone interact. energy: -4.425 local terms energy: -665.284694 where: bonds (distance) C4'-P energy: -157.699 bonds (distance) P-C4' energy: -176.339 flat angles C4'-P-C4' energy: -165.588 flat angles P-C4'-P energy: -82.029 tors. eta vs tors. theta energy: -83.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1569.878875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.878875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.878875 (E_RNA) where: Base-Base interactions energy: -967.713 where: short stacking energy: -483.290 Base-Backbone interact. energy: 2.734 local terms energy: -604.900277 where: bonds (distance) C4'-P energy: -159.315 bonds (distance) P-C4' energy: -162.761 flat angles C4'-P-C4' energy: -129.572 flat angles P-C4'-P energy: -84.601 tors. eta vs tors. theta energy: -68.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1070.505242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.505242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.505242 (E_RNA) where: Base-Base interactions energy: -556.290 where: short stacking energy: -324.879 Base-Backbone interact. energy: 1.480 local terms energy: -515.694751 where: bonds (distance) C4'-P energy: -144.037 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -130.881 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -918.381040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.381040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.381040 (E_RNA) where: Base-Base interactions energy: -411.066 where: short stacking energy: -259.852 Base-Backbone interact. energy: 3.184 local terms energy: -510.499489 where: bonds (distance) C4'-P energy: -164.139 bonds (distance) P-C4' energy: -153.866 flat angles C4'-P-C4' energy: -118.873 flat angles P-C4'-P energy: -73.527 tors. eta vs tors. theta energy: -0.094 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: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2881.208567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.208567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.208567 (E_RNA) where: Base-Base interactions energy: -1921.008 where: short stacking energy: -890.513 Base-Backbone interact. energy: -7.630 local terms energy: -952.570902 where: bonds (distance) C4'-P energy: -184.244 bonds (distance) P-C4' energy: -175.235 flat angles C4'-P-C4' energy: -205.926 flat angles P-C4'-P energy: -137.603 tors. eta vs tors. theta energy: -249.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2710.388417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.388417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.388417 (E_RNA) where: Base-Base interactions energy: -1825.445 where: short stacking energy: -812.268 Base-Backbone interact. energy: -8.148 local terms energy: -876.794777 where: bonds (distance) C4'-P energy: -171.236 bonds (distance) P-C4' energy: -189.516 flat angles C4'-P-C4' energy: -197.244 flat angles P-C4'-P energy: -123.166 tors. eta vs tors. theta energy: -195.632 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: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2654.854981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.854981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.854981 (E_RNA) where: Base-Base interactions energy: -1735.219 where: short stacking energy: -838.257 Base-Backbone interact. energy: -5.197 local terms energy: -914.439095 where: bonds (distance) C4'-P energy: -173.400 bonds (distance) P-C4' energy: -187.537 flat angles C4'-P-C4' energy: -197.521 flat angles P-C4'-P energy: -123.905 tors. eta vs tors. theta energy: -232.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2236.066099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.066099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.066099 (E_RNA) where: Base-Base interactions energy: -1422.072 where: short stacking energy: -704.924 Base-Backbone interact. energy: 3.756 local terms energy: -817.750201 where: bonds (distance) C4'-P energy: -163.176 bonds (distance) P-C4' energy: -178.882 flat angles C4'-P-C4' energy: -176.660 flat angles P-C4'-P energy: -117.204 tors. eta vs tors. theta energy: -181.828 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: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2052.286279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.286279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.286279 (E_RNA) where: Base-Base interactions energy: -1296.479 where: short stacking energy: -633.496 Base-Backbone interact. energy: -4.466 local terms energy: -751.340744 where: bonds (distance) C4'-P energy: -172.144 bonds (distance) P-C4' energy: -144.586 flat angles C4'-P-C4' energy: -183.446 flat angles P-C4'-P energy: -106.899 tors. eta vs tors. theta energy: -144.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1717.089686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.089686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.089686 (E_RNA) where: Base-Base interactions energy: -1059.264 where: short stacking energy: -525.375 Base-Backbone interact. energy: -2.729 local terms energy: -655.096232 where: bonds (distance) C4'-P energy: -144.530 bonds (distance) P-C4' energy: -156.729 flat angles C4'-P-C4' energy: -165.080 flat angles P-C4'-P energy: -86.002 tors. eta vs tors. theta energy: -102.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1605.224051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.224051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.224051 (E_RNA) where: Base-Base interactions energy: -949.873 where: short stacking energy: -469.494 Base-Backbone interact. energy: -6.038 local terms energy: -649.312953 where: bonds (distance) C4'-P energy: -127.604 bonds (distance) P-C4' energy: -168.888 flat angles C4'-P-C4' energy: -156.427 flat angles P-C4'-P energy: -115.417 tors. eta vs tors. theta energy: -80.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1441.543907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.543907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.543907 (E_RNA) where: Base-Base interactions energy: -863.835 where: short stacking energy: -417.051 Base-Backbone interact. energy: 11.665 local terms energy: -589.373330 where: bonds (distance) C4'-P energy: -180.180 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -138.900 flat angles P-C4'-P energy: -79.199 tors. eta vs tors. theta energy: -28.675 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: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -987.553957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.553957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.553957 (E_RNA) where: Base-Base interactions energy: -471.248 where: short stacking energy: -292.187 Base-Backbone interact. energy: 6.655 local terms energy: -522.960940 where: bonds (distance) C4'-P energy: -138.052 bonds (distance) P-C4' energy: -168.455 flat angles C4'-P-C4' energy: -132.698 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: -18.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1009.705095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.705095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.705095 (E_RNA) where: Base-Base interactions energy: -542.995 where: short stacking energy: -286.455 Base-Backbone interact. energy: 0.932 local terms energy: -467.641978 where: bonds (distance) C4'-P energy: -120.468 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -131.771 flat angles P-C4'-P energy: -68.742 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: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2845.178612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.178612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.178612 (E_RNA) where: Base-Base interactions energy: -1889.020 where: short stacking energy: -910.802 Base-Backbone interact. energy: 0.143 local terms energy: -956.301256 where: bonds (distance) C4'-P energy: -187.703 bonds (distance) P-C4' energy: -179.943 flat angles C4'-P-C4' energy: -197.793 flat angles P-C4'-P energy: -140.063 tors. eta vs tors. theta energy: -250.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2692.068962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.068962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.068962 (E_RNA) where: Base-Base interactions energy: -1790.778 where: short stacking energy: -773.116 Base-Backbone interact. energy: -5.460 local terms energy: -895.831066 where: bonds (distance) C4'-P energy: -187.679 bonds (distance) P-C4' energy: -181.601 flat angles C4'-P-C4' energy: -200.011 flat angles P-C4'-P energy: -112.984 tors. eta vs tors. theta energy: -213.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2699.186267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.186267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.186267 (E_RNA) where: Base-Base interactions energy: -1787.249 where: short stacking energy: -844.147 Base-Backbone interact. energy: -3.715 local terms energy: -908.221997 where: bonds (distance) C4'-P energy: -183.093 bonds (distance) P-C4' energy: -174.838 flat angles C4'-P-C4' energy: -192.888 flat angles P-C4'-P energy: -126.728 tors. eta vs tors. theta energy: -230.675 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: 64 Temperature: 1.050000 Total energy: -2206.924413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.924413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.924413 (E_RNA) where: Base-Base interactions energy: -1387.460 where: short stacking energy: -686.347 Base-Backbone interact. energy: -0.719 local terms energy: -818.744739 where: bonds (distance) C4'-P energy: -163.991 bonds (distance) P-C4' energy: -179.028 flat angles C4'-P-C4' energy: -190.876 flat angles P-C4'-P energy: -103.023 tors. eta vs tors. theta energy: -181.828 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: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2068.424161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.424161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.424161 (E_RNA) where: Base-Base interactions energy: -1304.011 where: short stacking energy: -630.973 Base-Backbone interact. energy: 1.650 local terms energy: -766.063780 where: bonds (distance) C4'-P energy: -164.670 bonds (distance) P-C4' energy: -180.510 flat angles C4'-P-C4' energy: -169.506 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -146.711 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: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1784.906237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.906237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.906237 (E_RNA) where: Base-Base interactions energy: -1088.877 where: short stacking energy: -536.388 Base-Backbone interact. energy: -1.002 local terms energy: -695.027558 where: bonds (distance) C4'-P energy: -155.991 bonds (distance) P-C4' energy: -155.477 flat angles C4'-P-C4' energy: -164.815 flat angles P-C4'-P energy: -111.554 tors. eta vs tors. theta energy: -107.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1658.010118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.010118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.010118 (E_RNA) where: Base-Base interactions energy: -1000.361 where: short stacking energy: -487.834 Base-Backbone interact. energy: -1.411 local terms energy: -656.237744 where: bonds (distance) C4'-P energy: -150.626 bonds (distance) P-C4' energy: -171.654 flat angles C4'-P-C4' energy: -153.128 flat angles P-C4'-P energy: -95.799 tors. eta vs tors. theta energy: -85.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1404.834511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.834511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.834511 (E_RNA) where: Base-Base interactions energy: -853.776 where: short stacking energy: -436.779 Base-Backbone interact. energy: -2.445 local terms energy: -548.613055 where: bonds (distance) C4'-P energy: -165.990 bonds (distance) P-C4' energy: -135.510 flat angles C4'-P-C4' energy: -132.692 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -47.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1082.650412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.650412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.650412 (E_RNA) where: Base-Base interactions energy: -584.970 where: short stacking energy: -342.436 Base-Backbone interact. energy: 4.826 local terms energy: -502.505846 where: bonds (distance) C4'-P energy: -134.992 bonds (distance) P-C4' energy: -153.164 flat angles C4'-P-C4' energy: -141.870 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -10.574 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -947.366763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.366763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.366763 (E_RNA) where: Base-Base interactions energy: -492.641 where: short stacking energy: -282.082 Base-Backbone interact. energy: -0.671 local terms energy: -454.054810 where: bonds (distance) C4'-P energy: -136.905 bonds (distance) P-C4' energy: -146.640 flat angles C4'-P-C4' energy: -119.940 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: 5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2828.028152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.028152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.028152 (E_RNA) where: Base-Base interactions energy: -1858.873 where: short stacking energy: -864.646 Base-Backbone interact. energy: -3.482 local terms energy: -965.672446 where: bonds (distance) C4'-P energy: -192.533 bonds (distance) P-C4' energy: -183.268 flat angles C4'-P-C4' energy: -213.374 flat angles P-C4'-P energy: -136.546 tors. eta vs tors. theta energy: -239.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2733.032048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.032048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.032048 (E_RNA) where: Base-Base interactions energy: -1819.574 where: short stacking energy: -810.807 Base-Backbone interact. energy: -7.219 local terms energy: -906.238764 where: bonds (distance) C4'-P energy: -184.955 bonds (distance) P-C4' energy: -176.725 flat angles C4'-P-C4' energy: -202.837 flat angles P-C4'-P energy: -137.023 tors. eta vs tors. theta energy: -204.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2600.682224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.682224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.682224 (E_RNA) where: Base-Base interactions energy: -1705.987 where: short stacking energy: -805.835 Base-Backbone interact. energy: -2.787 local terms energy: -891.908405 where: bonds (distance) C4'-P energy: -171.924 bonds (distance) P-C4' energy: -163.430 flat angles C4'-P-C4' energy: -210.955 flat angles P-C4'-P energy: -123.091 tors. eta vs tors. theta energy: -222.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2225.967340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.967340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.967340 (E_RNA) where: Base-Base interactions energy: -1411.577 where: short stacking energy: -710.379 Base-Backbone interact. energy: 1.275 local terms energy: -815.664949 where: bonds (distance) C4'-P energy: -150.855 bonds (distance) P-C4' energy: -165.273 flat angles C4'-P-C4' energy: -193.435 flat angles P-C4'-P energy: -126.247 tors. eta vs tors. theta energy: -179.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2078.060717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.060717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.060717 (E_RNA) where: Base-Base interactions energy: -1341.472 where: short stacking energy: -631.412 Base-Backbone interact. energy: -3.339 local terms energy: -733.249826 where: bonds (distance) C4'-P energy: -159.805 bonds (distance) P-C4' energy: -172.431 flat angles C4'-P-C4' energy: -159.626 flat angles P-C4'-P energy: -94.887 tors. eta vs tors. theta energy: -146.501 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: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1720.037874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.037874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.037874 (E_RNA) where: Base-Base interactions energy: -1059.682 where: short stacking energy: -559.439 Base-Backbone interact. energy: 0.458 local terms energy: -660.813674 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -160.820 flat angles C4'-P-C4' energy: -154.675 flat angles P-C4'-P energy: -97.806 tors. eta vs tors. theta energy: -107.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1514.208143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.208143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.208143 (E_RNA) where: Base-Base interactions energy: -859.160 where: short stacking energy: -454.526 Base-Backbone interact. energy: -0.148 local terms energy: -654.900343 where: bonds (distance) C4'-P energy: -161.530 bonds (distance) P-C4' energy: -154.416 flat angles C4'-P-C4' energy: -173.929 flat angles P-C4'-P energy: -106.466 tors. eta vs tors. theta energy: -58.558 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: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1382.946119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.946119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.946119 (E_RNA) where: Base-Base interactions energy: -838.691 where: short stacking energy: -386.788 Base-Backbone interact. energy: -3.860 local terms energy: -540.395376 where: bonds (distance) C4'-P energy: -141.817 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -140.735 flat angles P-C4'-P energy: -85.041 tors. eta vs tors. theta energy: -33.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1162.914386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.914386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.914386 (E_RNA) where: Base-Base interactions energy: -658.592 where: short stacking energy: -345.863 Base-Backbone interact. energy: 1.569 local terms energy: -505.890912 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -144.199 flat angles C4'-P-C4' energy: -127.312 flat angles P-C4'-P energy: -98.699 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1016.299649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.299649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.299649 (E_RNA) where: Base-Base interactions energy: -540.591 where: short stacking energy: -295.521 Base-Backbone interact. energy: 6.290 local terms energy: -481.998294 where: bonds (distance) C4'-P energy: -149.507 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -124.291 flat angles P-C4'-P energy: -61.208 tors. eta vs tors. theta energy: 8.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2859.592820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.592820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.592820 (E_RNA) where: Base-Base interactions energy: -1907.146 where: short stacking energy: -860.642 Base-Backbone interact. energy: -6.881 local terms energy: -945.565380 where: bonds (distance) C4'-P energy: -170.118 bonds (distance) P-C4' energy: -195.009 flat angles C4'-P-C4' energy: -203.523 flat angles P-C4'-P energy: -141.694 tors. eta vs tors. theta energy: -235.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2717.528009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.528009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.528009 (E_RNA) where: Base-Base interactions energy: -1845.748 where: short stacking energy: -802.585 Base-Backbone interact. energy: -6.856 local terms energy: -864.924053 where: bonds (distance) C4'-P energy: -163.232 bonds (distance) P-C4' energy: -184.179 flat angles C4'-P-C4' energy: -183.275 flat angles P-C4'-P energy: -129.402 tors. eta vs tors. theta energy: -204.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2599.747405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.747405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.747405 (E_RNA) where: Base-Base interactions energy: -1735.481 where: short stacking energy: -800.529 Base-Backbone interact. energy: -4.701 local terms energy: -859.565807 where: bonds (distance) C4'-P energy: -161.635 bonds (distance) P-C4' energy: -181.241 flat angles C4'-P-C4' energy: -186.426 flat angles P-C4'-P energy: -106.531 tors. eta vs tors. theta energy: -223.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2236.135478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.135478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.135478 (E_RNA) where: Base-Base interactions energy: -1430.415 where: short stacking energy: -695.339 Base-Backbone interact. energy: -0.211 local terms energy: -805.508800 where: bonds (distance) C4'-P energy: -175.084 bonds (distance) P-C4' energy: -176.460 flat angles C4'-P-C4' energy: -173.530 flat angles P-C4'-P energy: -107.991 tors. eta vs tors. theta energy: -172.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2043.490740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.490740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.490740 (E_RNA) where: Base-Base interactions energy: -1294.518 where: short stacking energy: -597.275 Base-Backbone interact. energy: -3.976 local terms energy: -744.996588 where: bonds (distance) C4'-P energy: -148.078 bonds (distance) P-C4' energy: -175.492 flat angles C4'-P-C4' energy: -168.554 flat angles P-C4'-P energy: -110.445 tors. eta vs tors. theta energy: -142.427 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: 9 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1684.196094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.196094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.196094 (E_RNA) where: Base-Base interactions energy: -1000.951 where: short stacking energy: -505.977 Base-Backbone interact. energy: -5.198 local terms energy: -678.047182 where: bonds (distance) C4'-P energy: -150.389 bonds (distance) P-C4' energy: -160.208 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -110.915 tors. eta vs tors. theta energy: -105.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1558.368575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.368575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.368575 (E_RNA) where: Base-Base interactions energy: -924.313 where: short stacking energy: -495.756 Base-Backbone interact. energy: -4.596 local terms energy: -629.459449 where: bonds (distance) C4'-P energy: -143.838 bonds (distance) P-C4' energy: -141.459 flat angles C4'-P-C4' energy: -166.936 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -94.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1410.752880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.752880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.752880 (E_RNA) where: Base-Base interactions energy: -814.516 where: short stacking energy: -417.434 Base-Backbone interact. energy: -0.172 local terms energy: -596.065391 where: bonds (distance) C4'-P energy: -139.982 bonds (distance) P-C4' energy: -167.311 flat angles C4'-P-C4' energy: -155.088 flat angles P-C4'-P energy: -64.122 tors. eta vs tors. theta energy: -69.562 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: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1084.767850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.767850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.767850 (E_RNA) where: Base-Base interactions energy: -595.105 where: short stacking energy: -325.655 Base-Backbone interact. energy: 2.267 local terms energy: -491.930035 where: bonds (distance) C4'-P energy: -144.058 bonds (distance) P-C4' energy: -152.409 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -83.724 tors. eta vs tors. theta energy: 3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1071.355148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.355148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.355148 (E_RNA) where: Base-Base interactions energy: -580.298 where: short stacking energy: -302.846 Base-Backbone interact. energy: 4.549 local terms energy: -495.605595 where: bonds (distance) C4'-P energy: -140.309 bonds (distance) P-C4' energy: -158.587 flat angles C4'-P-C4' energy: -139.632 flat angles P-C4'-P energy: -63.702 tors. eta vs tors. theta energy: 6.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2873.721624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.721624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.721624 (E_RNA) where: Base-Base interactions energy: -1922.110 where: short stacking energy: -859.214 Base-Backbone interact. energy: -3.195 local terms energy: -948.416273 where: bonds (distance) C4'-P energy: -167.678 bonds (distance) P-C4' energy: -187.882 flat angles C4'-P-C4' energy: -221.062 flat angles P-C4'-P energy: -138.191 tors. eta vs tors. theta energy: -233.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2723.203407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.203407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.203407 (E_RNA) where: Base-Base interactions energy: -1799.281 where: short stacking energy: -792.718 Base-Backbone interact. energy: -0.910 local terms energy: -923.013156 where: bonds (distance) C4'-P energy: -198.685 bonds (distance) P-C4' energy: -180.625 flat angles C4'-P-C4' energy: -195.703 flat angles P-C4'-P energy: -123.533 tors. eta vs tors. theta energy: -224.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2668.980756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.980756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.980756 (E_RNA) where: Base-Base interactions energy: -1763.713 where: short stacking energy: -809.923 Base-Backbone interact. energy: -2.976 local terms energy: -902.292468 where: bonds (distance) C4'-P energy: -172.160 bonds (distance) P-C4' energy: -176.771 flat angles C4'-P-C4' energy: -204.609 flat angles P-C4'-P energy: -124.962 tors. eta vs tors. theta energy: -223.790 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: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2203.204647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.204647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.204647 (E_RNA) where: Base-Base interactions energy: -1417.443 where: short stacking energy: -670.465 Base-Backbone interact. energy: -0.434 local terms energy: -785.327682 where: bonds (distance) C4'-P energy: -161.674 bonds (distance) P-C4' energy: -171.460 flat angles C4'-P-C4' energy: -178.727 flat angles P-C4'-P energy: -112.551 tors. eta vs tors. theta energy: -160.916 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2065.231887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.231887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.231887 (E_RNA) where: Base-Base interactions energy: -1312.613 where: short stacking energy: -643.758 Base-Backbone interact. energy: -2.150 local terms energy: -750.469160 where: bonds (distance) C4'-P energy: -135.275 bonds (distance) P-C4' energy: -188.595 flat angles C4'-P-C4' energy: -181.197 flat angles P-C4'-P energy: -97.321 tors. eta vs tors. theta energy: -148.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1715.590696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.590696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.590696 (E_RNA) where: Base-Base interactions energy: -1026.620 where: short stacking energy: -523.446 Base-Backbone interact. energy: -1.571 local terms energy: -687.399291 where: bonds (distance) C4'-P energy: -166.279 bonds (distance) P-C4' energy: -151.681 flat angles C4'-P-C4' energy: -175.805 flat angles P-C4'-P energy: -94.378 tors. eta vs tors. theta energy: -99.256 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: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1620.911805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.911805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.911805 (E_RNA) where: Base-Base interactions energy: -985.189 where: short stacking energy: -507.070 Base-Backbone interact. energy: -4.751 local terms energy: -630.972360 where: bonds (distance) C4'-P energy: -156.080 bonds (distance) P-C4' energy: -140.354 flat angles C4'-P-C4' energy: -159.940 flat angles P-C4'-P energy: -86.946 tors. eta vs tors. theta energy: -87.652 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: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1363.045822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.045822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.045822 (E_RNA) where: Base-Base interactions energy: -771.460 where: short stacking energy: -387.429 Base-Backbone interact. energy: -0.767 local terms energy: -590.818702 where: bonds (distance) C4'-P energy: -155.470 bonds (distance) P-C4' energy: -163.968 flat angles C4'-P-C4' energy: -143.470 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: -46.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1065.612728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.612728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.612728 (E_RNA) where: Base-Base interactions energy: -559.977 where: short stacking energy: -327.479 Base-Backbone interact. energy: 2.224 local terms energy: -507.860371 where: bonds (distance) C4'-P energy: -124.759 bonds (distance) P-C4' energy: -144.469 flat angles C4'-P-C4' energy: -165.905 flat angles P-C4'-P energy: -77.758 tors. eta vs tors. theta energy: 5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1022.641051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.641051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.641051 (E_RNA) where: Base-Base interactions energy: -568.613 where: short stacking energy: -281.035 Base-Backbone interact. energy: 3.092 local terms energy: -457.119710 where: bonds (distance) C4'-P energy: -120.737 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -135.221 flat angles P-C4'-P energy: -76.013 tors. eta vs tors. theta energy: 16.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2896.459018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.459018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.459018 (E_RNA) where: Base-Base interactions energy: -1972.768 where: short stacking energy: -853.952 Base-Backbone interact. energy: -5.932 local terms energy: -917.758985 where: bonds (distance) C4'-P energy: -180.890 bonds (distance) P-C4' energy: -178.163 flat angles C4'-P-C4' energy: -202.371 flat angles P-C4'-P energy: -127.846 tors. eta vs tors. theta energy: -228.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2703.736341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.736341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.736341 (E_RNA) where: Base-Base interactions energy: -1802.945 where: short stacking energy: -782.936 Base-Backbone interact. energy: -6.581 local terms energy: -894.209680 where: bonds (distance) C4'-P energy: -169.887 bonds (distance) P-C4' energy: -186.759 flat angles C4'-P-C4' energy: -198.247 flat angles P-C4'-P energy: -129.608 tors. eta vs tors. theta energy: -209.709 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: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2692.493228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.493228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.493228 (E_RNA) where: Base-Base interactions energy: -1780.212 where: short stacking energy: -822.300 Base-Backbone interact. energy: -3.927 local terms energy: -908.354401 where: bonds (distance) C4'-P energy: -176.970 bonds (distance) P-C4' energy: -175.653 flat angles C4'-P-C4' energy: -209.737 flat angles P-C4'-P energy: -114.302 tors. eta vs tors. theta energy: -231.692 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: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2234.726443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.726443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.726443 (E_RNA) where: Base-Base interactions energy: -1422.854 where: short stacking energy: -685.312 Base-Backbone interact. energy: -4.764 local terms energy: -807.108328 where: bonds (distance) C4'-P energy: -155.563 bonds (distance) P-C4' energy: -184.325 flat angles C4'-P-C4' energy: -168.666 flat angles P-C4'-P energy: -123.911 tors. eta vs tors. theta energy: -174.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1952.319276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.319276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.319276 (E_RNA) where: Base-Base interactions energy: -1224.359 where: short stacking energy: -625.673 Base-Backbone interact. energy: 6.444 local terms energy: -734.403774 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -167.163 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -116.712 tors. eta vs tors. theta energy: -134.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1665.162582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.162582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.162582 (E_RNA) where: Base-Base interactions energy: -956.674 where: short stacking energy: -476.266 Base-Backbone interact. energy: -2.314 local terms energy: -706.174545 where: bonds (distance) C4'-P energy: -176.126 bonds (distance) P-C4' energy: -173.268 flat angles C4'-P-C4' energy: -170.020 flat angles P-C4'-P energy: -84.213 tors. eta vs tors. theta energy: -102.547 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: 7, replica: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1586.490541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.490541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.490541 (E_RNA) where: Base-Base interactions energy: -956.943 where: short stacking energy: -495.141 Base-Backbone interact. energy: -1.715 local terms energy: -627.832328 where: bonds (distance) C4'-P energy: -160.405 bonds (distance) P-C4' energy: -155.105 flat angles C4'-P-C4' energy: -157.816 flat angles P-C4'-P energy: -79.584 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1357.591356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.591356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.591356 (E_RNA) where: Base-Base interactions energy: -768.721 where: short stacking energy: -393.030 Base-Backbone interact. energy: 0.560 local terms energy: -589.430568 where: bonds (distance) C4'-P energy: -155.135 bonds (distance) P-C4' energy: -151.402 flat angles C4'-P-C4' energy: -141.264 flat angles P-C4'-P energy: -98.773 tors. eta vs tors. theta energy: -42.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1233.194558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.194558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.194558 (E_RNA) where: Base-Base interactions energy: -688.354 where: short stacking energy: -342.278 Base-Backbone interact. energy: 0.728 local terms energy: -545.568559 where: bonds (distance) C4'-P energy: -141.119 bonds (distance) P-C4' energy: -157.930 flat angles C4'-P-C4' energy: -140.227 flat angles P-C4'-P energy: -95.347 tors. eta vs tors. theta energy: -10.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -985.848348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.848348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.848348 (E_RNA) where: Base-Base interactions energy: -508.450 where: short stacking energy: -288.743 Base-Backbone interact. energy: -0.391 local terms energy: -477.007236 where: bonds (distance) C4'-P energy: -122.296 bonds (distance) P-C4' energy: -143.477 flat angles C4'-P-C4' energy: -147.022 flat angles P-C4'-P energy: -74.105 tors. eta vs tors. theta energy: 9.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2947.810864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.810864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.810864 (E_RNA) where: Base-Base interactions energy: -1986.851 where: short stacking energy: -898.897 Base-Backbone interact. energy: -5.381 local terms energy: -955.579531 where: bonds (distance) C4'-P energy: -188.158 bonds (distance) P-C4' energy: -192.533 flat angles C4'-P-C4' energy: -203.620 flat angles P-C4'-P energy: -134.797 tors. eta vs tors. theta energy: -236.472 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: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2747.929047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.929047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.929047 (E_RNA) where: Base-Base interactions energy: -1849.103 where: short stacking energy: -832.086 Base-Backbone interact. energy: 1.477 local terms energy: -900.303300 where: bonds (distance) C4'-P energy: -176.530 bonds (distance) P-C4' energy: -173.699 flat angles C4'-P-C4' energy: -187.780 flat angles P-C4'-P energy: -127.274 tors. eta vs tors. theta energy: -235.020 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: 69 Temperature: 1.000000 Total energy: -2648.522254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.522254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.522254 (E_RNA) where: Base-Base interactions energy: -1800.806 where: short stacking energy: -788.715 Base-Backbone interact. energy: -3.020 local terms energy: -844.696310 where: bonds (distance) C4'-P energy: -155.201 bonds (distance) P-C4' energy: -184.047 flat angles C4'-P-C4' energy: -177.985 flat angles P-C4'-P energy: -120.695 tors. eta vs tors. theta energy: -206.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2285.867301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.867301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.867301 (E_RNA) where: Base-Base interactions energy: -1466.159 where: short stacking energy: -694.226 Base-Backbone interact. energy: -0.753 local terms energy: -818.955597 where: bonds (distance) C4'-P energy: -161.747 bonds (distance) P-C4' energy: -178.665 flat angles C4'-P-C4' energy: -166.980 flat angles P-C4'-P energy: -132.410 tors. eta vs tors. theta energy: -179.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1977.821541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.821541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.821541 (E_RNA) where: Base-Base interactions energy: -1223.122 where: short stacking energy: -628.586 Base-Backbone interact. energy: -0.085 local terms energy: -754.614257 where: bonds (distance) C4'-P energy: -168.224 bonds (distance) P-C4' energy: -160.996 flat angles C4'-P-C4' energy: -179.272 flat angles P-C4'-P energy: -113.068 tors. eta vs tors. theta energy: -133.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1699.057346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.057346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.057346 (E_RNA) where: Base-Base interactions energy: -994.732 where: short stacking energy: -515.695 Base-Backbone interact. energy: 3.551 local terms energy: -707.876460 where: bonds (distance) C4'-P energy: -157.334 bonds (distance) P-C4' energy: -163.585 flat angles C4'-P-C4' energy: -175.927 flat angles P-C4'-P energy: -110.497 tors. eta vs tors. theta energy: -100.534 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: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1546.609196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.609196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.609196 (E_RNA) where: Base-Base interactions energy: -925.400 where: short stacking energy: -454.522 Base-Backbone interact. energy: 0.005 local terms energy: -621.214968 where: bonds (distance) C4'-P energy: -140.921 bonds (distance) P-C4' energy: -148.577 flat angles C4'-P-C4' energy: -144.591 flat angles P-C4'-P energy: -95.482 tors. eta vs tors. theta energy: -91.645 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: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1344.099849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.099849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.099849 (E_RNA) where: Base-Base interactions energy: -724.408 where: short stacking energy: -409.646 Base-Backbone interact. energy: 0.444 local terms energy: -620.136308 where: bonds (distance) C4'-P energy: -154.896 bonds (distance) P-C4' energy: -150.278 flat angles C4'-P-C4' energy: -162.914 flat angles P-C4'-P energy: -87.663 tors. eta vs tors. theta energy: -64.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1191.212576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.212576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.212576 (E_RNA) where: Base-Base interactions energy: -667.284 where: short stacking energy: -365.881 Base-Backbone interact. energy: -1.147 local terms energy: -522.781141 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -157.095 flat angles C4'-P-C4' energy: -123.243 flat angles P-C4'-P energy: -69.542 tors. eta vs tors. theta energy: -28.826 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: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1007.930166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.930166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.930166 (E_RNA) where: Base-Base interactions energy: -527.639 where: short stacking energy: -285.926 Base-Backbone interact. energy: -0.186 local terms energy: -480.105378 where: bonds (distance) C4'-P energy: -140.586 bonds (distance) P-C4' energy: -154.865 flat angles C4'-P-C4' energy: -117.472 flat angles P-C4'-P energy: -70.263 tors. eta vs tors. theta energy: 3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2924.336863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.336863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.336863 (E_RNA) where: Base-Base interactions energy: -1961.891 where: short stacking energy: -888.301 Base-Backbone interact. energy: -7.608 local terms energy: -954.837289 where: bonds (distance) C4'-P energy: -179.250 bonds (distance) P-C4' energy: -190.631 flat angles C4'-P-C4' energy: -211.332 flat angles P-C4'-P energy: -126.981 tors. eta vs tors. theta energy: -246.643 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: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2776.692228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.692228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.692228 (E_RNA) where: Base-Base interactions energy: -1863.098 where: short stacking energy: -868.181 Base-Backbone interact. energy: -5.249 local terms energy: -908.345084 where: bonds (distance) C4'-P energy: -165.913 bonds (distance) P-C4' energy: -170.868 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -133.304 tors. eta vs tors. theta energy: -237.083 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: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2614.100516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.100516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.100516 (E_RNA) where: Base-Base interactions energy: -1745.837 where: short stacking energy: -749.076 Base-Backbone interact. energy: -4.395 local terms energy: -863.868137 where: bonds (distance) C4'-P energy: -167.223 bonds (distance) P-C4' energy: -177.429 flat angles C4'-P-C4' energy: -200.493 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -202.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2291.475735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.475735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.475735 (E_RNA) where: Base-Base interactions energy: -1478.599 where: short stacking energy: -687.152 Base-Backbone interact. energy: -1.280 local terms energy: -811.597064 where: bonds (distance) C4'-P energy: -183.007 bonds (distance) P-C4' energy: -160.936 flat angles C4'-P-C4' energy: -194.971 flat angles P-C4'-P energy: -109.250 tors. eta vs tors. theta energy: -163.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2026.992029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.992029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.992029 (E_RNA) where: Base-Base interactions energy: -1274.827 where: short stacking energy: -629.219 Base-Backbone interact. energy: -3.684 local terms energy: -748.481585 where: bonds (distance) C4'-P energy: -163.455 bonds (distance) P-C4' energy: -156.373 flat angles C4'-P-C4' energy: -181.212 flat angles P-C4'-P energy: -112.522 tors. eta vs tors. theta energy: -134.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1747.748626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.748626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.748626 (E_RNA) where: Base-Base interactions energy: -1054.686 where: short stacking energy: -541.262 Base-Backbone interact. energy: -2.153 local terms energy: -690.909789 where: bonds (distance) C4'-P energy: -153.889 bonds (distance) P-C4' energy: -164.980 flat angles C4'-P-C4' energy: -168.000 flat angles P-C4'-P energy: -115.383 tors. eta vs tors. theta energy: -88.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1561.473547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.473547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.473547 (E_RNA) where: Base-Base interactions energy: -893.071 where: short stacking energy: -459.849 Base-Backbone interact. energy: 6.220 local terms energy: -674.622849 where: bonds (distance) C4'-P energy: -152.743 bonds (distance) P-C4' energy: -167.728 flat angles C4'-P-C4' energy: -168.770 flat angles P-C4'-P energy: -108.618 tors. eta vs tors. theta energy: -76.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1309.203242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.203242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.203242 (E_RNA) where: Base-Base interactions energy: -735.519 where: short stacking energy: -392.891 Base-Backbone interact. energy: 0.086 local terms energy: -573.770447 where: bonds (distance) C4'-P energy: -135.506 bonds (distance) P-C4' energy: -164.330 flat angles C4'-P-C4' energy: -134.175 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -41.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1157.712561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.712561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.712561 (E_RNA) where: Base-Base interactions energy: -633.707 where: short stacking energy: -338.215 Base-Backbone interact. energy: 1.537 local terms energy: -525.542301 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -145.724 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -69.519 tors. eta vs tors. theta energy: -24.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -985.060891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.060891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.060891 (E_RNA) where: Base-Base interactions energy: -478.804 where: short stacking energy: -258.416 Base-Backbone interact. energy: 1.088 local terms energy: -507.344254 where: bonds (distance) C4'-P energy: -156.366 bonds (distance) P-C4' energy: -173.415 flat angles C4'-P-C4' energy: -113.758 flat angles P-C4'-P energy: -63.139 tors. eta vs tors. theta energy: -0.667 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: 71 Temperature: 0.900000 Total energy: -2926.898919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.898919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.898919 (E_RNA) where: Base-Base interactions energy: -1966.493 where: short stacking energy: -909.932 Base-Backbone interact. energy: -4.716 local terms energy: -955.689819 where: bonds (distance) C4'-P energy: -191.762 bonds (distance) P-C4' energy: -180.508 flat angles C4'-P-C4' energy: -209.146 flat angles P-C4'-P energy: -130.777 tors. eta vs tors. theta energy: -243.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2787.726839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.726839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.726839 (E_RNA) where: Base-Base interactions energy: -1853.919 where: short stacking energy: -862.373 Base-Backbone interact. energy: -4.716 local terms energy: -929.092109 where: bonds (distance) C4'-P energy: -176.269 bonds (distance) P-C4' energy: -183.501 flat angles C4'-P-C4' energy: -190.047 flat angles P-C4'-P energy: -135.659 tors. eta vs tors. theta energy: -243.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2599.362457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.362457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.362457 (E_RNA) where: Base-Base interactions energy: -1751.207 where: short stacking energy: -770.381 Base-Backbone interact. energy: -8.627 local terms energy: -839.529075 where: bonds (distance) C4'-P energy: -184.900 bonds (distance) P-C4' energy: -162.811 flat angles C4'-P-C4' energy: -181.212 flat angles P-C4'-P energy: -114.576 tors. eta vs tors. theta energy: -196.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2308.795990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.795990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.795990 (E_RNA) where: Base-Base interactions energy: -1476.405 where: short stacking energy: -709.280 Base-Backbone interact. energy: 0.114 local terms energy: -832.504604 where: bonds (distance) C4'-P energy: -163.287 bonds (distance) P-C4' energy: -186.657 flat angles C4'-P-C4' energy: -177.599 flat angles P-C4'-P energy: -110.258 tors. eta vs tors. theta energy: -194.703 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: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2035.554904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.554904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.554904 (E_RNA) where: Base-Base interactions energy: -1286.893 where: short stacking energy: -603.173 Base-Backbone interact. energy: -2.568 local terms energy: -746.093522 where: bonds (distance) C4'-P energy: -155.412 bonds (distance) P-C4' energy: -156.771 flat angles C4'-P-C4' energy: -167.408 flat angles P-C4'-P energy: -124.438 tors. eta vs tors. theta energy: -142.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1797.168734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.168734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.168734 (E_RNA) where: Base-Base interactions energy: -1101.957 where: short stacking energy: -546.602 Base-Backbone interact. energy: -1.767 local terms energy: -693.443948 where: bonds (distance) C4'-P energy: -160.149 bonds (distance) P-C4' energy: -146.254 flat angles C4'-P-C4' energy: -180.848 flat angles P-C4'-P energy: -102.746 tors. eta vs tors. theta energy: -103.446 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: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1506.707447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.707447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.707447 (E_RNA) where: Base-Base interactions energy: -881.794 where: short stacking energy: -438.922 Base-Backbone interact. energy: 3.157 local terms energy: -628.070395 where: bonds (distance) C4'-P energy: -149.680 bonds (distance) P-C4' energy: -171.857 flat angles C4'-P-C4' energy: -144.654 flat angles P-C4'-P energy: -80.701 tors. eta vs tors. theta energy: -81.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1450.701377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.701377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.701377 (E_RNA) where: Base-Base interactions energy: -863.727 where: short stacking energy: -426.402 Base-Backbone interact. energy: 1.018 local terms energy: -587.993059 where: bonds (distance) C4'-P energy: -148.168 bonds (distance) P-C4' energy: -157.744 flat angles C4'-P-C4' energy: -138.558 flat angles P-C4'-P energy: -85.885 tors. eta vs tors. theta energy: -57.638 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: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1192.152432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.152432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.152432 (E_RNA) where: Base-Base interactions energy: -699.364 where: short stacking energy: -348.151 Base-Backbone interact. energy: 1.315 local terms energy: -494.103128 where: bonds (distance) C4'-P energy: -144.449 bonds (distance) P-C4' energy: -140.373 flat angles C4'-P-C4' energy: -125.246 flat angles P-C4'-P energy: -72.231 tors. eta vs tors. theta energy: -11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1080.730747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.730747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.730747 (E_RNA) where: Base-Base interactions energy: -615.356 where: short stacking energy: -335.160 Base-Backbone interact. energy: -2.661 local terms energy: -462.713895 where: bonds (distance) C4'-P energy: -127.913 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -125.847 flat angles P-C4'-P energy: -98.436 tors. eta vs tors. theta energy: 22.778 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: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2886.345847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.345847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.345847 (E_RNA) where: Base-Base interactions energy: -1940.056 where: short stacking energy: -863.590 Base-Backbone interact. energy: -7.084 local terms energy: -939.205913 where: bonds (distance) C4'-P energy: -172.697 bonds (distance) P-C4' energy: -192.257 flat angles C4'-P-C4' energy: -198.697 flat angles P-C4'-P energy: -137.829 tors. eta vs tors. theta energy: -237.725 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: 72 Temperature: 0.950000 Total energy: -2778.138054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.138054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.138054 (E_RNA) where: Base-Base interactions energy: -1823.129 where: short stacking energy: -869.215 Base-Backbone interact. energy: -8.263 local terms energy: -946.745874 where: bonds (distance) C4'-P energy: -173.973 bonds (distance) P-C4' energy: -186.276 flat angles C4'-P-C4' energy: -204.851 flat angles P-C4'-P energy: -146.830 tors. eta vs tors. theta energy: -234.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2604.435046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.435046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.435046 (E_RNA) where: Base-Base interactions energy: -1757.004 where: short stacking energy: -772.347 Base-Backbone interact. energy: 2.957 local terms energy: -850.387738 where: bonds (distance) C4'-P energy: -169.050 bonds (distance) P-C4' energy: -160.734 flat angles C4'-P-C4' energy: -189.924 flat angles P-C4'-P energy: -137.877 tors. eta vs tors. theta energy: -192.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2381.365608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.365608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.365608 (E_RNA) where: Base-Base interactions energy: -1540.948 where: short stacking energy: -721.421 Base-Backbone interact. energy: -2.905 local terms energy: -837.512144 where: bonds (distance) C4'-P energy: -172.644 bonds (distance) P-C4' energy: -165.152 flat angles C4'-P-C4' energy: -177.153 flat angles P-C4'-P energy: -133.204 tors. eta vs tors. theta energy: -189.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2095.069533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.069533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.069533 (E_RNA) where: Base-Base interactions energy: -1344.460 where: short stacking energy: -644.275 Base-Backbone interact. energy: -4.170 local terms energy: -746.439560 where: bonds (distance) C4'-P energy: -171.183 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -177.537 flat angles P-C4'-P energy: -97.120 tors. eta vs tors. theta energy: -150.103 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: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1828.018810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.018810 (E_RNA) where: Base-Base interactions energy: -1151.072 where: short stacking energy: -549.463 Base-Backbone interact. energy: 0.768 local terms energy: -677.714034 where: bonds (distance) C4'-P energy: -147.850 bonds (distance) P-C4' energy: -169.490 flat angles C4'-P-C4' energy: -165.275 flat angles P-C4'-P energy: -86.845 tors. eta vs tors. theta energy: -108.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1669.130439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.130439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.130439 (E_RNA) where: Base-Base interactions energy: -1035.588 where: short stacking energy: -505.484 Base-Backbone interact. energy: -1.708 local terms energy: -631.834038 where: bonds (distance) C4'-P energy: -144.241 bonds (distance) P-C4' energy: -148.951 flat angles C4'-P-C4' energy: -148.176 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -94.825 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: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1397.296567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.296567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.296567 (E_RNA) where: Base-Base interactions energy: -813.985 where: short stacking energy: -419.947 Base-Backbone interact. energy: 0.686 local terms energy: -583.997256 where: bonds (distance) C4'-P energy: -146.587 bonds (distance) P-C4' energy: -161.308 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -89.024 tors. eta vs tors. theta energy: -49.885 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: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1222.136630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.136630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.136630 (E_RNA) where: Base-Base interactions energy: -668.771 where: short stacking energy: -365.436 Base-Backbone interact. energy: -3.760 local terms energy: -549.605568 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -167.365 flat angles C4'-P-C4' energy: -133.347 flat angles P-C4'-P energy: -68.496 tors. eta vs tors. theta energy: -48.743 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: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1012.486562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.486562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.486562 (E_RNA) where: Base-Base interactions energy: -525.290 where: short stacking energy: -271.262 Base-Backbone interact. energy: -2.381 local terms energy: -484.815399 where: bonds (distance) C4'-P energy: -138.006 bonds (distance) P-C4' energy: -166.008 flat angles C4'-P-C4' energy: -127.695 flat angles P-C4'-P energy: -73.249 tors. eta vs tors. theta energy: 20.142 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: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2876.554139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.554139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.554139 (E_RNA) where: Base-Base interactions energy: -1937.348 where: short stacking energy: -888.525 Base-Backbone interact. energy: -3.816 local terms energy: -935.389396 where: bonds (distance) C4'-P energy: -179.900 bonds (distance) P-C4' energy: -188.683 flat angles C4'-P-C4' energy: -198.800 flat angles P-C4'-P energy: -137.703 tors. eta vs tors. theta energy: -230.303 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: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2801.282485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.282485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.282485 (E_RNA) where: Base-Base interactions energy: -1857.615 where: short stacking energy: -859.537 Base-Backbone interact. energy: -7.171 local terms energy: -936.496093 where: bonds (distance) C4'-P energy: -176.603 bonds (distance) P-C4' energy: -182.314 flat angles C4'-P-C4' energy: -202.256 flat angles P-C4'-P energy: -138.661 tors. eta vs tors. theta energy: -236.662 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: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2575.967022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.967022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.967022 (E_RNA) where: Base-Base interactions energy: -1720.971 where: short stacking energy: -772.037 Base-Backbone interact. energy: -0.260 local terms energy: -854.735585 where: bonds (distance) C4'-P energy: -167.729 bonds (distance) P-C4' energy: -163.253 flat angles C4'-P-C4' energy: -201.939 flat angles P-C4'-P energy: -112.917 tors. eta vs tors. theta energy: -208.898 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2408.346366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.346366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.346366 (E_RNA) where: Base-Base interactions energy: -1596.641 where: short stacking energy: -733.508 Base-Backbone interact. energy: -3.323 local terms energy: -808.382666 where: bonds (distance) C4'-P energy: -155.635 bonds (distance) P-C4' energy: -169.672 flat angles C4'-P-C4' energy: -184.400 flat angles P-C4'-P energy: -110.238 tors. eta vs tors. theta energy: -188.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2155.615625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.615625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.615625 (E_RNA) where: Base-Base interactions energy: -1378.115 where: short stacking energy: -676.899 Base-Backbone interact. energy: -2.847 local terms energy: -774.652860 where: bonds (distance) C4'-P energy: -165.933 bonds (distance) P-C4' energy: -163.774 flat angles C4'-P-C4' energy: -165.991 flat angles P-C4'-P energy: -113.778 tors. eta vs tors. theta energy: -165.177 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: 9 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1849.304162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.304162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.304162 (E_RNA) where: Base-Base interactions energy: -1147.724 where: short stacking energy: -566.281 Base-Backbone interact. energy: 0.666 local terms energy: -702.246286 where: bonds (distance) C4'-P energy: -171.165 bonds (distance) P-C4' energy: -152.950 flat angles C4'-P-C4' energy: -160.557 flat angles P-C4'-P energy: -98.760 tors. eta vs tors. theta energy: -118.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1629.734519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.734519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.734519 (E_RNA) where: Base-Base interactions energy: -973.845 where: short stacking energy: -443.658 Base-Backbone interact. energy: -1.175 local terms energy: -654.714254 where: bonds (distance) C4'-P energy: -173.369 bonds (distance) P-C4' energy: -178.338 flat angles C4'-P-C4' energy: -144.649 flat angles P-C4'-P energy: -93.825 tors. eta vs tors. theta energy: -64.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1452.039678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.039678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.039678 (E_RNA) where: Base-Base interactions energy: -824.150 where: short stacking energy: -401.263 Base-Backbone interact. energy: -1.816 local terms energy: -626.073767 where: bonds (distance) C4'-P energy: -148.896 bonds (distance) P-C4' energy: -153.802 flat angles C4'-P-C4' energy: -169.468 flat angles P-C4'-P energy: -83.357 tors. eta vs tors. theta energy: -70.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1227.297690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.297690 (E_RNA) where: Base-Base interactions energy: -694.335 where: short stacking energy: -394.056 Base-Backbone interact. energy: 1.228 local terms energy: -534.191055 where: bonds (distance) C4'-P energy: -132.258 bonds (distance) P-C4' energy: -158.579 flat angles C4'-P-C4' energy: -126.273 flat angles P-C4'-P energy: -72.462 tors. eta vs tors. theta energy: -44.619 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: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -942.394562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.394562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.394562 (E_RNA) where: Base-Base interactions energy: -470.246 where: short stacking energy: -260.916 Base-Backbone interact. energy: 7.415 local terms energy: -479.563725 where: bonds (distance) C4'-P energy: -176.781 bonds (distance) P-C4' energy: -139.249 flat angles C4'-P-C4' energy: -92.202 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: 13.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2872.971554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.971554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.971554 (E_RNA) where: Base-Base interactions energy: -1926.814 where: short stacking energy: -862.795 Base-Backbone interact. energy: -3.537 local terms energy: -942.619701 where: bonds (distance) C4'-P energy: -197.031 bonds (distance) P-C4' energy: -180.145 flat angles C4'-P-C4' energy: -197.377 flat angles P-C4'-P energy: -140.242 tors. eta vs tors. theta energy: -227.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2805.938656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.938656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.938656 (E_RNA) where: Base-Base interactions energy: -1869.845 where: short stacking energy: -887.853 Base-Backbone interact. energy: -4.400 local terms energy: -931.693367 where: bonds (distance) C4'-P energy: -165.514 bonds (distance) P-C4' energy: -184.630 flat angles C4'-P-C4' energy: -206.179 flat angles P-C4'-P energy: -142.447 tors. eta vs tors. theta energy: -232.923 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: 74 Temperature: 1.000000 Total energy: -2646.766793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.766793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.766793 (E_RNA) where: Base-Base interactions energy: -1759.831 where: short stacking energy: -768.650 Base-Backbone interact. energy: -2.638 local terms energy: -884.297376 where: bonds (distance) C4'-P energy: -174.492 bonds (distance) P-C4' energy: -173.535 flat angles C4'-P-C4' energy: -187.105 flat angles P-C4'-P energy: -134.918 tors. eta vs tors. theta energy: -214.247 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: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2387.370472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.370472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.370472 (E_RNA) where: Base-Base interactions energy: -1529.649 where: short stacking energy: -730.968 Base-Backbone interact. energy: -3.408 local terms energy: -854.312849 where: bonds (distance) C4'-P energy: -163.678 bonds (distance) P-C4' energy: -188.136 flat angles C4'-P-C4' energy: -185.476 flat angles P-C4'-P energy: -112.646 tors. eta vs tors. theta energy: -204.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2159.323559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.323559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.323559 (E_RNA) where: Base-Base interactions energy: -1365.171 where: short stacking energy: -639.609 Base-Backbone interact. energy: -7.726 local terms energy: -786.426691 where: bonds (distance) C4'-P energy: -156.712 bonds (distance) P-C4' energy: -168.364 flat angles C4'-P-C4' energy: -185.761 flat angles P-C4'-P energy: -114.427 tors. eta vs tors. theta energy: -161.163 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: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1804.842444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.842444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.842444 (E_RNA) where: Base-Base interactions energy: -1074.590 where: short stacking energy: -533.545 Base-Backbone interact. energy: -3.513 local terms energy: -726.738697 where: bonds (distance) C4'-P energy: -178.318 bonds (distance) P-C4' energy: -171.942 flat angles C4'-P-C4' energy: -158.521 flat angles P-C4'-P energy: -108.966 tors. eta vs tors. theta energy: -108.991 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: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1736.572980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.572980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.572980 (E_RNA) where: Base-Base interactions energy: -1099.769 where: short stacking energy: -530.224 Base-Backbone interact. energy: -3.907 local terms energy: -632.897306 where: bonds (distance) C4'-P energy: -128.051 bonds (distance) P-C4' energy: -185.514 flat angles C4'-P-C4' energy: -143.905 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -90.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1383.025439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.025439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.025439 (E_RNA) where: Base-Base interactions energy: -831.443 where: short stacking energy: -421.627 Base-Backbone interact. energy: -3.233 local terms energy: -548.349459 where: bonds (distance) C4'-P energy: -131.065 bonds (distance) P-C4' energy: -168.722 flat angles C4'-P-C4' energy: -135.304 flat angles P-C4'-P energy: -82.578 tors. eta vs tors. theta energy: -30.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1160.549500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.549500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.549500 (E_RNA) where: Base-Base interactions energy: -602.560 where: short stacking energy: -324.902 Base-Backbone interact. energy: 5.315 local terms energy: -563.304460 where: bonds (distance) C4'-P energy: -153.462 bonds (distance) P-C4' energy: -163.359 flat angles C4'-P-C4' energy: -152.253 flat angles P-C4'-P energy: -78.491 tors. eta vs tors. theta energy: -15.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -925.729581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.729581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.729581 (E_RNA) where: Base-Base interactions energy: -416.189 where: short stacking energy: -249.218 Base-Backbone interact. energy: 1.608 local terms energy: -511.148573 where: bonds (distance) C4'-P energy: -134.825 bonds (distance) P-C4' energy: -169.386 flat angles C4'-P-C4' energy: -137.641 flat angles P-C4'-P energy: -72.969 tors. eta vs tors. theta energy: 3.673 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: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2896.941081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.941081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.941081 (E_RNA) where: Base-Base interactions energy: -1931.639 where: short stacking energy: -900.220 Base-Backbone interact. energy: -7.070 local terms energy: -958.231616 where: bonds (distance) C4'-P energy: -186.759 bonds (distance) P-C4' energy: -188.854 flat angles C4'-P-C4' energy: -204.822 flat angles P-C4'-P energy: -132.509 tors. eta vs tors. theta energy: -245.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2815.232487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.232487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.232487 (E_RNA) where: Base-Base interactions energy: -1901.579 where: short stacking energy: -910.863 Base-Backbone interact. energy: -5.139 local terms energy: -908.513883 where: bonds (distance) C4'-P energy: -157.740 bonds (distance) P-C4' energy: -168.201 flat angles C4'-P-C4' energy: -196.288 flat angles P-C4'-P energy: -127.324 tors. eta vs tors. theta energy: -258.961 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: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2610.822173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.822173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.822173 (E_RNA) where: Base-Base interactions energy: -1771.870 where: short stacking energy: -774.273 Base-Backbone interact. energy: -5.041 local terms energy: -833.911948 where: bonds (distance) C4'-P energy: -180.991 bonds (distance) P-C4' energy: -164.422 flat angles C4'-P-C4' energy: -189.646 flat angles P-C4'-P energy: -109.700 tors. eta vs tors. theta energy: -189.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2392.358376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.358376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.358376 (E_RNA) where: Base-Base interactions energy: -1551.922 where: short stacking energy: -715.350 Base-Backbone interact. energy: -2.417 local terms energy: -838.019785 where: bonds (distance) C4'-P energy: -175.780 bonds (distance) P-C4' energy: -182.778 flat angles C4'-P-C4' energy: -195.433 flat angles P-C4'-P energy: -115.882 tors. eta vs tors. theta energy: -168.147 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: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2174.977401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.977401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.977401 (E_RNA) where: Base-Base interactions energy: -1405.611 where: short stacking energy: -639.869 Base-Backbone interact. energy: -3.997 local terms energy: -765.368756 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -170.403 flat angles C4'-P-C4' energy: -178.579 flat angles P-C4'-P energy: -118.226 tors. eta vs tors. theta energy: -151.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1778.422963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.422963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.422963 (E_RNA) where: Base-Base interactions energy: -1067.565 where: short stacking energy: -525.567 Base-Backbone interact. energy: -5.014 local terms energy: -705.843054 where: bonds (distance) C4'-P energy: -169.284 bonds (distance) P-C4' energy: -168.727 flat angles C4'-P-C4' energy: -179.367 flat angles P-C4'-P energy: -101.321 tors. eta vs tors. theta energy: -87.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1715.025035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.025035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.025035 (E_RNA) where: Base-Base interactions energy: -1096.875 where: short stacking energy: -507.707 Base-Backbone interact. energy: 0.143 local terms energy: -618.293627 where: bonds (distance) C4'-P energy: -130.964 bonds (distance) P-C4' energy: -135.478 flat angles C4'-P-C4' energy: -161.500 flat angles P-C4'-P energy: -104.606 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: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1439.225559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.225559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.225559 (E_RNA) where: Base-Base interactions energy: -814.544 where: short stacking energy: -415.753 Base-Backbone interact. energy: 0.548 local terms energy: -625.229495 where: bonds (distance) C4'-P energy: -135.394 bonds (distance) P-C4' energy: -164.379 flat angles C4'-P-C4' energy: -152.669 flat angles P-C4'-P energy: -99.862 tors. eta vs tors. theta energy: -72.926 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: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1142.068190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.068190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.068190 (E_RNA) where: Base-Base interactions energy: -603.452 where: short stacking energy: -336.012 Base-Backbone interact. energy: -1.558 local terms energy: -537.057837 where: bonds (distance) C4'-P energy: -149.303 bonds (distance) P-C4' energy: -150.309 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: -39.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -968.976891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.976891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.976891 (E_RNA) where: Base-Base interactions energy: -494.456 where: short stacking energy: -256.058 Base-Backbone interact. energy: 3.410 local terms energy: -477.931205 where: bonds (distance) C4'-P energy: -141.840 bonds (distance) P-C4' energy: -162.590 flat angles C4'-P-C4' energy: -124.230 flat angles P-C4'-P energy: -66.629 tors. eta vs tors. theta energy: 17.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2876.895027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.895027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.895027 (E_RNA) where: Base-Base interactions energy: -1923.977 where: short stacking energy: -881.633 Base-Backbone interact. energy: -0.371 local terms energy: -952.547327 where: bonds (distance) C4'-P energy: -170.468 bonds (distance) P-C4' energy: -195.461 flat angles C4'-P-C4' energy: -185.278 flat angles P-C4'-P energy: -155.747 tors. eta vs tors. theta energy: -245.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2800.974796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.974796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.974796 (E_RNA) where: Base-Base interactions energy: -1857.438 where: short stacking energy: -854.328 Base-Backbone interact. energy: -0.830 local terms energy: -942.706583 where: bonds (distance) C4'-P energy: -181.713 bonds (distance) P-C4' energy: -178.595 flat angles C4'-P-C4' energy: -197.947 flat angles P-C4'-P energy: -139.738 tors. eta vs tors. theta energy: -244.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2591.337365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.337365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.337365 (E_RNA) where: Base-Base interactions energy: -1748.433 where: short stacking energy: -761.255 Base-Backbone interact. energy: -1.128 local terms energy: -841.775594 where: bonds (distance) C4'-P energy: -155.957 bonds (distance) P-C4' energy: -196.013 flat angles C4'-P-C4' energy: -189.500 flat angles P-C4'-P energy: -106.962 tors. eta vs tors. theta energy: -193.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2387.324847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.324847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.324847 (E_RNA) where: Base-Base interactions energy: -1540.334 where: short stacking energy: -728.219 Base-Backbone interact. energy: 5.115 local terms energy: -852.106302 where: bonds (distance) C4'-P energy: -152.412 bonds (distance) P-C4' energy: -175.555 flat angles C4'-P-C4' energy: -192.332 flat angles P-C4'-P energy: -115.642 tors. eta vs tors. theta energy: -216.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2209.377903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.377903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.377903 (E_RNA) where: Base-Base interactions energy: -1433.927 where: short stacking energy: -659.022 Base-Backbone interact. energy: -1.624 local terms energy: -773.826758 where: bonds (distance) C4'-P energy: -148.586 bonds (distance) P-C4' energy: -164.250 flat angles C4'-P-C4' energy: -168.724 flat angles P-C4'-P energy: -123.317 tors. eta vs tors. theta energy: -168.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1807.362820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.362820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.362820 (E_RNA) where: Base-Base interactions energy: -1109.922 where: short stacking energy: -555.415 Base-Backbone interact. energy: 0.572 local terms energy: -698.013093 where: bonds (distance) C4'-P energy: -150.885 bonds (distance) P-C4' energy: -166.775 flat angles C4'-P-C4' energy: -164.358 flat angles P-C4'-P energy: -103.006 tors. eta vs tors. theta energy: -112.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1772.527316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.527316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.527316 (E_RNA) where: Base-Base interactions energy: -1095.675 where: short stacking energy: -540.165 Base-Backbone interact. energy: -4.077 local terms energy: -672.775031 where: bonds (distance) C4'-P energy: -164.931 bonds (distance) P-C4' energy: -159.894 flat angles C4'-P-C4' energy: -150.563 flat angles P-C4'-P energy: -94.210 tors. eta vs tors. theta energy: -103.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1546.199566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.199566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.199566 (E_RNA) where: Base-Base interactions energy: -899.117 where: short stacking energy: -448.870 Base-Backbone interact. energy: -1.587 local terms energy: -645.496053 where: bonds (distance) C4'-P energy: -168.832 bonds (distance) P-C4' energy: -155.867 flat angles C4'-P-C4' energy: -161.146 flat angles P-C4'-P energy: -85.421 tors. eta vs tors. theta energy: -74.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1163.749563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.749563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.749563 (E_RNA) where: Base-Base interactions energy: -643.631 where: short stacking energy: -377.565 Base-Backbone interact. energy: 1.389 local terms energy: -521.507291 where: bonds (distance) C4'-P energy: -130.853 bonds (distance) P-C4' energy: -156.754 flat angles C4'-P-C4' energy: -132.169 flat angles P-C4'-P energy: -65.582 tors. eta vs tors. theta energy: -36.150 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: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -962.665120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.665120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.665120 (E_RNA) where: Base-Base interactions energy: -464.730 where: short stacking energy: -253.486 Base-Backbone interact. energy: -0.610 local terms energy: -497.325884 where: bonds (distance) C4'-P energy: -142.223 bonds (distance) P-C4' energy: -152.914 flat angles C4'-P-C4' energy: -127.032 flat angles P-C4'-P energy: -94.271 tors. eta vs tors. theta energy: 19.114 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: 77 Temperature: 0.900000 Total energy: -2874.002146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.002146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.002146 (E_RNA) where: Base-Base interactions energy: -1920.484 where: short stacking energy: -909.878 Base-Backbone interact. energy: -5.877 local terms energy: -947.641815 where: bonds (distance) C4'-P energy: -167.992 bonds (distance) P-C4' energy: -182.483 flat angles C4'-P-C4' energy: -203.760 flat angles P-C4'-P energy: -143.234 tors. eta vs tors. theta energy: -250.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2817.689727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.689727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.689727 (E_RNA) where: Base-Base interactions energy: -1870.735 where: short stacking energy: -861.678 Base-Backbone interact. energy: -3.601 local terms energy: -943.353706 where: bonds (distance) C4'-P energy: -186.883 bonds (distance) P-C4' energy: -183.329 flat angles C4'-P-C4' energy: -203.416 flat angles P-C4'-P energy: -125.495 tors. eta vs tors. theta energy: -244.231 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: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2544.616549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.616549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.616549 (E_RNA) where: Base-Base interactions energy: -1673.195 where: short stacking energy: -746.319 Base-Backbone interact. energy: -1.206 local terms energy: -870.215873 where: bonds (distance) C4'-P energy: -188.234 bonds (distance) P-C4' energy: -178.164 flat angles C4'-P-C4' energy: -191.696 flat angles P-C4'-P energy: -117.479 tors. eta vs tors. theta energy: -194.642 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: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2362.472942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.472942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.472942 (E_RNA) where: Base-Base interactions energy: -1513.479 where: short stacking energy: -716.684 Base-Backbone interact. energy: -2.598 local terms energy: -846.395642 where: bonds (distance) C4'-P energy: -170.384 bonds (distance) P-C4' energy: -173.558 flat angles C4'-P-C4' energy: -190.612 flat angles P-C4'-P energy: -122.715 tors. eta vs tors. theta energy: -189.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2215.500983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.500983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.500983 (E_RNA) where: Base-Base interactions energy: -1403.971 where: short stacking energy: -626.385 Base-Backbone interact. energy: -3.330 local terms energy: -808.200100 where: bonds (distance) C4'-P energy: -165.831 bonds (distance) P-C4' energy: -170.970 flat angles C4'-P-C4' energy: -180.225 flat angles P-C4'-P energy: -114.876 tors. eta vs tors. theta energy: -176.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1894.863086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.863086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.863086 (E_RNA) where: Base-Base interactions energy: -1199.716 where: short stacking energy: -572.767 Base-Backbone interact. energy: -0.998 local terms energy: -694.149047 where: bonds (distance) C4'-P energy: -159.632 bonds (distance) P-C4' energy: -153.267 flat angles C4'-P-C4' energy: -175.646 flat angles P-C4'-P energy: -93.815 tors. eta vs tors. theta energy: -111.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1696.445355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.445355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.445355 (E_RNA) where: Base-Base interactions energy: -1024.862 where: short stacking energy: -510.413 Base-Backbone interact. energy: 0.705 local terms energy: -672.288769 where: bonds (distance) C4'-P energy: -146.447 bonds (distance) P-C4' energy: -172.185 flat angles C4'-P-C4' energy: -176.901 flat angles P-C4'-P energy: -86.053 tors. eta vs tors. theta energy: -90.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1418.951896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.951896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.951896 (E_RNA) where: Base-Base interactions energy: -836.643 where: short stacking energy: -404.618 Base-Backbone interact. energy: -2.886 local terms energy: -579.423150 where: bonds (distance) C4'-P energy: -133.734 bonds (distance) P-C4' energy: -158.556 flat angles C4'-P-C4' energy: -139.520 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -50.261 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: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1132.090024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.090024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.090024 (E_RNA) where: Base-Base interactions energy: -597.369 where: short stacking energy: -343.480 Base-Backbone interact. energy: 0.707 local terms energy: -535.428182 where: bonds (distance) C4'-P energy: -136.039 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -140.739 flat angles P-C4'-P energy: -86.482 tors. eta vs tors. theta energy: -11.707 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: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -898.235767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.235767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.235767 (E_RNA) where: Base-Base interactions energy: -442.919 where: short stacking energy: -246.418 Base-Backbone interact. energy: -1.101 local terms energy: -454.216515 where: bonds (distance) C4'-P energy: -132.104 bonds (distance) P-C4' energy: -151.410 flat angles C4'-P-C4' energy: -124.344 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: 24.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2853.612901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.612901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.612901 (E_RNA) where: Base-Base interactions energy: -1901.814 where: short stacking energy: -865.470 Base-Backbone interact. energy: -5.898 local terms energy: -945.900458 where: bonds (distance) C4'-P energy: -185.372 bonds (distance) P-C4' energy: -191.871 flat angles C4'-P-C4' energy: -205.519 flat angles P-C4'-P energy: -134.012 tors. eta vs tors. theta energy: -229.126 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: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2811.776367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.776367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.776367 (E_RNA) where: Base-Base interactions energy: -1869.059 where: short stacking energy: -864.648 Base-Backbone interact. energy: -3.336 local terms energy: -939.381370 where: bonds (distance) C4'-P energy: -162.626 bonds (distance) P-C4' energy: -189.177 flat angles C4'-P-C4' energy: -193.838 flat angles P-C4'-P energy: -144.920 tors. eta vs tors. theta energy: -248.821 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: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2565.405966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.405966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.405966 (E_RNA) where: Base-Base interactions energy: -1693.556 where: short stacking energy: -756.613 Base-Backbone interact. energy: -10.662 local terms energy: -861.188238 where: bonds (distance) C4'-P energy: -166.628 bonds (distance) P-C4' energy: -180.604 flat angles C4'-P-C4' energy: -196.773 flat angles P-C4'-P energy: -127.012 tors. eta vs tors. theta energy: -190.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2330.573803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.573803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.573803 (E_RNA) where: Base-Base interactions energy: -1531.464 where: short stacking energy: -716.142 Base-Backbone interact. energy: -0.406 local terms energy: -798.703914 where: bonds (distance) C4'-P energy: -161.528 bonds (distance) P-C4' energy: -153.675 flat angles C4'-P-C4' energy: -193.171 flat angles P-C4'-P energy: -109.918 tors. eta vs tors. theta energy: -180.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2176.681358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.681358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.681358 (E_RNA) where: Base-Base interactions energy: -1401.314 where: short stacking energy: -653.313 Base-Backbone interact. energy: -2.208 local terms energy: -773.159487 where: bonds (distance) C4'-P energy: -151.751 bonds (distance) P-C4' energy: -162.297 flat angles C4'-P-C4' energy: -185.714 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -157.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1962.717780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.717780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.717780 (E_RNA) where: Base-Base interactions energy: -1277.915 where: short stacking energy: -612.522 Base-Backbone interact. energy: 0.135 local terms energy: -684.937474 where: bonds (distance) C4'-P energy: -140.547 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -149.312 flat angles P-C4'-P energy: -123.119 tors. eta vs tors. theta energy: -116.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1704.797919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.797919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.797919 (E_RNA) where: Base-Base interactions energy: -1094.947 where: short stacking energy: -526.117 Base-Backbone interact. energy: 0.462 local terms energy: -610.313258 where: bonds (distance) C4'-P energy: -130.488 bonds (distance) P-C4' energy: -158.030 flat angles C4'-P-C4' energy: -136.172 flat angles P-C4'-P energy: -94.443 tors. eta vs tors. theta energy: -91.180 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: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1400.803581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.803581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.803581 (E_RNA) where: Base-Base interactions energy: -777.482 where: short stacking energy: -386.424 Base-Backbone interact. energy: -3.583 local terms energy: -619.738367 where: bonds (distance) C4'-P energy: -161.030 bonds (distance) P-C4' energy: -151.305 flat angles C4'-P-C4' energy: -162.991 flat angles P-C4'-P energy: -104.114 tors. eta vs tors. theta energy: -40.298 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: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1167.881438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.881438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.881438 (E_RNA) where: Base-Base interactions energy: -643.750 where: short stacking energy: -378.050 Base-Backbone interact. energy: 4.341 local terms energy: -528.472483 where: bonds (distance) C4'-P energy: -144.435 bonds (distance) P-C4' energy: -151.161 flat angles C4'-P-C4' energy: -132.580 flat angles P-C4'-P energy: -65.336 tors. eta vs tors. theta energy: -34.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -864.991556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.991556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.991556 (E_RNA) where: Base-Base interactions energy: -401.955 where: short stacking energy: -250.252 Base-Backbone interact. energy: 0.879 local terms energy: -463.915702 where: bonds (distance) C4'-P energy: -139.882 bonds (distance) P-C4' energy: -146.809 flat angles C4'-P-C4' energy: -114.554 flat angles P-C4'-P energy: -67.007 tors. eta vs tors. theta energy: 4.337 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: 79 Temperature: 0.900000 Total energy: -2855.995415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.995415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.995415 (E_RNA) where: Base-Base interactions energy: -1925.465 where: short stacking energy: -872.712 Base-Backbone interact. energy: -6.053 local terms energy: -924.477255 where: bonds (distance) C4'-P energy: -171.942 bonds (distance) P-C4' energy: -181.395 flat angles C4'-P-C4' energy: -206.558 flat angles P-C4'-P energy: -134.827 tors. eta vs tors. theta energy: -229.756 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: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2856.396033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.396033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.396033 (E_RNA) where: Base-Base interactions energy: -1919.869 where: short stacking energy: -917.389 Base-Backbone interact. energy: -3.706 local terms energy: -932.820817 where: bonds (distance) C4'-P energy: -165.092 bonds (distance) P-C4' energy: -182.849 flat angles C4'-P-C4' energy: -200.042 flat angles P-C4'-P energy: -135.655 tors. eta vs tors. theta energy: -249.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2533.399025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.399025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.399025 (E_RNA) where: Base-Base interactions energy: -1699.364 where: short stacking energy: -760.019 Base-Backbone interact. energy: -0.354 local terms energy: -833.680600 where: bonds (distance) C4'-P energy: -167.457 bonds (distance) P-C4' energy: -161.798 flat angles C4'-P-C4' energy: -182.103 flat angles P-C4'-P energy: -131.824 tors. eta vs tors. theta energy: -190.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2367.327346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.327346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.327346 (E_RNA) where: Base-Base interactions energy: -1534.387 where: short stacking energy: -742.510 Base-Backbone interact. energy: 0.400 local terms energy: -833.340969 where: bonds (distance) C4'-P energy: -169.472 bonds (distance) P-C4' energy: -179.819 flat angles C4'-P-C4' energy: -187.750 flat angles P-C4'-P energy: -102.961 tors. eta vs tors. theta energy: -193.340 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: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2209.917281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.917281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.917281 (E_RNA) where: Base-Base interactions energy: -1449.118 where: short stacking energy: -656.489 Base-Backbone interact. energy: -6.672 local terms energy: -754.127351 where: bonds (distance) C4'-P energy: -149.035 bonds (distance) P-C4' energy: -173.696 flat angles C4'-P-C4' energy: -165.599 flat angles P-C4'-P energy: -108.843 tors. eta vs tors. theta energy: -156.954 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: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2005.337589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.337589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.337589 (E_RNA) where: Base-Base interactions energy: -1279.141 where: short stacking energy: -605.251 Base-Backbone interact. energy: -1.539 local terms energy: -724.657074 where: bonds (distance) C4'-P energy: -151.592 bonds (distance) P-C4' energy: -166.662 flat angles C4'-P-C4' energy: -178.702 flat angles P-C4'-P energy: -95.028 tors. eta vs tors. theta energy: -132.672 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: 9 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1718.376518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.376518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.376518 (E_RNA) where: Base-Base interactions energy: -1081.270 where: short stacking energy: -554.080 Base-Backbone interact. energy: 5.196 local terms energy: -642.302511 where: bonds (distance) C4'-P energy: -137.046 bonds (distance) P-C4' energy: -172.128 flat angles C4'-P-C4' energy: -156.245 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -91.303 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: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1449.701363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.701363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.701363 (E_RNA) where: Base-Base interactions energy: -865.320 where: short stacking energy: -455.192 Base-Backbone interact. energy: -0.419 local terms energy: -583.961658 where: bonds (distance) C4'-P energy: -147.243 bonds (distance) P-C4' energy: -143.737 flat angles C4'-P-C4' energy: -145.325 flat angles P-C4'-P energy: -82.398 tors. eta vs tors. theta energy: -65.258 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: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1178.944142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.944142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.944142 (E_RNA) where: Base-Base interactions energy: -638.132 where: short stacking energy: -341.144 Base-Backbone interact. energy: -1.546 local terms energy: -539.266210 where: bonds (distance) C4'-P energy: -124.483 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -146.029 flat angles P-C4'-P energy: -91.689 tors. eta vs tors. theta energy: -30.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -985.951708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.951708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.951708 (E_RNA) where: Base-Base interactions energy: -477.488 where: short stacking energy: -306.026 Base-Backbone interact. energy: -1.020 local terms energy: -507.444099 where: bonds (distance) C4'-P energy: -160.672 bonds (distance) P-C4' energy: -126.163 flat angles C4'-P-C4' energy: -138.672 flat angles P-C4'-P energy: -81.829 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2832.440914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.440914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.440914 (E_RNA) where: Base-Base interactions energy: -1894.804 where: short stacking energy: -868.243 Base-Backbone interact. energy: -9.325 local terms energy: -928.311939 where: bonds (distance) C4'-P energy: -174.781 bonds (distance) P-C4' energy: -184.253 flat angles C4'-P-C4' energy: -193.362 flat angles P-C4'-P energy: -144.459 tors. eta vs tors. theta energy: -231.458 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: 80 Temperature: 0.950000 Total energy: -2841.158127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.158127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.158127 (E_RNA) where: Base-Base interactions energy: -1902.312 where: short stacking energy: -888.093 Base-Backbone interact. energy: -4.777 local terms energy: -934.068954 where: bonds (distance) C4'-P energy: -183.718 bonds (distance) P-C4' energy: -174.461 flat angles C4'-P-C4' energy: -201.587 flat angles P-C4'-P energy: -133.690 tors. eta vs tors. theta energy: -240.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2456.082482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.082482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.082482 (E_RNA) where: Base-Base interactions energy: -1635.902 where: short stacking energy: -758.936 Base-Backbone interact. energy: -6.782 local terms energy: -813.398794 where: bonds (distance) C4'-P energy: -176.919 bonds (distance) P-C4' energy: -173.311 flat angles C4'-P-C4' energy: -174.527 flat angles P-C4'-P energy: -108.849 tors. eta vs tors. theta energy: -179.793 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: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2281.075867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.075867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.075867 (E_RNA) where: Base-Base interactions energy: -1476.606 where: short stacking energy: -720.578 Base-Backbone interact. energy: -1.798 local terms energy: -802.672205 where: bonds (distance) C4'-P energy: -168.868 bonds (distance) P-C4' energy: -160.996 flat angles C4'-P-C4' energy: -196.859 flat angles P-C4'-P energy: -101.591 tors. eta vs tors. theta energy: -174.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2254.042758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.042758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.042758 (E_RNA) where: Base-Base interactions energy: -1476.859 where: short stacking energy: -688.954 Base-Backbone interact. energy: -2.015 local terms energy: -775.168570 where: bonds (distance) C4'-P energy: -158.701 bonds (distance) P-C4' energy: -162.393 flat angles C4'-P-C4' energy: -168.041 flat angles P-C4'-P energy: -108.957 tors. eta vs tors. theta energy: -177.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1978.549411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.549411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.549411 (E_RNA) where: Base-Base interactions energy: -1274.850 where: short stacking energy: -613.233 Base-Backbone interact. energy: 9.607 local terms energy: -713.305982 where: bonds (distance) C4'-P energy: -168.422 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -153.616 flat angles P-C4'-P energy: -89.438 tors. eta vs tors. theta energy: -147.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1785.953638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.953638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.953638 (E_RNA) where: Base-Base interactions energy: -1105.408 where: short stacking energy: -539.305 Base-Backbone interact. energy: -2.908 local terms energy: -677.637839 where: bonds (distance) C4'-P energy: -126.794 bonds (distance) P-C4' energy: -153.516 flat angles C4'-P-C4' energy: -158.562 flat angles P-C4'-P energy: -117.848 tors. eta vs tors. theta energy: -120.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1436.798596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.798596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.798596 (E_RNA) where: Base-Base interactions energy: -847.157 where: short stacking energy: -404.461 Base-Backbone interact. energy: 0.645 local terms energy: -590.286951 where: bonds (distance) C4'-P energy: -173.332 bonds (distance) P-C4' energy: -159.146 flat angles C4'-P-C4' energy: -130.346 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -51.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1156.127877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.127877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.127877 (E_RNA) where: Base-Base interactions energy: -620.030 where: short stacking energy: -321.003 Base-Backbone interact. energy: -2.672 local terms energy: -533.425515 where: bonds (distance) C4'-P energy: -111.214 bonds (distance) P-C4' energy: -160.880 flat angles C4'-P-C4' energy: -140.713 flat angles P-C4'-P energy: -80.557 tors. eta vs tors. theta energy: -40.062 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: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -832.204251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.204251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.204251 (E_RNA) where: Base-Base interactions energy: -373.962 where: short stacking energy: -232.636 Base-Backbone interact. energy: 0.583 local terms energy: -458.825095 where: bonds (distance) C4'-P energy: -129.647 bonds (distance) P-C4' energy: -173.157 flat angles C4'-P-C4' energy: -107.275 flat angles P-C4'-P energy: -70.685 tors. eta vs tors. theta energy: 21.939 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: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2842.772935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.772935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.772935 (E_RNA) where: Base-Base interactions energy: -1915.605 where: short stacking energy: -819.621 Base-Backbone interact. energy: -5.902 local terms energy: -921.266221 where: bonds (distance) C4'-P energy: -184.629 bonds (distance) P-C4' energy: -179.136 flat angles C4'-P-C4' energy: -205.257 flat angles P-C4'-P energy: -121.745 tors. eta vs tors. theta energy: -230.499 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2870.017553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.017553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.017553 (E_RNA) where: Base-Base interactions energy: -1948.999 where: short stacking energy: -864.001 Base-Backbone interact. energy: -2.953 local terms energy: -918.065439 where: bonds (distance) C4'-P energy: -168.540 bonds (distance) P-C4' energy: -180.328 flat angles C4'-P-C4' energy: -200.907 flat angles P-C4'-P energy: -128.914 tors. eta vs tors. theta energy: -239.377 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: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2536.849321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.849321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.849321 (E_RNA) where: Base-Base interactions energy: -1683.582 where: short stacking energy: -761.416 Base-Backbone interact. energy: -4.846 local terms energy: -848.421392 where: bonds (distance) C4'-P energy: -164.211 bonds (distance) P-C4' energy: -175.917 flat angles C4'-P-C4' energy: -190.627 flat angles P-C4'-P energy: -136.804 tors. eta vs tors. theta energy: -180.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2322.307351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.307351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.307351 (E_RNA) where: Base-Base interactions energy: -1491.255 where: short stacking energy: -722.673 Base-Backbone interact. energy: 1.577 local terms energy: -832.629155 where: bonds (distance) C4'-P energy: -174.790 bonds (distance) P-C4' energy: -165.318 flat angles C4'-P-C4' energy: -181.383 flat angles P-C4'-P energy: -125.607 tors. eta vs tors. theta energy: -185.531 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: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2281.114631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.114631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.114631 (E_RNA) where: Base-Base interactions energy: -1527.140 where: short stacking energy: -711.508 Base-Backbone interact. energy: -6.301 local terms energy: -747.673454 where: bonds (distance) C4'-P energy: -149.621 bonds (distance) P-C4' energy: -173.370 flat angles C4'-P-C4' energy: -169.086 flat angles P-C4'-P energy: -84.238 tors. eta vs tors. theta energy: -171.358 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: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2082.670900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.670900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.670900 (E_RNA) where: Base-Base interactions energy: -1377.741 where: short stacking energy: -612.817 Base-Backbone interact. energy: -2.642 local terms energy: -702.288519 where: bonds (distance) C4'-P energy: -146.483 bonds (distance) P-C4' energy: -176.933 flat angles C4'-P-C4' energy: -174.152 flat angles P-C4'-P energy: -96.973 tors. eta vs tors. theta energy: -107.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1761.802925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.802925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.802925 (E_RNA) where: Base-Base interactions energy: -1061.804 where: short stacking energy: -531.174 Base-Backbone interact. energy: -4.841 local terms energy: -695.157511 where: bonds (distance) C4'-P energy: -156.015 bonds (distance) P-C4' energy: -161.621 flat angles C4'-P-C4' energy: -165.557 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -105.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1491.414536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.414536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.414536 (E_RNA) where: Base-Base interactions energy: -913.475 where: short stacking energy: -450.379 Base-Backbone interact. energy: 2.936 local terms energy: -580.875059 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -151.610 flat angles P-C4'-P energy: -92.445 tors. eta vs tors. theta energy: -67.820 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: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1203.735549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.735549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.735549 (E_RNA) where: Base-Base interactions energy: -647.875 where: short stacking energy: -358.557 Base-Backbone interact. energy: -2.967 local terms energy: -552.893788 where: bonds (distance) C4'-P energy: -149.272 bonds (distance) P-C4' energy: -148.566 flat angles C4'-P-C4' energy: -120.648 flat angles P-C4'-P energy: -108.843 tors. eta vs tors. theta energy: -25.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -869.900602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.900602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.900602 (E_RNA) where: Base-Base interactions energy: -427.520 where: short stacking energy: -225.766 Base-Backbone interact. energy: 8.945 local terms energy: -451.325232 where: bonds (distance) C4'-P energy: -139.121 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -115.092 flat angles P-C4'-P energy: -57.284 tors. eta vs tors. theta energy: 17.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2949.818722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.818722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.818722 (E_RNA) where: Base-Base interactions energy: -1981.496 where: short stacking energy: -918.384 Base-Backbone interact. energy: -3.034 local terms energy: -965.288725 where: bonds (distance) C4'-P energy: -189.186 bonds (distance) P-C4' energy: -174.954 flat angles C4'-P-C4' energy: -207.029 flat angles P-C4'-P energy: -141.594 tors. eta vs tors. theta energy: -252.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2799.429350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.429350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.429350 (E_RNA) where: Base-Base interactions energy: -1894.449 where: short stacking energy: -859.498 Base-Backbone interact. energy: -2.142 local terms energy: -902.838455 where: bonds (distance) C4'-P energy: -170.500 bonds (distance) P-C4' energy: -169.733 flat angles C4'-P-C4' energy: -193.351 flat angles P-C4'-P energy: -139.470 tors. eta vs tors. theta energy: -229.785 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: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2535.441549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.441549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.441549 (E_RNA) where: Base-Base interactions energy: -1682.961 where: short stacking energy: -731.467 Base-Backbone interact. energy: -10.563 local terms energy: -841.917494 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -172.657 flat angles C4'-P-C4' energy: -196.459 flat angles P-C4'-P energy: -125.850 tors. eta vs tors. theta energy: -187.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2283.014815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.014815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.014815 (E_RNA) where: Base-Base interactions energy: -1471.237 where: short stacking energy: -703.520 Base-Backbone interact. energy: -1.533 local terms energy: -810.244723 where: bonds (distance) C4'-P energy: -166.095 bonds (distance) P-C4' energy: -171.650 flat angles C4'-P-C4' energy: -184.834 flat angles P-C4'-P energy: -114.129 tors. eta vs tors. theta energy: -173.536 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: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2276.771142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.771142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.771142 (E_RNA) where: Base-Base interactions energy: -1477.592 where: short stacking energy: -652.852 Base-Backbone interact. energy: -1.689 local terms energy: -797.489811 where: bonds (distance) C4'-P energy: -161.420 bonds (distance) P-C4' energy: -180.631 flat angles C4'-P-C4' energy: -177.672 flat angles P-C4'-P energy: -126.551 tors. eta vs tors. theta energy: -151.217 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: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2044.395059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.395059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.395059 (E_RNA) where: Base-Base interactions energy: -1336.505 where: short stacking energy: -602.677 Base-Backbone interact. energy: -1.700 local terms energy: -706.190414 where: bonds (distance) C4'-P energy: -139.968 bonds (distance) P-C4' energy: -156.834 flat angles C4'-P-C4' energy: -164.158 flat angles P-C4'-P energy: -110.174 tors. eta vs tors. theta energy: -135.056 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: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1755.501158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.501158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.501158 (E_RNA) where: Base-Base interactions energy: -1081.755 where: short stacking energy: -534.947 Base-Backbone interact. energy: -2.484 local terms energy: -671.262967 where: bonds (distance) C4'-P energy: -156.488 bonds (distance) P-C4' energy: -159.818 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -89.409 tors. eta vs tors. theta energy: -101.695 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: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1565.464250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.464250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.464250 (E_RNA) where: Base-Base interactions energy: -959.792 where: short stacking energy: -468.354 Base-Backbone interact. energy: -0.687 local terms energy: -604.985483 where: bonds (distance) C4'-P energy: -150.999 bonds (distance) P-C4' energy: -145.930 flat angles C4'-P-C4' energy: -157.451 flat angles P-C4'-P energy: -67.788 tors. eta vs tors. theta energy: -82.818 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: 82 Temperature: 1.300000 Total energy: -1150.283555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.283555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.283555 (E_RNA) where: Base-Base interactions energy: -617.573 where: short stacking energy: -345.746 Base-Backbone interact. energy: 8.249 local terms energy: -540.960073 where: bonds (distance) C4'-P energy: -142.722 bonds (distance) P-C4' energy: -152.146 flat angles C4'-P-C4' energy: -142.634 flat angles P-C4'-P energy: -82.650 tors. eta vs tors. theta energy: -20.809 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: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -864.165698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.165698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.165698 (E_RNA) where: Base-Base interactions energy: -400.329 where: short stacking energy: -256.703 Base-Backbone interact. energy: 4.661 local terms energy: -468.497368 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -138.496 flat angles C4'-P-C4' energy: -122.620 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: 3.586 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2977.390037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.390037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.390037 (E_RNA) where: Base-Base interactions energy: -2018.483 where: short stacking energy: -941.320 Base-Backbone interact. energy: -3.526 local terms energy: -955.381452 where: bonds (distance) C4'-P energy: -187.683 bonds (distance) P-C4' energy: -181.707 flat angles C4'-P-C4' energy: -191.599 flat angles P-C4'-P energy: -137.376 tors. eta vs tors. theta energy: -257.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2764.005613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.005613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.005613 (E_RNA) where: Base-Base interactions energy: -1832.347 where: short stacking energy: -809.707 Base-Backbone interact. energy: -1.805 local terms energy: -929.853052 where: bonds (distance) C4'-P energy: -188.726 bonds (distance) P-C4' energy: -188.646 flat angles C4'-P-C4' energy: -197.562 flat angles P-C4'-P energy: -139.256 tors. eta vs tors. theta energy: -215.664 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: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2473.945589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.945589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.945589 (E_RNA) where: Base-Base interactions energy: -1614.787 where: short stacking energy: -717.893 Base-Backbone interact. energy: -0.132 local terms energy: -859.026496 where: bonds (distance) C4'-P energy: -174.993 bonds (distance) P-C4' energy: -180.264 flat angles C4'-P-C4' energy: -189.301 flat angles P-C4'-P energy: -131.384 tors. eta vs tors. theta energy: -183.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2354.205619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.205619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.205619 (E_RNA) where: Base-Base interactions energy: -1570.474 where: short stacking energy: -728.770 Base-Backbone interact. energy: 2.561 local terms energy: -786.292419 where: bonds (distance) C4'-P energy: -164.187 bonds (distance) P-C4' energy: -153.524 flat angles C4'-P-C4' energy: -179.375 flat angles P-C4'-P energy: -113.010 tors. eta vs tors. theta energy: -176.196 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: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2227.563385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.563385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.563385 (E_RNA) where: Base-Base interactions energy: -1449.170 where: short stacking energy: -707.828 Base-Backbone interact. energy: -3.906 local terms energy: -774.487162 where: bonds (distance) C4'-P energy: -158.531 bonds (distance) P-C4' energy: -168.738 flat angles C4'-P-C4' energy: -173.914 flat angles P-C4'-P energy: -102.487 tors. eta vs tors. theta energy: -170.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2116.348943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.348943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.348943 (E_RNA) where: Base-Base interactions energy: -1429.741 where: short stacking energy: -644.264 Base-Backbone interact. energy: -4.433 local terms energy: -682.174912 where: bonds (distance) C4'-P energy: -115.987 bonds (distance) P-C4' energy: -149.860 flat angles C4'-P-C4' energy: -161.123 flat angles P-C4'-P energy: -96.268 tors. eta vs tors. theta energy: -158.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1678.854986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.854986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.854986 (E_RNA) where: Base-Base interactions energy: -1050.693 where: short stacking energy: -498.557 Base-Backbone interact. energy: -0.081 local terms energy: -628.080970 where: bonds (distance) C4'-P energy: -145.554 bonds (distance) P-C4' energy: -147.036 flat angles C4'-P-C4' energy: -156.179 flat angles P-C4'-P energy: -99.901 tors. eta vs tors. theta energy: -79.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1566.513150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.513150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.513150 (E_RNA) where: Base-Base interactions energy: -950.418 where: short stacking energy: -503.003 Base-Backbone interact. energy: -0.493 local terms energy: -615.601582 where: bonds (distance) C4'-P energy: -146.473 bonds (distance) P-C4' energy: -153.905 flat angles C4'-P-C4' energy: -154.302 flat angles P-C4'-P energy: -83.398 tors. eta vs tors. theta energy: -77.524 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: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1103.601284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.601284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.601284 (E_RNA) where: Base-Base interactions energy: -617.219 where: short stacking energy: -322.865 Base-Backbone interact. energy: -2.648 local terms energy: -483.734265 where: bonds (distance) C4'-P energy: -149.959 bonds (distance) P-C4' energy: -142.402 flat angles C4'-P-C4' energy: -138.764 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: 12.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -819.407838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.407838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.407838 (E_RNA) where: Base-Base interactions energy: -368.600 where: short stacking energy: -203.326 Base-Backbone interact. energy: -4.122 local terms energy: -446.685505 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -159.774 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: 26.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2995.282487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.282487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.282487 (E_RNA) where: Base-Base interactions energy: -2030.972 where: short stacking energy: -927.309 Base-Backbone interact. energy: -6.536 local terms energy: -957.774412 where: bonds (distance) C4'-P energy: -179.511 bonds (distance) P-C4' energy: -162.594 flat angles C4'-P-C4' energy: -218.500 flat angles P-C4'-P energy: -144.026 tors. eta vs tors. theta energy: -253.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2786.279473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.279473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.279473 (E_RNA) where: Base-Base interactions energy: -1881.968 where: short stacking energy: -856.619 Base-Backbone interact. energy: -9.352 local terms energy: -894.959595 where: bonds (distance) C4'-P energy: -160.426 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -214.454 flat angles P-C4'-P energy: -123.364 tors. eta vs tors. theta energy: -230.856 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: 84 Temperature: 1.000000 Total energy: -2483.145646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.145646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.145646 (E_RNA) where: Base-Base interactions energy: -1629.325 where: short stacking energy: -747.320 Base-Backbone interact. energy: -1.130 local terms energy: -852.690120 where: bonds (distance) C4'-P energy: -170.997 bonds (distance) P-C4' energy: -174.930 flat angles C4'-P-C4' energy: -190.639 flat angles P-C4'-P energy: -122.121 tors. eta vs tors. theta energy: -194.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2418.821029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.821029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.821029 (E_RNA) where: Base-Base interactions energy: -1605.576 where: short stacking energy: -770.107 Base-Backbone interact. energy: -3.037 local terms energy: -810.207987 where: bonds (distance) C4'-P energy: -162.187 bonds (distance) P-C4' energy: -171.692 flat angles C4'-P-C4' energy: -174.302 flat angles P-C4'-P energy: -101.433 tors. eta vs tors. theta energy: -200.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2193.118059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.118059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.118059 (E_RNA) where: Base-Base interactions energy: -1420.866 where: short stacking energy: -672.478 Base-Backbone interact. energy: -3.250 local terms energy: -769.001907 where: bonds (distance) C4'-P energy: -161.202 bonds (distance) P-C4' energy: -151.791 flat angles C4'-P-C4' energy: -178.146 flat angles P-C4'-P energy: -115.886 tors. eta vs tors. theta energy: -161.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2080.056800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.056800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.056800 (E_RNA) where: Base-Base interactions energy: -1347.164 where: short stacking energy: -608.771 Base-Backbone interact. energy: -0.641 local terms energy: -732.251874 where: bonds (distance) C4'-P energy: -154.276 bonds (distance) P-C4' energy: -182.490 flat angles C4'-P-C4' energy: -165.114 flat angles P-C4'-P energy: -100.474 tors. eta vs tors. theta energy: -129.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1704.516247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.516247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.516247 (E_RNA) where: Base-Base interactions energy: -1074.525 where: short stacking energy: -515.639 Base-Backbone interact. energy: 0.623 local terms energy: -630.614462 where: bonds (distance) C4'-P energy: -129.944 bonds (distance) P-C4' energy: -149.986 flat angles C4'-P-C4' energy: -152.298 flat angles P-C4'-P energy: -96.294 tors. eta vs tors. theta energy: -102.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1447.733049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.733049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.733049 (E_RNA) where: Base-Base interactions energy: -875.461 where: short stacking energy: -404.285 Base-Backbone interact. energy: -3.520 local terms energy: -568.752312 where: bonds (distance) C4'-P energy: -161.605 bonds (distance) P-C4' energy: -155.173 flat angles C4'-P-C4' energy: -147.335 flat angles P-C4'-P energy: -77.663 tors. eta vs tors. theta energy: -26.976 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: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1178.861343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.861343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.861343 (E_RNA) where: Base-Base interactions energy: -628.676 where: short stacking energy: -340.031 Base-Backbone interact. energy: 6.035 local terms energy: -556.220328 where: bonds (distance) C4'-P energy: -145.114 bonds (distance) P-C4' energy: -167.694 flat angles C4'-P-C4' energy: -144.977 flat angles P-C4'-P energy: -80.109 tors. eta vs tors. theta energy: -18.326 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: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -954.600086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.600086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.600086 (E_RNA) where: Base-Base interactions energy: -479.661 where: short stacking energy: -293.690 Base-Backbone interact. energy: 6.350 local terms energy: -481.288414 where: bonds (distance) C4'-P energy: -134.604 bonds (distance) P-C4' energy: -165.486 flat angles C4'-P-C4' energy: -133.900 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: 10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2981.564796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.564796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.564796 (E_RNA) where: Base-Base interactions energy: -2035.546 where: short stacking energy: -947.957 Base-Backbone interact. energy: -1.956 local terms energy: -944.063061 where: bonds (distance) C4'-P energy: -182.812 bonds (distance) P-C4' energy: -170.173 flat angles C4'-P-C4' energy: -196.169 flat angles P-C4'-P energy: -140.523 tors. eta vs tors. theta energy: -254.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2781.051837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.051837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.051837 (E_RNA) where: Base-Base interactions energy: -1825.090 where: short stacking energy: -836.537 Base-Backbone interact. energy: -4.052 local terms energy: -951.909826 where: bonds (distance) C4'-P energy: -184.225 bonds (distance) P-C4' energy: -184.546 flat angles C4'-P-C4' energy: -210.018 flat angles P-C4'-P energy: -135.346 tors. eta vs tors. theta energy: -237.774 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: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2490.270994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.270994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.270994 (E_RNA) where: Base-Base interactions energy: -1643.653 where: short stacking energy: -771.601 Base-Backbone interact. energy: -3.149 local terms energy: -843.468731 where: bonds (distance) C4'-P energy: -166.766 bonds (distance) P-C4' energy: -178.767 flat angles C4'-P-C4' energy: -188.490 flat angles P-C4'-P energy: -124.480 tors. eta vs tors. theta energy: -184.965 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: 85 Temperature: 1.050000 Total energy: -2371.950121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.950121 (E_RNA) where: Base-Base interactions energy: -1578.911 where: short stacking energy: -739.499 Base-Backbone interact. energy: -1.357 local terms energy: -791.682731 where: bonds (distance) C4'-P energy: -154.291 bonds (distance) P-C4' energy: -180.876 flat angles C4'-P-C4' energy: -167.481 flat angles P-C4'-P energy: -95.431 tors. eta vs tors. theta energy: -193.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2162.333009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.333009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.333009 (E_RNA) where: Base-Base interactions energy: -1372.198 where: short stacking energy: -653.589 Base-Backbone interact. energy: -0.892 local terms energy: -789.243609 where: bonds (distance) C4'-P energy: -167.837 bonds (distance) P-C4' energy: -159.135 flat angles C4'-P-C4' energy: -165.689 flat angles P-C4'-P energy: -119.970 tors. eta vs tors. theta energy: -176.613 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: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2096.050948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.050948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.050948 (E_RNA) where: Base-Base interactions energy: -1378.836 where: short stacking energy: -588.124 Base-Backbone interact. energy: -0.696 local terms energy: -716.519006 where: bonds (distance) C4'-P energy: -147.173 bonds (distance) P-C4' energy: -170.662 flat angles C4'-P-C4' energy: -168.435 flat angles P-C4'-P energy: -95.255 tors. eta vs tors. theta energy: -134.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1807.788621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.788621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.788621 (E_RNA) where: Base-Base interactions energy: -1137.786 where: short stacking energy: -536.287 Base-Backbone interact. energy: -4.188 local terms energy: -665.814638 where: bonds (distance) C4'-P energy: -138.105 bonds (distance) P-C4' energy: -161.207 flat angles C4'-P-C4' energy: -166.273 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -109.155 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: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1447.836107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.836107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.836107 (E_RNA) where: Base-Base interactions energy: -828.280 where: short stacking energy: -381.287 Base-Backbone interact. energy: -2.019 local terms energy: -617.537320 where: bonds (distance) C4'-P energy: -158.113 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -165.122 flat angles P-C4'-P energy: -107.712 tors. eta vs tors. theta energy: -36.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1145.908788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.908788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.908788 (E_RNA) where: Base-Base interactions energy: -587.976 where: short stacking energy: -314.040 Base-Backbone interact. energy: -3.370 local terms energy: -554.562549 where: bonds (distance) C4'-P energy: -147.181 bonds (distance) P-C4' energy: -159.477 flat angles C4'-P-C4' energy: -135.077 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -20.330 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: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -881.727942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.727942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.727942 (E_RNA) where: Base-Base interactions energy: -428.438 where: short stacking energy: -240.163 Base-Backbone interact. energy: -3.556 local terms energy: -449.733409 where: bonds (distance) C4'-P energy: -135.558 bonds (distance) P-C4' energy: -153.011 flat angles C4'-P-C4' energy: -111.010 flat angles P-C4'-P energy: -68.171 tors. eta vs tors. theta energy: 18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2994.328229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.328229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.328229 (E_RNA) where: Base-Base interactions energy: -2035.069 where: short stacking energy: -889.155 Base-Backbone interact. energy: 1.220 local terms energy: -960.479290 where: bonds (distance) C4'-P energy: -193.544 bonds (distance) P-C4' energy: -189.473 flat angles C4'-P-C4' energy: -205.124 flat angles P-C4'-P energy: -123.379 tors. eta vs tors. theta energy: -248.959 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: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2780.355734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.355734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.355734 (E_RNA) where: Base-Base interactions energy: -1816.600 where: short stacking energy: -838.468 Base-Backbone interact. energy: -2.498 local terms energy: -961.257705 where: bonds (distance) C4'-P energy: -188.221 bonds (distance) P-C4' energy: -194.976 flat angles C4'-P-C4' energy: -200.271 flat angles P-C4'-P energy: -133.059 tors. eta vs tors. theta energy: -244.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2446.857898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.857898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.857898 (E_RNA) where: Base-Base interactions energy: -1626.517 where: short stacking energy: -735.447 Base-Backbone interact. energy: 5.496 local terms energy: -825.836653 where: bonds (distance) C4'-P energy: -174.411 bonds (distance) P-C4' energy: -174.827 flat angles C4'-P-C4' energy: -182.638 flat angles P-C4'-P energy: -129.621 tors. eta vs tors. theta energy: -164.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2419.701361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.701361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.701361 (E_RNA) where: Base-Base interactions energy: -1587.451 where: short stacking energy: -727.820 Base-Backbone interact. energy: -4.655 local terms energy: -827.595850 where: bonds (distance) C4'-P energy: -180.634 bonds (distance) P-C4' energy: -166.264 flat angles C4'-P-C4' energy: -175.070 flat angles P-C4'-P energy: -122.657 tors. eta vs tors. theta energy: -182.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2192.523050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.523050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.523050 (E_RNA) where: Base-Base interactions energy: -1417.499 where: short stacking energy: -635.225 Base-Backbone interact. energy: -1.766 local terms energy: -773.257878 where: bonds (distance) C4'-P energy: -156.687 bonds (distance) P-C4' energy: -177.772 flat angles C4'-P-C4' energy: -173.005 flat angles P-C4'-P energy: -113.824 tors. eta vs tors. theta energy: -151.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2164.539739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.539739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.539739 (E_RNA) where: Base-Base interactions energy: -1456.159 where: short stacking energy: -670.541 Base-Backbone interact. energy: -2.923 local terms energy: -705.457320 where: bonds (distance) C4'-P energy: -158.408 bonds (distance) P-C4' energy: -161.015 flat angles C4'-P-C4' energy: -163.062 flat angles P-C4'-P energy: -86.243 tors. eta vs tors. theta energy: -136.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1769.137230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.137230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.137230 (E_RNA) where: Base-Base interactions energy: -1136.760 where: short stacking energy: -554.371 Base-Backbone interact. energy: 0.517 local terms energy: -632.894057 where: bonds (distance) C4'-P energy: -125.809 bonds (distance) P-C4' energy: -129.049 flat angles C4'-P-C4' energy: -180.110 flat angles P-C4'-P energy: -84.275 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: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1483.892416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.892416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.892416 (E_RNA) where: Base-Base interactions energy: -910.643 where: short stacking energy: -471.604 Base-Backbone interact. energy: -6.756 local terms energy: -566.492802 where: bonds (distance) C4'-P energy: -133.472 bonds (distance) P-C4' energy: -162.264 flat angles C4'-P-C4' energy: -135.790 flat angles P-C4'-P energy: -73.198 tors. eta vs tors. theta energy: -61.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1213.886362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.886362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.886362 (E_RNA) where: Base-Base interactions energy: -641.513 where: short stacking energy: -351.828 Base-Backbone interact. energy: 7.826 local terms energy: -580.199250 where: bonds (distance) C4'-P energy: -160.333 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -100.734 tors. eta vs tors. theta energy: -26.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -882.674954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.674954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.674954 (E_RNA) where: Base-Base interactions energy: -395.012 where: short stacking energy: -243.934 Base-Backbone interact. energy: -0.604 local terms energy: -487.059387 where: bonds (distance) C4'-P energy: -144.122 bonds (distance) P-C4' energy: -160.453 flat angles C4'-P-C4' energy: -116.563 flat angles P-C4'-P energy: -81.495 tors. eta vs tors. theta energy: 15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2996.682220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.682220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.682220 (E_RNA) where: Base-Base interactions energy: -2056.972 where: short stacking energy: -906.523 Base-Backbone interact. energy: -4.939 local terms energy: -934.771398 where: bonds (distance) C4'-P energy: -188.323 bonds (distance) P-C4' energy: -163.542 flat angles C4'-P-C4' energy: -199.136 flat angles P-C4'-P energy: -137.876 tors. eta vs tors. theta energy: -245.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2777.151015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.151015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.151015 (E_RNA) where: Base-Base interactions energy: -1857.048 where: short stacking energy: -838.690 Base-Backbone interact. energy: -6.304 local terms energy: -913.799850 where: bonds (distance) C4'-P energy: -180.041 bonds (distance) P-C4' energy: -168.778 flat angles C4'-P-C4' energy: -203.976 flat angles P-C4'-P energy: -124.599 tors. eta vs tors. theta energy: -236.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2469.452642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.452642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.452642 (E_RNA) where: Base-Base interactions energy: -1593.126 where: short stacking energy: -736.360 Base-Backbone interact. energy: -3.889 local terms energy: -872.437948 where: bonds (distance) C4'-P energy: -171.756 bonds (distance) P-C4' energy: -204.363 flat angles C4'-P-C4' energy: -181.555 flat angles P-C4'-P energy: -123.681 tors. eta vs tors. theta energy: -191.083 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: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2445.881416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.881416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.881416 (E_RNA) where: Base-Base interactions energy: -1628.754 where: short stacking energy: -737.896 Base-Backbone interact. energy: -7.447 local terms energy: -809.679853 where: bonds (distance) C4'-P energy: -175.844 bonds (distance) P-C4' energy: -167.555 flat angles C4'-P-C4' energy: -176.785 flat angles P-C4'-P energy: -107.644 tors. eta vs tors. theta energy: -181.852 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: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2195.287993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.287993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.287993 (E_RNA) where: Base-Base interactions energy: -1400.791 where: short stacking energy: -662.995 Base-Backbone interact. energy: 3.323 local terms energy: -797.819812 where: bonds (distance) C4'-P energy: -160.338 bonds (distance) P-C4' energy: -173.086 flat angles C4'-P-C4' energy: -178.411 flat angles P-C4'-P energy: -119.307 tors. eta vs tors. theta energy: -166.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2221.296721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.296721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.296721 (E_RNA) where: Base-Base interactions energy: -1464.953 where: short stacking energy: -663.153 Base-Backbone interact. energy: 3.288 local terms energy: -759.631344 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -160.626 flat angles C4'-P-C4' energy: -188.025 flat angles P-C4'-P energy: -95.976 tors. eta vs tors. theta energy: -168.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1835.657034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.657034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.657034 (E_RNA) where: Base-Base interactions energy: -1187.195 where: short stacking energy: -565.801 Base-Backbone interact. energy: -1.075 local terms energy: -647.387128 where: bonds (distance) C4'-P energy: -133.757 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -173.690 flat angles P-C4'-P energy: -87.585 tors. eta vs tors. theta energy: -114.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1453.238707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.238707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.238707 (E_RNA) where: Base-Base interactions energy: -890.121 where: short stacking energy: -430.484 Base-Backbone interact. energy: 0.558 local terms energy: -563.675630 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -160.968 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -45.682 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: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1220.047701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.047701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.047701 (E_RNA) where: Base-Base interactions energy: -697.509 where: short stacking energy: -347.961 Base-Backbone interact. energy: -1.013 local terms energy: -521.525824 where: bonds (distance) C4'-P energy: -135.220 bonds (distance) P-C4' energy: -140.481 flat angles C4'-P-C4' energy: -150.055 flat angles P-C4'-P energy: -80.381 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -875.024414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.024414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.024414 (E_RNA) where: Base-Base interactions energy: -439.448 where: short stacking energy: -241.884 Base-Backbone interact. energy: -4.895 local terms energy: -430.681315 where: bonds (distance) C4'-P energy: -131.806 bonds (distance) P-C4' energy: -148.249 flat angles C4'-P-C4' energy: -121.352 flat angles P-C4'-P energy: -59.895 tors. eta vs tors. theta energy: 30.621 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: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3028.848192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.848192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.848192 (E_RNA) where: Base-Base interactions energy: -2053.411 where: short stacking energy: -917.439 Base-Backbone interact. energy: -4.304 local terms energy: -971.133623 where: bonds (distance) C4'-P energy: -184.287 bonds (distance) P-C4' energy: -185.113 flat angles C4'-P-C4' energy: -202.844 flat angles P-C4'-P energy: -148.635 tors. eta vs tors. theta energy: -250.255 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: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2792.797092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.797092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.797092 (E_RNA) where: Base-Base interactions energy: -1850.686 where: short stacking energy: -820.722 Base-Backbone interact. energy: -4.157 local terms energy: -937.954126 where: bonds (distance) C4'-P energy: -177.425 bonds (distance) P-C4' energy: -197.034 flat angles C4'-P-C4' energy: -199.697 flat angles P-C4'-P energy: -127.837 tors. eta vs tors. theta energy: -235.961 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: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2505.511054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.511054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.511054 (E_RNA) where: Base-Base interactions energy: -1655.627 where: short stacking energy: -749.459 Base-Backbone interact. energy: -4.845 local terms energy: -845.038471 where: bonds (distance) C4'-P energy: -153.394 bonds (distance) P-C4' energy: -183.347 flat angles C4'-P-C4' energy: -188.527 flat angles P-C4'-P energy: -127.921 tors. eta vs tors. theta energy: -191.849 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: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2422.942542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.942542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.942542 (E_RNA) where: Base-Base interactions energy: -1613.097 where: short stacking energy: -743.110 Base-Backbone interact. energy: -4.971 local terms energy: -804.874583 where: bonds (distance) C4'-P energy: -151.514 bonds (distance) P-C4' energy: -165.668 flat angles C4'-P-C4' energy: -202.334 flat angles P-C4'-P energy: -107.348 tors. eta vs tors. theta energy: -178.011 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: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2251.661594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.661594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.661594 (E_RNA) where: Base-Base interactions energy: -1449.432 where: short stacking energy: -675.127 Base-Backbone interact. energy: -2.693 local terms energy: -799.537503 where: bonds (distance) C4'-P energy: -160.146 bonds (distance) P-C4' energy: -170.424 flat angles C4'-P-C4' energy: -171.626 flat angles P-C4'-P energy: -119.453 tors. eta vs tors. theta energy: -177.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2273.095086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.095086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.095086 (E_RNA) where: Base-Base interactions energy: -1489.024 where: short stacking energy: -664.913 Base-Backbone interact. energy: 1.613 local terms energy: -785.683292 where: bonds (distance) C4'-P energy: -153.462 bonds (distance) P-C4' energy: -180.191 flat angles C4'-P-C4' energy: -180.041 flat angles P-C4'-P energy: -104.827 tors. eta vs tors. theta energy: -167.162 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: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1735.112001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.112001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.112001 (E_RNA) where: Base-Base interactions energy: -1083.170 where: short stacking energy: -513.533 Base-Backbone interact. energy: 0.858 local terms energy: -652.799401 where: bonds (distance) C4'-P energy: -158.103 bonds (distance) P-C4' energy: -171.783 flat angles C4'-P-C4' energy: -153.209 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -84.749 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: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1512.984138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.984138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.984138 (E_RNA) where: Base-Base interactions energy: -933.488 where: short stacking energy: -466.097 Base-Backbone interact. energy: -2.024 local terms energy: -577.472161 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: -150.421 flat angles C4'-P-C4' energy: -124.279 flat angles P-C4'-P energy: -94.237 tors. eta vs tors. theta energy: -68.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1210.902564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.902564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.902564 (E_RNA) where: Base-Base interactions energy: -657.513 where: short stacking energy: -345.722 Base-Backbone interact. energy: -0.460 local terms energy: -552.929823 where: bonds (distance) C4'-P energy: -159.642 bonds (distance) P-C4' energy: -143.786 flat angles C4'-P-C4' energy: -141.508 flat angles P-C4'-P energy: -86.716 tors. eta vs tors. theta energy: -21.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -845.494039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.494039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.494039 (E_RNA) where: Base-Base interactions energy: -390.473 where: short stacking energy: -248.184 Base-Backbone interact. energy: 3.023 local terms energy: -458.043833 where: bonds (distance) C4'-P energy: -143.651 bonds (distance) P-C4' energy: -157.638 flat angles C4'-P-C4' energy: -128.030 flat angles P-C4'-P energy: -62.366 tors. eta vs tors. theta energy: 33.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3010.165118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.165118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.165118 (E_RNA) where: Base-Base interactions energy: -2041.056 where: short stacking energy: -919.489 Base-Backbone interact. energy: -1.267 local terms energy: -967.842220 where: bonds (distance) C4'-P energy: -179.187 bonds (distance) P-C4' energy: -178.053 flat angles C4'-P-C4' energy: -213.937 flat angles P-C4'-P energy: -144.044 tors. eta vs tors. theta energy: -252.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2789.427980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.427980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.427980 (E_RNA) where: Base-Base interactions energy: -1845.382 where: short stacking energy: -848.138 Base-Backbone interact. energy: -6.874 local terms energy: -937.172044 where: bonds (distance) C4'-P energy: -185.951 bonds (distance) P-C4' energy: -185.826 flat angles C4'-P-C4' energy: -204.112 flat angles P-C4'-P energy: -127.817 tors. eta vs tors. theta energy: -233.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2518.959737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.959737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.959737 (E_RNA) where: Base-Base interactions energy: -1657.758 where: short stacking energy: -738.758 Base-Backbone interact. energy: -7.453 local terms energy: -853.748452 where: bonds (distance) C4'-P energy: -171.372 bonds (distance) P-C4' energy: -177.909 flat angles C4'-P-C4' energy: -189.407 flat angles P-C4'-P energy: -134.447 tors. eta vs tors. theta energy: -180.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2421.738966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.738966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.738966 (E_RNA) where: Base-Base interactions energy: -1610.099 where: short stacking energy: -709.316 Base-Backbone interact. energy: -5.459 local terms energy: -806.180858 where: bonds (distance) C4'-P energy: -171.383 bonds (distance) P-C4' energy: -159.007 flat angles C4'-P-C4' energy: -190.461 flat angles P-C4'-P energy: -107.121 tors. eta vs tors. theta energy: -178.208 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: 89 Temperature: 1.100000 Total energy: -2236.846857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.846857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.846857 (E_RNA) where: Base-Base interactions energy: -1446.819 where: short stacking energy: -678.051 Base-Backbone interact. energy: -5.378 local terms energy: -784.650022 where: bonds (distance) C4'-P energy: -155.789 bonds (distance) P-C4' energy: -168.897 flat angles C4'-P-C4' energy: -177.495 flat angles P-C4'-P energy: -95.710 tors. eta vs tors. theta energy: -186.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2244.278899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.278899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.278899 (E_RNA) where: Base-Base interactions energy: -1493.891 where: short stacking energy: -657.105 Base-Backbone interact. energy: -1.571 local terms energy: -748.816848 where: bonds (distance) C4'-P energy: -150.526 bonds (distance) P-C4' energy: -147.081 flat angles C4'-P-C4' energy: -186.480 flat angles P-C4'-P energy: -102.268 tors. eta vs tors. theta energy: -162.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1647.742134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.742134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.742134 (E_RNA) where: Base-Base interactions energy: -1009.357 where: short stacking energy: -484.789 Base-Backbone interact. energy: -1.369 local terms energy: -637.016224 where: bonds (distance) C4'-P energy: -142.879 bonds (distance) P-C4' energy: -163.210 flat angles C4'-P-C4' energy: -144.719 flat angles P-C4'-P energy: -94.378 tors. eta vs tors. theta energy: -91.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1494.184266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.184266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.184266 (E_RNA) where: Base-Base interactions energy: -922.931 where: short stacking energy: -451.476 Base-Backbone interact. energy: -1.419 local terms energy: -569.834495 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -147.831 flat angles P-C4'-P energy: -86.042 tors. eta vs tors. theta energy: -45.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1186.486946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.486946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.486946 (E_RNA) where: Base-Base interactions energy: -627.914 where: short stacking energy: -350.870 Base-Backbone interact. energy: -1.882 local terms energy: -556.691428 where: bonds (distance) C4'-P energy: -140.166 bonds (distance) P-C4' energy: -169.215 flat angles C4'-P-C4' energy: -130.758 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -29.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -848.057099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.057099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.057099 (E_RNA) where: Base-Base interactions energy: -366.553 where: short stacking energy: -212.514 Base-Backbone interact. energy: 6.459 local terms energy: -487.963271 where: bonds (distance) C4'-P energy: -148.628 bonds (distance) P-C4' energy: -145.683 flat angles C4'-P-C4' energy: -129.871 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: 21.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3060.105323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.105323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.105323 (E_RNA) where: Base-Base interactions energy: -2079.093 where: short stacking energy: -958.106 Base-Backbone interact. energy: -2.911 local terms energy: -978.101778 where: bonds (distance) C4'-P energy: -172.143 bonds (distance) P-C4' energy: -182.473 flat angles C4'-P-C4' energy: -210.516 flat angles P-C4'-P energy: -143.101 tors. eta vs tors. theta energy: -269.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2798.243145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.243145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.243145 (E_RNA) where: Base-Base interactions energy: -1892.124 where: short stacking energy: -842.239 Base-Backbone interact. energy: -5.353 local terms energy: -900.766417 where: bonds (distance) C4'-P energy: -167.483 bonds (distance) P-C4' energy: -183.192 flat angles C4'-P-C4' energy: -188.230 flat angles P-C4'-P energy: -138.179 tors. eta vs tors. theta energy: -223.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2464.055222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.055222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.055222 (E_RNA) where: Base-Base interactions energy: -1652.287 where: short stacking energy: -748.946 Base-Backbone interact. energy: -4.626 local terms energy: -807.142197 where: bonds (distance) C4'-P energy: -154.533 bonds (distance) P-C4' energy: -179.948 flat angles C4'-P-C4' energy: -188.498 flat angles P-C4'-P energy: -120.752 tors. eta vs tors. theta energy: -163.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2440.250941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.250941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.250941 (E_RNA) where: Base-Base interactions energy: -1615.025 where: short stacking energy: -752.535 Base-Backbone interact. energy: -2.794 local terms energy: -822.431765 where: bonds (distance) C4'-P energy: -154.586 bonds (distance) P-C4' energy: -171.529 flat angles C4'-P-C4' energy: -188.334 flat angles P-C4'-P energy: -120.026 tors. eta vs tors. theta energy: -187.956 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: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2149.714575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.714575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.714575 (E_RNA) where: Base-Base interactions energy: -1364.569 where: short stacking energy: -667.036 Base-Backbone interact. energy: -4.143 local terms energy: -781.003144 where: bonds (distance) C4'-P energy: -151.216 bonds (distance) P-C4' energy: -175.001 flat angles C4'-P-C4' energy: -174.888 flat angles P-C4'-P energy: -111.046 tors. eta vs tors. theta energy: -168.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2328.796086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.796086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.796086 (E_RNA) where: Base-Base interactions energy: -1597.144 where: short stacking energy: -717.855 Base-Backbone interact. energy: -2.482 local terms energy: -729.169962 where: bonds (distance) C4'-P energy: -142.949 bonds (distance) P-C4' energy: -163.147 flat angles C4'-P-C4' energy: -161.118 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -168.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1649.471692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.471692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.471692 (E_RNA) where: Base-Base interactions energy: -1006.827 where: short stacking energy: -484.236 Base-Backbone interact. energy: -2.881 local terms energy: -639.764202 where: bonds (distance) C4'-P energy: -120.142 bonds (distance) P-C4' energy: -130.334 flat angles C4'-P-C4' energy: -152.073 flat angles P-C4'-P energy: -129.866 tors. eta vs tors. theta energy: -107.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1396.573479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.573479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.573479 (E_RNA) where: Base-Base interactions energy: -814.589 where: short stacking energy: -418.727 Base-Backbone interact. energy: 3.904 local terms energy: -585.888691 where: bonds (distance) C4'-P energy: -142.248 bonds (distance) P-C4' energy: -156.232 flat angles C4'-P-C4' energy: -147.977 flat angles P-C4'-P energy: -102.948 tors. eta vs tors. theta energy: -36.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1243.357462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.357462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.357462 (E_RNA) where: Base-Base interactions energy: -698.455 where: short stacking energy: -383.716 Base-Backbone interact. energy: -0.426 local terms energy: -544.476684 where: bonds (distance) C4'-P energy: -159.951 bonds (distance) P-C4' energy: -130.336 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -72.534 tors. eta vs tors. theta energy: -44.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -816.270359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.270359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.270359 (E_RNA) where: Base-Base interactions energy: -352.387 where: short stacking energy: -219.516 Base-Backbone interact. energy: 0.048 local terms energy: -463.931102 where: bonds (distance) C4'-P energy: -130.631 bonds (distance) P-C4' energy: -161.350 flat angles C4'-P-C4' energy: -105.155 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: 14.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3055.809075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.809075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.809075 (E_RNA) where: Base-Base interactions energy: -2068.270 where: short stacking energy: -953.657 Base-Backbone interact. energy: -2.930 local terms energy: -984.608659 where: bonds (distance) C4'-P energy: -185.721 bonds (distance) P-C4' energy: -185.701 flat angles C4'-P-C4' energy: -215.030 flat angles P-C4'-P energy: -130.036 tors. eta vs tors. theta energy: -268.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2792.481114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.481114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.481114 (E_RNA) where: Base-Base interactions energy: -1887.348 where: short stacking energy: -822.428 Base-Backbone interact. energy: -1.884 local terms energy: -903.248636 where: bonds (distance) C4'-P energy: -170.097 bonds (distance) P-C4' energy: -178.953 flat angles C4'-P-C4' energy: -203.664 flat angles P-C4'-P energy: -132.044 tors. eta vs tors. theta energy: -218.490 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: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2477.803691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.803691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.803691 (E_RNA) where: Base-Base interactions energy: -1644.171 where: short stacking energy: -744.253 Base-Backbone interact. energy: -3.844 local terms energy: -829.788612 where: bonds (distance) C4'-P energy: -167.281 bonds (distance) P-C4' energy: -179.096 flat angles C4'-P-C4' energy: -192.075 flat angles P-C4'-P energy: -115.223 tors. eta vs tors. theta energy: -176.114 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: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2392.750513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.750513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.750513 (E_RNA) where: Base-Base interactions energy: -1585.083 where: short stacking energy: -735.062 Base-Backbone interact. energy: -3.468 local terms energy: -804.199600 where: bonds (distance) C4'-P energy: -165.538 bonds (distance) P-C4' energy: -178.861 flat angles C4'-P-C4' energy: -169.668 flat angles P-C4'-P energy: -111.900 tors. eta vs tors. theta energy: -178.233 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: 91 Temperature: 1.100000 Total energy: -2231.387495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.387495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.387495 (E_RNA) where: Base-Base interactions energy: -1439.378 where: short stacking energy: -684.678 Base-Backbone interact. energy: -2.265 local terms energy: -789.743930 where: bonds (distance) C4'-P energy: -160.569 bonds (distance) P-C4' energy: -153.890 flat angles C4'-P-C4' energy: -170.609 flat angles P-C4'-P energy: -120.508 tors. eta vs tors. theta energy: -184.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2281.794338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.794338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.794338 (E_RNA) where: Base-Base interactions energy: -1494.124 where: short stacking energy: -675.405 Base-Backbone interact. energy: -0.202 local terms energy: -787.468183 where: bonds (distance) C4'-P energy: -141.476 bonds (distance) P-C4' energy: -149.039 flat angles C4'-P-C4' energy: -181.561 flat angles P-C4'-P energy: -127.390 tors. eta vs tors. theta energy: -188.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1688.598704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.598704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.598704 (E_RNA) where: Base-Base interactions energy: -1040.473 where: short stacking energy: -511.008 Base-Backbone interact. energy: 1.456 local terms energy: -649.581298 where: bonds (distance) C4'-P energy: -127.984 bonds (distance) P-C4' energy: -170.836 flat angles C4'-P-C4' energy: -156.891 flat angles P-C4'-P energy: -100.095 tors. eta vs tors. theta energy: -93.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1448.111249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.111249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.111249 (E_RNA) where: Base-Base interactions energy: -870.264 where: short stacking energy: -426.752 Base-Backbone interact. energy: 6.421 local terms energy: -584.268572 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -164.573 flat angles C4'-P-C4' energy: -156.009 flat angles P-C4'-P energy: -73.596 tors. eta vs tors. theta energy: -38.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1227.365972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.365972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.365972 (E_RNA) where: Base-Base interactions energy: -685.087 where: short stacking energy: -368.871 Base-Backbone interact. energy: 2.580 local terms energy: -544.859522 where: bonds (distance) C4'-P energy: -130.773 bonds (distance) P-C4' energy: -143.534 flat angles C4'-P-C4' energy: -149.485 flat angles P-C4'-P energy: -79.297 tors. eta vs tors. theta energy: -41.771 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: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -885.583749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.583749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.583749 (E_RNA) where: Base-Base interactions energy: -384.858 where: short stacking energy: -244.763 Base-Backbone interact. energy: 6.246 local terms energy: -506.971573 where: bonds (distance) C4'-P energy: -135.750 bonds (distance) P-C4' energy: -162.861 flat angles C4'-P-C4' energy: -136.224 flat angles P-C4'-P energy: -88.472 tors. eta vs tors. theta energy: 16.336 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: 92 Temperature: 0.900000 Total energy: -3060.008617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.008617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.008617 (E_RNA) where: Base-Base interactions energy: -2086.601 where: short stacking energy: -924.258 Base-Backbone interact. energy: 0.273 local terms energy: -973.680197 where: bonds (distance) C4'-P energy: -174.280 bonds (distance) P-C4' energy: -188.216 flat angles C4'-P-C4' energy: -216.193 flat angles P-C4'-P energy: -128.854 tors. eta vs tors. theta energy: -266.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2864.869305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.869305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.869305 (E_RNA) where: Base-Base interactions energy: -1963.581 where: short stacking energy: -837.744 Base-Backbone interact. energy: -8.524 local terms energy: -892.764365 where: bonds (distance) C4'-P energy: -181.456 bonds (distance) P-C4' energy: -174.046 flat angles C4'-P-C4' energy: -201.189 flat angles P-C4'-P energy: -116.139 tors. eta vs tors. theta energy: -219.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2528.980923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.980923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.980923 (E_RNA) where: Base-Base interactions energy: -1667.085 where: short stacking energy: -717.453 Base-Backbone interact. energy: -4.564 local terms energy: -857.332463 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -188.124 flat angles C4'-P-C4' energy: -203.179 flat angles P-C4'-P energy: -131.743 tors. eta vs tors. theta energy: -177.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2380.735864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.735864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.735864 (E_RNA) where: Base-Base interactions energy: -1545.244 where: short stacking energy: -737.560 Base-Backbone interact. energy: -1.408 local terms energy: -834.084331 where: bonds (distance) C4'-P energy: -165.555 bonds (distance) P-C4' energy: -173.766 flat angles C4'-P-C4' energy: -191.245 flat angles P-C4'-P energy: -113.376 tors. eta vs tors. theta energy: -190.143 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: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2255.959705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.959705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.959705 (E_RNA) where: Base-Base interactions energy: -1462.493 where: short stacking energy: -706.817 Base-Backbone interact. energy: -1.438 local terms energy: -792.028958 where: bonds (distance) C4'-P energy: -154.229 bonds (distance) P-C4' energy: -169.278 flat angles C4'-P-C4' energy: -174.513 flat angles P-C4'-P energy: -114.322 tors. eta vs tors. theta energy: -179.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2263.247403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.247403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.247403 (E_RNA) where: Base-Base interactions energy: -1500.092 where: short stacking energy: -670.922 Base-Backbone interact. energy: -1.723 local terms energy: -761.432101 where: bonds (distance) C4'-P energy: -163.573 bonds (distance) P-C4' energy: -153.790 flat angles C4'-P-C4' energy: -160.822 flat angles P-C4'-P energy: -117.918 tors. eta vs tors. theta energy: -165.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1752.863292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.863292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.863292 (E_RNA) where: Base-Base interactions energy: -1097.174 where: short stacking energy: -557.913 Base-Backbone interact. energy: 3.788 local terms energy: -659.477296 where: bonds (distance) C4'-P energy: -150.151 bonds (distance) P-C4' energy: -171.349 flat angles C4'-P-C4' energy: -163.859 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -99.544 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: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1494.420689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.420689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.420689 (E_RNA) where: Base-Base interactions energy: -924.767 where: short stacking energy: -433.721 Base-Backbone interact. energy: -2.697 local terms energy: -566.956270 where: bonds (distance) C4'-P energy: -126.594 bonds (distance) P-C4' energy: -144.091 flat angles C4'-P-C4' energy: -167.779 flat angles P-C4'-P energy: -76.214 tors. eta vs tors. theta energy: -52.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1200.508816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.508816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.508816 (E_RNA) where: Base-Base interactions energy: -671.165 where: short stacking energy: -348.665 Base-Backbone interact. energy: -0.084 local terms energy: -529.259611 where: bonds (distance) C4'-P energy: -146.817 bonds (distance) P-C4' energy: -157.747 flat angles C4'-P-C4' energy: -140.526 flat angles P-C4'-P energy: -75.481 tors. eta vs tors. theta energy: -8.688 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: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -965.374405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.374405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.374405 (E_RNA) where: Base-Base interactions energy: -481.446 where: short stacking energy: -267.850 Base-Backbone interact. energy: 0.078 local terms energy: -484.007059 where: bonds (distance) C4'-P energy: -133.199 bonds (distance) P-C4' energy: -157.681 flat angles C4'-P-C4' energy: -125.068 flat angles P-C4'-P energy: -79.751 tors. eta vs tors. theta energy: 11.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3039.507837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.507837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.507837 (E_RNA) where: Base-Base interactions energy: -2079.111 where: short stacking energy: -905.817 Base-Backbone interact. energy: -3.011 local terms energy: -957.385262 where: bonds (distance) C4'-P energy: -172.733 bonds (distance) P-C4' energy: -184.366 flat angles C4'-P-C4' energy: -210.636 flat angles P-C4'-P energy: -135.290 tors. eta vs tors. theta energy: -254.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2865.452594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.452594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.452594 (E_RNA) where: Base-Base interactions energy: -1952.782 where: short stacking energy: -829.940 Base-Backbone interact. energy: -3.479 local terms energy: -909.191643 where: bonds (distance) C4'-P energy: -180.146 bonds (distance) P-C4' energy: -190.079 flat angles C4'-P-C4' energy: -188.884 flat angles P-C4'-P energy: -118.311 tors. eta vs tors. theta energy: -231.771 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: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2495.382912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.382912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.382912 (E_RNA) where: Base-Base interactions energy: -1629.269 where: short stacking energy: -710.732 Base-Backbone interact. energy: -1.997 local terms energy: -864.117150 where: bonds (distance) C4'-P energy: -176.033 bonds (distance) P-C4' energy: -172.119 flat angles C4'-P-C4' energy: -196.089 flat angles P-C4'-P energy: -132.390 tors. eta vs tors. theta energy: -187.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2408.012506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.012506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.012506 (E_RNA) where: Base-Base interactions energy: -1592.024 where: short stacking energy: -735.048 Base-Backbone interact. energy: -3.267 local terms energy: -812.721479 where: bonds (distance) C4'-P energy: -161.958 bonds (distance) P-C4' energy: -172.992 flat angles C4'-P-C4' energy: -184.372 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -188.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2299.969262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.969262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.969262 (E_RNA) where: Base-Base interactions energy: -1500.039 where: short stacking energy: -759.860 Base-Backbone interact. energy: 0.509 local terms energy: -800.438917 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -168.480 flat angles C4'-P-C4' energy: -177.246 flat angles P-C4'-P energy: -117.969 tors. eta vs tors. theta energy: -192.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2198.922583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.922583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.922583 (E_RNA) where: Base-Base interactions energy: -1397.396 where: short stacking energy: -631.675 Base-Backbone interact. energy: -5.375 local terms energy: -796.151825 where: bonds (distance) C4'-P energy: -168.545 bonds (distance) P-C4' energy: -190.587 flat angles C4'-P-C4' energy: -181.167 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -149.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1743.189236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.189236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.189236 (E_RNA) where: Base-Base interactions energy: -1094.399 where: short stacking energy: -535.449 Base-Backbone interact. energy: 1.744 local terms energy: -650.533679 where: bonds (distance) C4'-P energy: -145.759 bonds (distance) P-C4' energy: -153.909 flat angles C4'-P-C4' energy: -137.286 flat angles P-C4'-P energy: -97.496 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: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1500.247849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.247849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.247849 (E_RNA) where: Base-Base interactions energy: -927.113 where: short stacking energy: -420.201 Base-Backbone interact. energy: 2.128 local terms energy: -575.262735 where: bonds (distance) C4'-P energy: -144.321 bonds (distance) P-C4' energy: -154.239 flat angles C4'-P-C4' energy: -151.945 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -56.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1216.190753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.190753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.190753 (E_RNA) where: Base-Base interactions energy: -650.589 where: short stacking energy: -365.301 Base-Backbone interact. energy: -5.837 local terms energy: -559.764882 where: bonds (distance) C4'-P energy: -153.297 bonds (distance) P-C4' energy: -143.335 flat angles C4'-P-C4' energy: -137.951 flat angles P-C4'-P energy: -94.502 tors. eta vs tors. theta energy: -30.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1039.324867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.324867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.324867 (E_RNA) where: Base-Base interactions energy: -523.653 where: short stacking energy: -270.256 Base-Backbone interact. energy: 3.158 local terms energy: -518.829849 where: bonds (distance) C4'-P energy: -137.134 bonds (distance) P-C4' energy: -162.111 flat angles C4'-P-C4' energy: -142.155 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -4.523 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: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -3037.253688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.253688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.253688 (E_RNA) where: Base-Base interactions energy: -2075.860 where: short stacking energy: -909.069 Base-Backbone interact. energy: -6.635 local terms energy: -954.758530 where: bonds (distance) C4'-P energy: -166.890 bonds (distance) P-C4' energy: -189.958 flat angles C4'-P-C4' energy: -217.056 flat angles P-C4'-P energy: -124.998 tors. eta vs tors. theta energy: -255.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2875.199301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.199301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.199301 (E_RNA) where: Base-Base interactions energy: -1955.507 where: short stacking energy: -869.316 Base-Backbone interact. energy: -6.433 local terms energy: -913.258410 where: bonds (distance) C4'-P energy: -169.177 bonds (distance) P-C4' energy: -179.446 flat angles C4'-P-C4' energy: -198.007 flat angles P-C4'-P energy: -131.285 tors. eta vs tors. theta energy: -235.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2512.727747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.727747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.727747 (E_RNA) where: Base-Base interactions energy: -1652.812 where: short stacking energy: -743.591 Base-Backbone interact. energy: -7.414 local terms energy: -852.502321 where: bonds (distance) C4'-P energy: -167.646 bonds (distance) P-C4' energy: -186.392 flat angles C4'-P-C4' energy: -182.488 flat angles P-C4'-P energy: -128.415 tors. eta vs tors. theta energy: -187.561 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: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2432.939756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.939756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.939756 (E_RNA) where: Base-Base interactions energy: -1587.082 where: short stacking energy: -722.145 Base-Backbone interact. energy: -4.355 local terms energy: -841.503221 where: bonds (distance) C4'-P energy: -181.346 bonds (distance) P-C4' energy: -166.264 flat angles C4'-P-C4' energy: -192.388 flat angles P-C4'-P energy: -118.436 tors. eta vs tors. theta energy: -183.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2261.443818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.443818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.443818 (E_RNA) where: Base-Base interactions energy: -1461.864 where: short stacking energy: -721.693 Base-Backbone interact. energy: -1.565 local terms energy: -798.014880 where: bonds (distance) C4'-P energy: -134.601 bonds (distance) P-C4' energy: -183.381 flat angles C4'-P-C4' energy: -178.092 flat angles P-C4'-P energy: -118.158 tors. eta vs tors. theta energy: -183.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2258.440676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.440676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.440676 (E_RNA) where: Base-Base interactions energy: -1481.607 where: short stacking energy: -649.235 Base-Backbone interact. energy: 2.790 local terms energy: -779.624369 where: bonds (distance) C4'-P energy: -142.171 bonds (distance) P-C4' energy: -168.989 flat angles C4'-P-C4' energy: -182.565 flat angles P-C4'-P energy: -114.942 tors. eta vs tors. theta energy: -170.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1744.039800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.039800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.039800 (E_RNA) where: Base-Base interactions energy: -1056.672 where: short stacking energy: -534.844 Base-Backbone interact. energy: -3.838 local terms energy: -683.530047 where: bonds (distance) C4'-P energy: -155.568 bonds (distance) P-C4' energy: -153.489 flat angles C4'-P-C4' energy: -166.129 flat angles P-C4'-P energy: -94.888 tors. eta vs tors. theta energy: -113.455 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: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1541.647720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.647720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.647720 (E_RNA) where: Base-Base interactions energy: -940.718 where: short stacking energy: -471.838 Base-Backbone interact. energy: 1.156 local terms energy: -602.086406 where: bonds (distance) C4'-P energy: -160.975 bonds (distance) P-C4' energy: -147.267 flat angles C4'-P-C4' energy: -131.970 flat angles P-C4'-P energy: -85.361 tors. eta vs tors. theta energy: -76.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1195.178234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.178234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.178234 (E_RNA) where: Base-Base interactions energy: -668.162 where: short stacking energy: -319.995 Base-Backbone interact. energy: 5.013 local terms energy: -532.029702 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -143.597 flat angles P-C4'-P energy: -87.326 tors. eta vs tors. theta energy: -20.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -946.462573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.462573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.462573 (E_RNA) where: Base-Base interactions energy: -494.352 where: short stacking energy: -288.767 Base-Backbone interact. energy: 0.199 local terms energy: -452.309735 where: bonds (distance) C4'-P energy: -121.442 bonds (distance) P-C4' energy: -141.899 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -76.134 tors. eta vs tors. theta energy: 5.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3054.659433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.659433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.659433 (E_RNA) where: Base-Base interactions energy: -2094.234 where: short stacking energy: -923.012 Base-Backbone interact. energy: -6.867 local terms energy: -953.558215 where: bonds (distance) C4'-P energy: -172.465 bonds (distance) P-C4' energy: -181.221 flat angles C4'-P-C4' energy: -209.194 flat angles P-C4'-P energy: -125.972 tors. eta vs tors. theta energy: -264.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2849.857499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.857499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.857499 (E_RNA) where: Base-Base interactions energy: -1955.195 where: short stacking energy: -858.718 Base-Backbone interact. energy: -2.961 local terms energy: -891.700747 where: bonds (distance) C4'-P energy: -182.984 bonds (distance) P-C4' energy: -168.840 flat angles C4'-P-C4' energy: -197.749 flat angles P-C4'-P energy: -118.611 tors. eta vs tors. theta energy: -223.517 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: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2527.127155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.127155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.127155 (E_RNA) where: Base-Base interactions energy: -1687.714 where: short stacking energy: -768.338 Base-Backbone interact. energy: -2.109 local terms energy: -837.304143 where: bonds (distance) C4'-P energy: -178.425 bonds (distance) P-C4' energy: -167.826 flat angles C4'-P-C4' energy: -177.427 flat angles P-C4'-P energy: -118.031 tors. eta vs tors. theta energy: -195.596 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: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2432.749869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.749869 (E_RNA) where: Base-Base interactions energy: -1594.694 where: short stacking energy: -725.242 Base-Backbone interact. energy: -7.313 local terms energy: -830.742784 where: bonds (distance) C4'-P energy: -166.141 bonds (distance) P-C4' energy: -173.851 flat angles C4'-P-C4' energy: -182.328 flat angles P-C4'-P energy: -118.652 tors. eta vs tors. theta energy: -189.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2278.633196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.633196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.633196 (E_RNA) where: Base-Base interactions energy: -1458.782 where: short stacking energy: -720.958 Base-Backbone interact. energy: -1.321 local terms energy: -818.529473 where: bonds (distance) C4'-P energy: -152.019 bonds (distance) P-C4' energy: -175.914 flat angles C4'-P-C4' energy: -175.210 flat angles P-C4'-P energy: -117.771 tors. eta vs tors. theta energy: -197.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2239.400665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.400665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.400665 (E_RNA) where: Base-Base interactions energy: -1507.388 where: short stacking energy: -673.096 Base-Backbone interact. energy: -1.214 local terms energy: -730.798606 where: bonds (distance) C4'-P energy: -146.667 bonds (distance) P-C4' energy: -139.302 flat angles C4'-P-C4' energy: -164.330 flat angles P-C4'-P energy: -107.352 tors. eta vs tors. theta energy: -173.147 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: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1652.133919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.133919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.133919 (E_RNA) where: Base-Base interactions energy: -1003.726 where: short stacking energy: -504.476 Base-Backbone interact. energy: 2.974 local terms energy: -651.381872 where: bonds (distance) C4'-P energy: -165.934 bonds (distance) P-C4' energy: -165.003 flat angles C4'-P-C4' energy: -146.253 flat angles P-C4'-P energy: -85.674 tors. eta vs tors. theta energy: -88.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1567.704478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.704478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.704478 (E_RNA) where: Base-Base interactions energy: -957.364 where: short stacking energy: -447.897 Base-Backbone interact. energy: -1.630 local terms energy: -608.710808 where: bonds (distance) C4'-P energy: -150.733 bonds (distance) P-C4' energy: -163.409 flat angles C4'-P-C4' energy: -148.975 flat angles P-C4'-P energy: -82.397 tors. eta vs tors. theta energy: -63.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1249.917207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.917207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.917207 (E_RNA) where: Base-Base interactions energy: -696.703 where: short stacking energy: -370.720 Base-Backbone interact. energy: 0.377 local terms energy: -553.591519 where: bonds (distance) C4'-P energy: -164.519 bonds (distance) P-C4' energy: -127.403 flat angles C4'-P-C4' energy: -142.698 flat angles P-C4'-P energy: -74.783 tors. eta vs tors. theta energy: -44.188 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: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -948.344890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.344890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.344890 (E_RNA) where: Base-Base interactions energy: -467.320 where: short stacking energy: -280.861 Base-Backbone interact. energy: -0.540 local terms energy: -480.484821 where: bonds (distance) C4'-P energy: -148.395 bonds (distance) P-C4' energy: -141.569 flat angles C4'-P-C4' energy: -129.351 flat angles P-C4'-P energy: -70.103 tors. eta vs tors. theta energy: 8.933 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: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3053.167679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.167679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.167679 (E_RNA) where: Base-Base interactions energy: -2087.729 where: short stacking energy: -918.747 Base-Backbone interact. energy: -6.280 local terms energy: -959.159183 where: bonds (distance) C4'-P energy: -189.198 bonds (distance) P-C4' energy: -173.778 flat angles C4'-P-C4' energy: -209.107 flat angles P-C4'-P energy: -139.977 tors. eta vs tors. theta energy: -247.099 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: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2889.788559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.788559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.788559 (E_RNA) where: Base-Base interactions energy: -1967.863 where: short stacking energy: -879.778 Base-Backbone interact. energy: 1.255 local terms energy: -923.180387 where: bonds (distance) C4'-P energy: -175.184 bonds (distance) P-C4' energy: -170.838 flat angles C4'-P-C4' energy: -193.144 flat angles P-C4'-P energy: -131.918 tors. eta vs tors. theta energy: -252.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2508.718474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.718474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.718474 (E_RNA) where: Base-Base interactions energy: -1670.871 where: short stacking energy: -796.514 Base-Backbone interact. energy: 0.304 local terms energy: -838.151479 where: bonds (distance) C4'-P energy: -150.863 bonds (distance) P-C4' energy: -159.790 flat angles C4'-P-C4' energy: -185.286 flat angles P-C4'-P energy: -128.087 tors. eta vs tors. theta energy: -214.126 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2467.783527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.783527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.783527 (E_RNA) where: Base-Base interactions energy: -1625.697 where: short stacking energy: -745.047 Base-Backbone interact. energy: 4.586 local terms energy: -846.673007 where: bonds (distance) C4'-P energy: -175.766 bonds (distance) P-C4' energy: -170.900 flat angles C4'-P-C4' energy: -177.755 flat angles P-C4'-P energy: -117.130 tors. eta vs tors. theta energy: -205.121 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: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2334.810606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.810606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.810606 (E_RNA) where: Base-Base interactions energy: -1551.955 where: short stacking energy: -713.272 Base-Backbone interact. energy: -4.217 local terms energy: -778.638858 where: bonds (distance) C4'-P energy: -163.310 bonds (distance) P-C4' energy: -164.507 flat angles C4'-P-C4' energy: -165.400 flat angles P-C4'-P energy: -101.638 tors. eta vs tors. theta energy: -183.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2281.938297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.938297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.938297 (E_RNA) where: Base-Base interactions energy: -1521.814 where: short stacking energy: -691.164 Base-Backbone interact. energy: 2.227 local terms energy: -762.351016 where: bonds (distance) C4'-P energy: -145.696 bonds (distance) P-C4' energy: -169.635 flat angles C4'-P-C4' energy: -160.424 flat angles P-C4'-P energy: -121.145 tors. eta vs tors. theta energy: -165.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1775.709668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.709668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.709668 (E_RNA) where: Base-Base interactions energy: -1090.851 where: short stacking energy: -530.029 Base-Backbone interact. energy: -2.115 local terms energy: -682.743794 where: bonds (distance) C4'-P energy: -157.949 bonds (distance) P-C4' energy: -166.212 flat angles C4'-P-C4' energy: -153.886 flat angles P-C4'-P energy: -94.833 tors. eta vs tors. theta energy: -109.863 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: 96 Temperature: 1.250000 Total energy: -1512.271568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.271568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.271568 (E_RNA) where: Base-Base interactions energy: -910.788 where: short stacking energy: -457.166 Base-Backbone interact. energy: -1.280 local terms energy: -600.203352 where: bonds (distance) C4'-P energy: -113.990 bonds (distance) P-C4' energy: -156.448 flat angles C4'-P-C4' energy: -159.904 flat angles P-C4'-P energy: -95.748 tors. eta vs tors. theta energy: -74.113 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: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1309.323171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.323171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.323171 (E_RNA) where: Base-Base interactions energy: -748.339 where: short stacking energy: -394.258 Base-Backbone interact. energy: 1.038 local terms energy: -562.022401 where: bonds (distance) C4'-P energy: -125.716 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -149.230 flat angles P-C4'-P energy: -90.618 tors. eta vs tors. theta energy: -43.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -863.665070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.665070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.665070 (E_RNA) where: Base-Base interactions energy: -387.052 where: short stacking energy: -243.774 Base-Backbone interact. energy: 16.610 local terms energy: -493.223005 where: bonds (distance) C4'-P energy: -124.977 bonds (distance) P-C4' energy: -166.008 flat angles C4'-P-C4' energy: -139.652 flat angles P-C4'-P energy: -87.518 tors. eta vs tors. theta energy: 24.933 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: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3048.266099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.266099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.266099 (E_RNA) where: Base-Base interactions energy: -2068.295 where: short stacking energy: -910.890 Base-Backbone interact. energy: -5.888 local terms energy: -974.083209 where: bonds (distance) C4'-P energy: -178.622 bonds (distance) P-C4' energy: -184.827 flat angles C4'-P-C4' energy: -223.135 flat angles P-C4'-P energy: -138.642 tors. eta vs tors. theta energy: -248.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2905.291351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.291351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.291351 (E_RNA) where: Base-Base interactions energy: -1959.085 where: short stacking energy: -880.036 Base-Backbone interact. energy: -8.646 local terms energy: -937.559450 where: bonds (distance) C4'-P energy: -167.226 bonds (distance) P-C4' energy: -194.781 flat angles C4'-P-C4' energy: -200.086 flat angles P-C4'-P energy: -135.542 tors. eta vs tors. theta energy: -239.925 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: 97 Temperature: 1.000000 Total energy: -2505.008946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.008946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.008946 (E_RNA) where: Base-Base interactions energy: -1643.764 where: short stacking energy: -744.077 Base-Backbone interact. energy: -6.027 local terms energy: -855.218173 where: bonds (distance) C4'-P energy: -159.127 bonds (distance) P-C4' energy: -183.431 flat angles C4'-P-C4' energy: -203.708 flat angles P-C4'-P energy: -123.671 tors. eta vs tors. theta energy: -185.281 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: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2498.944700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.944700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.944700 (E_RNA) where: Base-Base interactions energy: -1657.873 where: short stacking energy: -750.828 Base-Backbone interact. energy: -1.257 local terms energy: -839.814627 where: bonds (distance) C4'-P energy: -160.170 bonds (distance) P-C4' energy: -170.868 flat angles C4'-P-C4' energy: -183.040 flat angles P-C4'-P energy: -124.029 tors. eta vs tors. theta energy: -201.708 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: 97 Temperature: 1.100000 Total energy: -2203.306377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.306377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.306377 (E_RNA) where: Base-Base interactions energy: -1432.552 where: short stacking energy: -688.452 Base-Backbone interact. energy: 4.261 local terms energy: -775.015969 where: bonds (distance) C4'-P energy: -167.121 bonds (distance) P-C4' energy: -159.481 flat angles C4'-P-C4' energy: -185.537 flat angles P-C4'-P energy: -103.430 tors. eta vs tors. theta energy: -159.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2195.014528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.014528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.014528 (E_RNA) where: Base-Base interactions energy: -1440.928 where: short stacking energy: -647.796 Base-Backbone interact. energy: -2.908 local terms energy: -751.178645 where: bonds (distance) C4'-P energy: -146.712 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -174.026 flat angles P-C4'-P energy: -101.680 tors. eta vs tors. theta energy: -166.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1990.710361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.710361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.710361 (E_RNA) where: Base-Base interactions energy: -1261.026 where: short stacking energy: -573.299 Base-Backbone interact. energy: -7.538 local terms energy: -722.146191 where: bonds (distance) C4'-P energy: -159.811 bonds (distance) P-C4' energy: -155.520 flat angles C4'-P-C4' energy: -165.873 flat angles P-C4'-P energy: -112.975 tors. eta vs tors. theta energy: -127.968 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: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1469.434082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.434082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.434082 (E_RNA) where: Base-Base interactions energy: -936.940 where: short stacking energy: -457.998 Base-Backbone interact. energy: 4.634 local terms energy: -537.128497 where: bonds (distance) C4'-P energy: -114.247 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -151.153 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -29.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1297.064667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.064667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.064667 (E_RNA) where: Base-Base interactions energy: -710.713 where: short stacking energy: -373.110 Base-Backbone interact. energy: -0.445 local terms energy: -585.906583 where: bonds (distance) C4'-P energy: -157.162 bonds (distance) P-C4' energy: -167.500 flat angles C4'-P-C4' energy: -140.610 flat angles P-C4'-P energy: -81.657 tors. eta vs tors. theta energy: -38.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -830.487040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.487040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.487040 (E_RNA) where: Base-Base interactions energy: -395.468 where: short stacking energy: -210.489 Base-Backbone interact. energy: -0.788 local terms energy: -434.231670 where: bonds (distance) C4'-P energy: -120.134 bonds (distance) P-C4' energy: -165.900 flat angles C4'-P-C4' energy: -129.025 flat angles P-C4'-P energy: -44.825 tors. eta vs tors. theta energy: 25.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3101.515076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.515076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.515076 (E_RNA) where: Base-Base interactions energy: -2110.509 where: short stacking energy: -955.039 Base-Backbone interact. energy: -3.595 local terms energy: -987.411865 where: bonds (distance) C4'-P energy: -177.762 bonds (distance) P-C4' energy: -188.075 flat angles C4'-P-C4' energy: -214.951 flat angles P-C4'-P energy: -140.897 tors. eta vs tors. theta energy: -265.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2926.892805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.892805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.892805 (E_RNA) where: Base-Base interactions energy: -1999.858 where: short stacking energy: -882.139 Base-Backbone interact. energy: -6.844 local terms energy: -920.190758 where: bonds (distance) C4'-P energy: -162.283 bonds (distance) P-C4' energy: -182.903 flat angles C4'-P-C4' energy: -204.370 flat angles P-C4'-P energy: -126.042 tors. eta vs tors. theta energy: -244.593 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: 98 Temperature: 1.000000 Total energy: -2503.448845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.448845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.448845 (E_RNA) where: Base-Base interactions energy: -1651.549 where: short stacking energy: -754.385 Base-Backbone interact. energy: -5.756 local terms energy: -846.144005 where: bonds (distance) C4'-P energy: -167.983 bonds (distance) P-C4' energy: -165.888 flat angles C4'-P-C4' energy: -188.552 flat angles P-C4'-P energy: -128.746 tors. eta vs tors. theta energy: -194.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2500.107403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.107403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.107403 (E_RNA) where: Base-Base interactions energy: -1682.634 where: short stacking energy: -778.482 Base-Backbone interact. energy: -0.902 local terms energy: -816.571065 where: bonds (distance) C4'-P energy: -148.419 bonds (distance) P-C4' energy: -178.277 flat angles C4'-P-C4' energy: -181.294 flat angles P-C4'-P energy: -104.044 tors. eta vs tors. theta energy: -204.537 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: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2352.495952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.495952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.495952 (E_RNA) where: Base-Base interactions energy: -1572.976 where: short stacking energy: -703.753 Base-Backbone interact. energy: -2.237 local terms energy: -777.282976 where: bonds (distance) C4'-P energy: -151.204 bonds (distance) P-C4' energy: -168.337 flat angles C4'-P-C4' energy: -177.355 flat angles P-C4'-P energy: -101.770 tors. eta vs tors. theta energy: -178.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2087.605240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.605240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.605240 (E_RNA) where: Base-Base interactions energy: -1359.885 where: short stacking energy: -678.935 Base-Backbone interact. energy: -3.653 local terms energy: -724.067194 where: bonds (distance) C4'-P energy: -149.010 bonds (distance) P-C4' energy: -142.074 flat angles C4'-P-C4' energy: -167.687 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -169.067 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: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1962.034585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.034585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.034585 (E_RNA) where: Base-Base interactions energy: -1240.787 where: short stacking energy: -575.123 Base-Backbone interact. energy: -3.734 local terms energy: -717.513546 where: bonds (distance) C4'-P energy: -154.614 bonds (distance) P-C4' energy: -173.648 flat angles C4'-P-C4' energy: -168.492 flat angles P-C4'-P energy: -86.691 tors. eta vs tors. theta energy: -134.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1449.578288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.578288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.578288 (E_RNA) where: Base-Base interactions energy: -896.820 where: short stacking energy: -438.740 Base-Backbone interact. energy: 3.036 local terms energy: -555.793953 where: bonds (distance) C4'-P energy: -149.184 bonds (distance) P-C4' energy: -135.480 flat angles C4'-P-C4' energy: -144.611 flat angles P-C4'-P energy: -66.816 tors. eta vs tors. theta energy: -59.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1325.461957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.461957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.461957 (E_RNA) where: Base-Base interactions energy: -799.179 where: short stacking energy: -384.038 Base-Backbone interact. energy: 4.592 local terms energy: -530.874877 where: bonds (distance) C4'-P energy: -159.211 bonds (distance) P-C4' energy: -142.242 flat angles C4'-P-C4' energy: -137.937 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -17.142 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: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -840.189730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.189730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.189730 (E_RNA) where: Base-Base interactions energy: -390.879 where: short stacking energy: -221.649 Base-Backbone interact. energy: 8.533 local terms energy: -457.843721 where: bonds (distance) C4'-P energy: -145.456 bonds (distance) P-C4' energy: -140.973 flat angles C4'-P-C4' energy: -113.870 flat angles P-C4'-P energy: -70.458 tors. eta vs tors. theta energy: 12.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3035.540222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.540222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.540222 (E_RNA) where: Base-Base interactions energy: -2077.923 where: short stacking energy: -928.655 Base-Backbone interact. energy: -3.270 local terms energy: -954.347303 where: bonds (distance) C4'-P energy: -173.777 bonds (distance) P-C4' energy: -177.379 flat angles C4'-P-C4' energy: -208.916 flat angles P-C4'-P energy: -126.218 tors. eta vs tors. theta energy: -268.057 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: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2856.277822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.277822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.277822 (E_RNA) where: Base-Base interactions energy: -1927.091 where: short stacking energy: -856.323 Base-Backbone interact. energy: -5.062 local terms energy: -924.124829 where: bonds (distance) C4'-P energy: -181.186 bonds (distance) P-C4' energy: -177.257 flat angles C4'-P-C4' energy: -197.189 flat angles P-C4'-P energy: -122.892 tors. eta vs tors. theta energy: -245.601 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: 99 Temperature: 1.000000 Total energy: -2513.986049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.986049 (E_RNA) where: Base-Base interactions energy: -1629.763 where: short stacking energy: -737.811 Base-Backbone interact. energy: -10.255 local terms energy: -873.968643 where: bonds (distance) C4'-P energy: -172.773 bonds (distance) P-C4' energy: -189.787 flat angles C4'-P-C4' energy: -184.227 flat angles P-C4'-P energy: -131.073 tors. eta vs tors. theta energy: -196.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2537.259661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.259661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.259661 (E_RNA) where: Base-Base interactions energy: -1678.028 where: short stacking energy: -753.074 Base-Backbone interact. energy: -3.601 local terms energy: -855.631021 where: bonds (distance) C4'-P energy: -177.186 bonds (distance) P-C4' energy: -173.819 flat angles C4'-P-C4' energy: -179.023 flat angles P-C4'-P energy: -128.288 tors. eta vs tors. theta energy: -197.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2460.059954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.059954 (E_RNA) where: Base-Base interactions energy: -1645.956 where: short stacking energy: -731.231 Base-Backbone interact. energy: -3.476 local terms energy: -810.628192 where: bonds (distance) C4'-P energy: -163.813 bonds (distance) P-C4' energy: -168.270 flat angles C4'-P-C4' energy: -177.819 flat angles P-C4'-P energy: -109.250 tors. eta vs tors. theta energy: -191.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2075.714582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.714582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.714582 (E_RNA) where: Base-Base interactions energy: -1311.833 where: short stacking energy: -618.667 Base-Backbone interact. energy: -6.236 local terms energy: -757.645057 where: bonds (distance) C4'-P energy: -160.035 bonds (distance) P-C4' energy: -159.113 flat angles C4'-P-C4' energy: -170.275 flat angles P-C4'-P energy: -118.676 tors. eta vs tors. theta energy: -149.547 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: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1860.396859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.396859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.396859 (E_RNA) where: Base-Base interactions energy: -1187.739 where: short stacking energy: -549.036 Base-Backbone interact. energy: -2.992 local terms energy: -669.666551 where: bonds (distance) C4'-P energy: -148.027 bonds (distance) P-C4' energy: -173.355 flat angles C4'-P-C4' energy: -144.542 flat angles P-C4'-P energy: -88.015 tors. eta vs tors. theta energy: -115.728 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: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1483.258597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.258597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.258597 (E_RNA) where: Base-Base interactions energy: -874.239 where: short stacking energy: -433.230 Base-Backbone interact. energy: -2.405 local terms energy: -606.614732 where: bonds (distance) C4'-P energy: -152.788 bonds (distance) P-C4' energy: -159.397 flat angles C4'-P-C4' energy: -144.006 flat angles P-C4'-P energy: -92.946 tors. eta vs tors. theta energy: -57.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1259.321008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.321008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.321008 (E_RNA) where: Base-Base interactions energy: -716.032 where: short stacking energy: -362.025 Base-Backbone interact. energy: -2.068 local terms energy: -541.221137 where: bonds (distance) C4'-P energy: -145.140 bonds (distance) P-C4' energy: -147.083 flat angles C4'-P-C4' energy: -136.480 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -26.191 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: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -761.122854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.122854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.122854 (E_RNA) where: Base-Base interactions energy: -327.340 where: short stacking energy: -212.263 Base-Backbone interact. energy: 4.127 local terms energy: -437.909840 where: bonds (distance) C4'-P energy: -147.051 bonds (distance) P-C4' energy: -155.076 flat angles C4'-P-C4' energy: -92.025 flat angles P-C4'-P energy: -77.468 tors. eta vs tors. theta energy: 33.709 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: 100 Temperature: 0.900000 Total energy: -3049.924528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.924528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.924528 (E_RNA) where: Base-Base interactions energy: -2102.473 where: short stacking energy: -932.684 Base-Backbone interact. energy: -1.274 local terms energy: -946.177841 where: bonds (distance) C4'-P energy: -185.444 bonds (distance) P-C4' energy: -188.678 flat angles C4'-P-C4' energy: -192.404 flat angles P-C4'-P energy: -123.059 tors. eta vs tors. theta energy: -256.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2914.529540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.529540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.529540 (E_RNA) where: Base-Base interactions energy: -2024.408 where: short stacking energy: -876.667 Base-Backbone interact. energy: -3.291 local terms energy: -886.831025 where: bonds (distance) C4'-P energy: -152.755 bonds (distance) P-C4' energy: -172.852 flat angles C4'-P-C4' energy: -201.672 flat angles P-C4'-P energy: -125.330 tors. eta vs tors. theta energy: -234.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2666.331669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.331669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.331669 (E_RNA) where: Base-Base interactions energy: -1776.053 where: short stacking energy: -791.567 Base-Backbone interact. energy: -0.008 local terms energy: -890.270193 where: bonds (distance) C4'-P energy: -191.316 bonds (distance) P-C4' energy: -175.143 flat angles C4'-P-C4' energy: -190.044 flat angles P-C4'-P energy: -125.098 tors. eta vs tors. theta energy: -208.670 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: 100 Temperature: 1.050000 Total energy: -2444.686111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.686111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.686111 (E_RNA) where: Base-Base interactions energy: -1613.073 where: short stacking energy: -763.287 Base-Backbone interact. energy: 1.992 local terms energy: -833.605035 where: bonds (distance) C4'-P energy: -171.011 bonds (distance) P-C4' energy: -165.976 flat angles C4'-P-C4' energy: -178.362 flat angles P-C4'-P energy: -114.383 tors. eta vs tors. theta energy: -203.872 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: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2448.105206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.105206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.105206 (E_RNA) where: Base-Base interactions energy: -1644.423 where: short stacking energy: -750.406 Base-Backbone interact. energy: -4.263 local terms energy: -799.419657 where: bonds (distance) C4'-P energy: -168.163 bonds (distance) P-C4' energy: -165.850 flat angles C4'-P-C4' energy: -169.492 flat angles P-C4'-P energy: -99.476 tors. eta vs tors. theta energy: -196.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2089.089548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.089548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.089548 (E_RNA) where: Base-Base interactions energy: -1358.957 where: short stacking energy: -617.381 Base-Backbone interact. energy: -1.219 local terms energy: -728.913449 where: bonds (distance) C4'-P energy: -160.171 bonds (distance) P-C4' energy: -164.523 flat angles C4'-P-C4' energy: -165.652 flat angles P-C4'-P energy: -112.424 tors. eta vs tors. theta energy: -126.145 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: 100 Temperature: 1.200000 Total energy: -1862.259815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.259815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.259815 (E_RNA) where: Base-Base interactions energy: -1192.214 where: short stacking energy: -561.930 Base-Backbone interact. energy: 0.270 local terms energy: -670.315422 where: bonds (distance) C4'-P energy: -143.650 bonds (distance) P-C4' energy: -151.362 flat angles C4'-P-C4' energy: -149.994 flat angles P-C4'-P energy: -91.303 tors. eta vs tors. theta energy: -134.007 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: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1516.934151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.934151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.934151 (E_RNA) where: Base-Base interactions energy: -932.035 where: short stacking energy: -452.459 Base-Backbone interact. energy: 0.507 local terms energy: -585.405748 where: bonds (distance) C4'-P energy: -157.724 bonds (distance) P-C4' energy: -151.155 flat angles C4'-P-C4' energy: -142.871 flat angles P-C4'-P energy: -76.301 tors. eta vs tors. theta energy: -57.356 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: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1363.144607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.144607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.144607 (E_RNA) where: Base-Base interactions energy: -811.351 where: short stacking energy: -393.726 Base-Backbone interact. energy: 6.893 local terms energy: -558.687220 where: bonds (distance) C4'-P energy: -137.817 bonds (distance) P-C4' energy: -155.227 flat angles C4'-P-C4' energy: -132.041 flat angles P-C4'-P energy: -89.918 tors. eta vs tors. theta energy: -43.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -827.809559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.809559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.809559 (E_RNA) where: Base-Base interactions energy: -353.057 where: short stacking energy: -279.399 Base-Backbone interact. energy: 6.112 local terms energy: -480.864629 where: bonds (distance) C4'-P energy: -129.896 bonds (distance) P-C4' energy: -162.993 flat angles C4'-P-C4' energy: -117.274 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -3028.575264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.575264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.575264 (E_RNA) where: Base-Base interactions energy: -2037.816 where: short stacking energy: -905.979 Base-Backbone interact. energy: -6.015 local terms energy: -984.744827 where: bonds (distance) C4'-P energy: -188.485 bonds (distance) P-C4' energy: -205.871 flat angles C4'-P-C4' energy: -211.153 flat angles P-C4'-P energy: -119.936 tors. eta vs tors. theta energy: -259.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2904.761141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.761141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.761141 (E_RNA) where: Base-Base interactions energy: -1976.961 where: short stacking energy: -872.786 Base-Backbone interact. energy: -0.028 local terms energy: -927.772361 where: bonds (distance) C4'-P energy: -180.655 bonds (distance) P-C4' energy: -194.579 flat angles C4'-P-C4' energy: -197.194 flat angles P-C4'-P energy: -121.648 tors. eta vs tors. theta energy: -233.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2621.516340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.516340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.516340 (E_RNA) where: Base-Base interactions energy: -1760.865 where: short stacking energy: -821.496 Base-Backbone interact. energy: -1.920 local terms energy: -858.730940 where: bonds (distance) C4'-P energy: -161.911 bonds (distance) P-C4' energy: -188.412 flat angles C4'-P-C4' energy: -198.558 flat angles P-C4'-P energy: -115.006 tors. eta vs tors. theta energy: -194.844 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: 101 Temperature: 1.050000 Total energy: -2577.852593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.852593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.852593 (E_RNA) where: Base-Base interactions energy: -1714.177 where: short stacking energy: -787.937 Base-Backbone interact. energy: -2.291 local terms energy: -861.384446 where: bonds (distance) C4'-P energy: -175.997 bonds (distance) P-C4' energy: -162.127 flat angles C4'-P-C4' energy: -187.875 flat angles P-C4'-P energy: -125.232 tors. eta vs tors. theta energy: -210.154 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: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2331.481548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.481548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.481548 (E_RNA) where: Base-Base interactions energy: -1541.228 where: short stacking energy: -711.679 Base-Backbone interact. energy: -4.595 local terms energy: -785.658108 where: bonds (distance) C4'-P energy: -152.185 bonds (distance) P-C4' energy: -163.159 flat angles C4'-P-C4' energy: -175.565 flat angles P-C4'-P energy: -117.030 tors. eta vs tors. theta energy: -177.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2226.151646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.151646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.151646 (E_RNA) where: Base-Base interactions energy: -1461.897 where: short stacking energy: -655.144 Base-Backbone interact. energy: -1.501 local terms energy: -762.753469 where: bonds (distance) C4'-P energy: -143.752 bonds (distance) P-C4' energy: -159.210 flat angles C4'-P-C4' energy: -178.742 flat angles P-C4'-P energy: -115.582 tors. eta vs tors. theta energy: -165.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1865.537928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.537928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.537928 (E_RNA) where: Base-Base interactions energy: -1157.046 where: short stacking energy: -573.719 Base-Backbone interact. energy: -3.942 local terms energy: -704.549813 where: bonds (distance) C4'-P energy: -160.568 bonds (distance) P-C4' energy: -164.330 flat angles C4'-P-C4' energy: -150.710 flat angles P-C4'-P energy: -96.756 tors. eta vs tors. theta energy: -132.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1638.082384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.082384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.082384 (E_RNA) where: Base-Base interactions energy: -992.767 where: short stacking energy: -462.372 Base-Backbone interact. energy: -0.831 local terms energy: -644.484494 where: bonds (distance) C4'-P energy: -146.546 bonds (distance) P-C4' energy: -161.635 flat angles C4'-P-C4' energy: -151.910 flat angles P-C4'-P energy: -112.584 tors. eta vs tors. theta energy: -71.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1416.468529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.468529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.468529 (E_RNA) where: Base-Base interactions energy: -807.201 where: short stacking energy: -416.180 Base-Backbone interact. energy: 0.551 local terms energy: -609.818456 where: bonds (distance) C4'-P energy: -145.090 bonds (distance) P-C4' energy: -143.095 flat angles C4'-P-C4' energy: -153.774 flat angles P-C4'-P energy: -108.010 tors. eta vs tors. theta energy: -59.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -835.529485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.529485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.529485 (E_RNA) where: Base-Base interactions energy: -353.365 where: short stacking energy: -275.995 Base-Backbone interact. energy: -1.398 local terms energy: -480.766408 where: bonds (distance) C4'-P energy: -147.547 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -119.390 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: 12.326 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: 102 Temperature: 0.900000 Total energy: -3048.004455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.004455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.004455 (E_RNA) where: Base-Base interactions energy: -2054.461 where: short stacking energy: -896.854 Base-Backbone interact. energy: -6.183 local terms energy: -987.361080 where: bonds (distance) C4'-P energy: -184.168 bonds (distance) P-C4' energy: -191.812 flat angles C4'-P-C4' energy: -210.399 flat angles P-C4'-P energy: -146.063 tors. eta vs tors. theta energy: -254.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2900.403561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.403561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.403561 (E_RNA) where: Base-Base interactions energy: -1990.872 where: short stacking energy: -886.155 Base-Backbone interact. energy: 2.612 local terms energy: -912.143237 where: bonds (distance) C4'-P energy: -179.085 bonds (distance) P-C4' energy: -153.676 flat angles C4'-P-C4' energy: -199.823 flat angles P-C4'-P energy: -130.797 tors. eta vs tors. theta energy: -248.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2613.023523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.023523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.023523 (E_RNA) where: Base-Base interactions energy: -1740.451 where: short stacking energy: -800.250 Base-Backbone interact. energy: -5.885 local terms energy: -866.688306 where: bonds (distance) C4'-P energy: -169.886 bonds (distance) P-C4' energy: -186.761 flat angles C4'-P-C4' energy: -198.239 flat angles P-C4'-P energy: -106.444 tors. eta vs tors. theta energy: -205.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2638.522686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.522686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.522686 (E_RNA) where: Base-Base interactions energy: -1793.527 where: short stacking energy: -795.622 Base-Backbone interact. energy: -1.275 local terms energy: -843.720851 where: bonds (distance) C4'-P energy: -165.995 bonds (distance) P-C4' energy: -161.195 flat angles C4'-P-C4' energy: -178.393 flat angles P-C4'-P energy: -116.926 tors. eta vs tors. theta energy: -221.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2396.557720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.557720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.557720 (E_RNA) where: Base-Base interactions energy: -1560.179 where: short stacking energy: -731.652 Base-Backbone interact. energy: -5.852 local terms energy: -830.526522 where: bonds (distance) C4'-P energy: -152.749 bonds (distance) P-C4' energy: -173.592 flat angles C4'-P-C4' energy: -187.643 flat angles P-C4'-P energy: -131.115 tors. eta vs tors. theta energy: -185.428 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: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2183.976167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.976167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.976167 (E_RNA) where: Base-Base interactions energy: -1427.092 where: short stacking energy: -664.211 Base-Backbone interact. energy: -4.620 local terms energy: -752.264671 where: bonds (distance) C4'-P energy: -133.543 bonds (distance) P-C4' energy: -164.924 flat angles C4'-P-C4' energy: -185.411 flat angles P-C4'-P energy: -112.153 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: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1686.727142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.727142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.727142 (E_RNA) where: Base-Base interactions energy: -1056.813 where: short stacking energy: -511.068 Base-Backbone interact. energy: -0.360 local terms energy: -629.554017 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -176.263 flat angles C4'-P-C4' energy: -127.612 flat angles P-C4'-P energy: -99.840 tors. eta vs tors. theta energy: -93.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1519.535277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.535277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.535277 (E_RNA) where: Base-Base interactions energy: -927.093 where: short stacking energy: -443.492 Base-Backbone interact. energy: 7.309 local terms energy: -599.751442 where: bonds (distance) C4'-P energy: -144.824 bonds (distance) P-C4' energy: -164.397 flat angles C4'-P-C4' energy: -162.343 flat angles P-C4'-P energy: -80.528 tors. eta vs tors. theta energy: -47.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1299.039211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.039211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.039211 (E_RNA) where: Base-Base interactions energy: -753.652 where: short stacking energy: -374.122 Base-Backbone interact. energy: 2.329 local terms energy: -547.716203 where: bonds (distance) C4'-P energy: -159.433 bonds (distance) P-C4' energy: -141.644 flat angles C4'-P-C4' energy: -140.356 flat angles P-C4'-P energy: -87.063 tors. eta vs tors. theta energy: -19.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -822.111849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.111849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.111849 (E_RNA) where: Base-Base interactions energy: -376.503 where: short stacking energy: -257.057 Base-Backbone interact. energy: 3.519 local terms energy: -449.127818 where: bonds (distance) C4'-P energy: -145.677 bonds (distance) P-C4' energy: -135.002 flat angles C4'-P-C4' energy: -120.492 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: 30.787 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: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3081.754063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.754063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.754063 (E_RNA) where: Base-Base interactions energy: -2096.240 where: short stacking energy: -902.579 Base-Backbone interact. energy: -2.181 local terms energy: -983.332796 where: bonds (distance) C4'-P energy: -184.636 bonds (distance) P-C4' energy: -197.811 flat angles C4'-P-C4' energy: -211.833 flat angles P-C4'-P energy: -136.623 tors. eta vs tors. theta energy: -252.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2905.675178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.675178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.675178 (E_RNA) where: Base-Base interactions energy: -1956.442 where: short stacking energy: -891.006 Base-Backbone interact. energy: -1.723 local terms energy: -947.509397 where: bonds (distance) C4'-P energy: -166.267 bonds (distance) P-C4' energy: -182.859 flat angles C4'-P-C4' energy: -208.527 flat angles P-C4'-P energy: -141.641 tors. eta vs tors. theta energy: -248.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2692.008771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.008771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.008771 (E_RNA) where: Base-Base interactions energy: -1813.439 where: short stacking energy: -857.886 Base-Backbone interact. energy: 7.277 local terms energy: -885.846691 where: bonds (distance) C4'-P energy: -157.473 bonds (distance) P-C4' energy: -167.061 flat angles C4'-P-C4' energy: -200.798 flat angles P-C4'-P energy: -126.613 tors. eta vs tors. theta energy: -233.903 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: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2663.449132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.449132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.449132 (E_RNA) where: Base-Base interactions energy: -1828.858 where: short stacking energy: -802.130 Base-Backbone interact. energy: -3.575 local terms energy: -831.016439 where: bonds (distance) C4'-P energy: -157.366 bonds (distance) P-C4' energy: -159.670 flat angles C4'-P-C4' energy: -193.656 flat angles P-C4'-P energy: -113.175 tors. eta vs tors. theta energy: -207.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2358.282915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.282915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.282915 (E_RNA) where: Base-Base interactions energy: -1563.972 where: short stacking energy: -745.149 Base-Backbone interact. energy: 2.786 local terms energy: -797.096715 where: bonds (distance) C4'-P energy: -154.793 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -187.535 flat angles P-C4'-P energy: -109.498 tors. eta vs tors. theta energy: -185.645 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: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2168.897992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.897992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.897992 (E_RNA) where: Base-Base interactions energy: -1389.892 where: short stacking energy: -595.894 Base-Backbone interact. energy: -9.930 local terms energy: -769.076113 where: bonds (distance) C4'-P energy: -148.739 bonds (distance) P-C4' energy: -181.842 flat angles C4'-P-C4' energy: -179.581 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -145.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1696.558397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.558397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.558397 (E_RNA) where: Base-Base interactions energy: -1041.456 where: short stacking energy: -519.730 Base-Backbone interact. energy: -0.858 local terms energy: -654.243704 where: bonds (distance) C4'-P energy: -156.703 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -174.287 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -88.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1548.885393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.885393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.885393 (E_RNA) where: Base-Base interactions energy: -965.509 where: short stacking energy: -479.786 Base-Backbone interact. energy: 7.701 local terms energy: -591.077098 where: bonds (distance) C4'-P energy: -143.520 bonds (distance) P-C4' energy: -177.257 flat angles C4'-P-C4' energy: -139.420 flat angles P-C4'-P energy: -85.519 tors. eta vs tors. theta energy: -45.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1331.140260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.140260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.140260 (E_RNA) where: Base-Base interactions energy: -785.037 where: short stacking energy: -367.040 Base-Backbone interact. energy: -3.095 local terms energy: -543.008620 where: bonds (distance) C4'-P energy: -140.354 bonds (distance) P-C4' energy: -162.247 flat angles C4'-P-C4' energy: -136.180 flat angles P-C4'-P energy: -88.587 tors. eta vs tors. theta energy: -15.640 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: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -804.614718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.614718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.614718 (E_RNA) where: Base-Base interactions energy: -352.729 where: short stacking energy: -243.867 Base-Backbone interact. energy: 2.632 local terms energy: -454.518149 where: bonds (distance) C4'-P energy: -126.051 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -124.212 flat angles P-C4'-P energy: -87.003 tors. eta vs tors. theta energy: 23.224 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: 104 Temperature: 0.900000 Total energy: -3092.757559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.757559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.757559 (E_RNA) where: Base-Base interactions energy: -2109.360 where: short stacking energy: -935.948 Base-Backbone interact. energy: -1.224 local terms energy: -982.173300 where: bonds (distance) C4'-P energy: -183.697 bonds (distance) P-C4' energy: -188.161 flat angles C4'-P-C4' energy: -203.439 flat angles P-C4'-P energy: -132.615 tors. eta vs tors. theta energy: -274.261 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: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2903.349013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.349013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.349013 (E_RNA) where: Base-Base interactions energy: -1976.896 where: short stacking energy: -884.809 Base-Backbone interact. energy: -6.754 local terms energy: -919.698722 where: bonds (distance) C4'-P energy: -161.407 bonds (distance) P-C4' energy: -183.882 flat angles C4'-P-C4' energy: -204.815 flat angles P-C4'-P energy: -127.484 tors. eta vs tors. theta energy: -242.111 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: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2679.347217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.347217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.347217 (E_RNA) where: Base-Base interactions energy: -1803.627 where: short stacking energy: -823.505 Base-Backbone interact. energy: -3.705 local terms energy: -872.014356 where: bonds (distance) C4'-P energy: -160.847 bonds (distance) P-C4' energy: -180.616 flat angles C4'-P-C4' energy: -195.147 flat angles P-C4'-P energy: -122.009 tors. eta vs tors. theta energy: -213.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2635.968929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.968929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.968929 (E_RNA) where: Base-Base interactions energy: -1819.022 where: short stacking energy: -821.260 Base-Backbone interact. energy: -4.170 local terms energy: -812.777082 where: bonds (distance) C4'-P energy: -155.575 bonds (distance) P-C4' energy: -151.206 flat angles C4'-P-C4' energy: -194.088 flat angles P-C4'-P energy: -102.846 tors. eta vs tors. theta energy: -209.061 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: 5, replica: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2414.137680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.137680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.137680 (E_RNA) where: Base-Base interactions energy: -1607.224 where: short stacking energy: -700.552 Base-Backbone interact. energy: -5.791 local terms energy: -801.122305 where: bonds (distance) C4'-P energy: -166.499 bonds (distance) P-C4' energy: -166.430 flat angles C4'-P-C4' energy: -188.247 flat angles P-C4'-P energy: -116.646 tors. eta vs tors. theta energy: -163.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2152.266481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.266481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.266481 (E_RNA) where: Base-Base interactions energy: -1350.177 where: short stacking energy: -584.560 Base-Backbone interact. energy: -5.896 local terms energy: -796.193052 where: bonds (distance) C4'-P energy: -181.803 bonds (distance) P-C4' energy: -171.896 flat angles C4'-P-C4' energy: -174.140 flat angles P-C4'-P energy: -122.319 tors. eta vs tors. theta energy: -146.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1845.510557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.510557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.510557 (E_RNA) where: Base-Base interactions energy: -1127.295 where: short stacking energy: -573.937 Base-Backbone interact. energy: 2.458 local terms energy: -720.673048 where: bonds (distance) C4'-P energy: -163.211 bonds (distance) P-C4' energy: -154.206 flat angles C4'-P-C4' energy: -178.605 flat angles P-C4'-P energy: -111.937 tors. eta vs tors. theta energy: -112.714 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: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1508.778889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.778889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.778889 (E_RNA) where: Base-Base interactions energy: -887.795 where: short stacking energy: -435.777 Base-Backbone interact. energy: 2.376 local terms energy: -623.359943 where: bonds (distance) C4'-P energy: -154.712 bonds (distance) P-C4' energy: -169.501 flat angles C4'-P-C4' energy: -151.473 flat angles P-C4'-P energy: -94.137 tors. eta vs tors. theta energy: -53.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1279.829701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.829701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.829701 (E_RNA) where: Base-Base interactions energy: -776.573 where: short stacking energy: -395.358 Base-Backbone interact. energy: 5.230 local terms energy: -508.486470 where: bonds (distance) C4'-P energy: -129.041 bonds (distance) P-C4' energy: -134.857 flat angles C4'-P-C4' energy: -128.074 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -35.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -885.667468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.667468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.667468 (E_RNA) where: Base-Base interactions energy: -389.872 where: short stacking energy: -257.230 Base-Backbone interact. energy: 5.852 local terms energy: -501.646695 where: bonds (distance) C4'-P energy: -156.098 bonds (distance) P-C4' energy: -148.835 flat angles C4'-P-C4' energy: -138.780 flat angles P-C4'-P energy: -79.591 tors. eta vs tors. theta energy: 21.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3084.442738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.442738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.442738 (E_RNA) where: Base-Base interactions energy: -2085.758 where: short stacking energy: -938.746 Base-Backbone interact. energy: -3.973 local terms energy: -994.712108 where: bonds (distance) C4'-P energy: -182.322 bonds (distance) P-C4' energy: -186.666 flat angles C4'-P-C4' energy: -204.969 flat angles P-C4'-P energy: -146.127 tors. eta vs tors. theta energy: -274.628 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: 105 Temperature: 0.950000 Total energy: -2934.562988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.562988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.562988 (E_RNA) where: Base-Base interactions energy: -2015.305 where: short stacking energy: -904.516 Base-Backbone interact. energy: -0.727 local terms energy: -918.530255 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -184.895 flat angles C4'-P-C4' energy: -211.748 flat angles P-C4'-P energy: -121.366 tors. eta vs tors. theta energy: -243.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2651.781337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.781337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.781337 (E_RNA) where: Base-Base interactions energy: -1785.614 where: short stacking energy: -824.614 Base-Backbone interact. energy: -3.208 local terms energy: -862.958526 where: bonds (distance) C4'-P energy: -164.570 bonds (distance) P-C4' energy: -170.483 flat angles C4'-P-C4' energy: -199.763 flat angles P-C4'-P energy: -104.850 tors. eta vs tors. theta energy: -223.292 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: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2645.559961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.559961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.559961 (E_RNA) where: Base-Base interactions energy: -1781.485 where: short stacking energy: -790.230 Base-Backbone interact. energy: -2.088 local terms energy: -861.987580 where: bonds (distance) C4'-P energy: -141.766 bonds (distance) P-C4' energy: -178.884 flat angles C4'-P-C4' energy: -201.647 flat angles P-C4'-P energy: -139.298 tors. eta vs tors. theta energy: -200.393 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: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2430.636450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.636450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.636450 (E_RNA) where: Base-Base interactions energy: -1668.216 where: short stacking energy: -734.194 Base-Backbone interact. energy: -6.595 local terms energy: -755.824765 where: bonds (distance) C4'-P energy: -149.035 bonds (distance) P-C4' energy: -157.407 flat angles C4'-P-C4' energy: -167.147 flat angles P-C4'-P energy: -115.043 tors. eta vs tors. theta energy: -167.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2036.926239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.926239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.926239 (E_RNA) where: Base-Base interactions energy: -1301.564 where: short stacking energy: -593.527 Base-Backbone interact. energy: -3.037 local terms energy: -732.325260 where: bonds (distance) C4'-P energy: -152.709 bonds (distance) P-C4' energy: -178.080 flat angles C4'-P-C4' energy: -160.947 flat angles P-C4'-P energy: -109.458 tors. eta vs tors. theta energy: -131.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1775.381309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.381309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.381309 (E_RNA) where: Base-Base interactions energy: -1108.493 where: short stacking energy: -546.097 Base-Backbone interact. energy: -2.623 local terms energy: -664.265089 where: bonds (distance) C4'-P energy: -139.275 bonds (distance) P-C4' energy: -146.357 flat angles C4'-P-C4' energy: -166.615 flat angles P-C4'-P energy: -90.943 tors. eta vs tors. theta energy: -121.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1449.830407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.830407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.830407 (E_RNA) where: Base-Base interactions energy: -909.585 where: short stacking energy: -405.824 Base-Backbone interact. energy: 2.960 local terms energy: -543.206249 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -150.072 flat angles C4'-P-C4' energy: -143.293 flat angles P-C4'-P energy: -72.585 tors. eta vs tors. theta energy: -47.799 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: 9, replica: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1275.352703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.352703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.352703 (E_RNA) where: Base-Base interactions energy: -733.330 where: short stacking energy: -357.311 Base-Backbone interact. energy: 5.359 local terms energy: -547.381933 where: bonds (distance) C4'-P energy: -147.462 bonds (distance) P-C4' energy: -161.940 flat angles C4'-P-C4' energy: -134.339 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: -30.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -776.488634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.488634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.488634 (E_RNA) where: Base-Base interactions energy: -289.072 where: short stacking energy: -202.838 Base-Backbone interact. energy: 1.713 local terms energy: -489.128971 where: bonds (distance) C4'-P energy: -133.668 bonds (distance) P-C4' energy: -158.049 flat angles C4'-P-C4' energy: -148.894 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: 24.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3049.237510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.237510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.237510 (E_RNA) where: Base-Base interactions energy: -2072.790 where: short stacking energy: -932.577 Base-Backbone interact. energy: -6.227 local terms energy: -970.220684 where: bonds (distance) C4'-P energy: -181.613 bonds (distance) P-C4' energy: -176.642 flat angles C4'-P-C4' energy: -205.288 flat angles P-C4'-P energy: -144.652 tors. eta vs tors. theta energy: -262.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2949.629703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.629703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.629703 (E_RNA) where: Base-Base interactions energy: -2009.523 where: short stacking energy: -890.307 Base-Backbone interact. energy: -7.184 local terms energy: -932.922786 where: bonds (distance) C4'-P energy: -155.303 bonds (distance) P-C4' energy: -176.618 flat angles C4'-P-C4' energy: -213.015 flat angles P-C4'-P energy: -139.055 tors. eta vs tors. theta energy: -248.932 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: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2738.824916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.824916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.824916 (E_RNA) where: Base-Base interactions energy: -1850.367 where: short stacking energy: -845.140 Base-Backbone interact. energy: -1.142 local terms energy: -887.316483 where: bonds (distance) C4'-P energy: -145.922 bonds (distance) P-C4' energy: -163.112 flat angles C4'-P-C4' energy: -195.034 flat angles P-C4'-P energy: -138.801 tors. eta vs tors. theta energy: -244.448 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2549.592561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.592561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.592561 (E_RNA) where: Base-Base interactions energy: -1707.698 where: short stacking energy: -758.585 Base-Backbone interact. energy: -2.658 local terms energy: -839.237315 where: bonds (distance) C4'-P energy: -160.128 bonds (distance) P-C4' energy: -155.608 flat angles C4'-P-C4' energy: -201.755 flat angles P-C4'-P energy: -116.899 tors. eta vs tors. theta energy: -204.847 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: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2488.158053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.158053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.158053 (E_RNA) where: Base-Base interactions energy: -1708.150 where: short stacking energy: -758.795 Base-Backbone interact. energy: -3.755 local terms energy: -776.252912 where: bonds (distance) C4'-P energy: -143.940 bonds (distance) P-C4' energy: -163.386 flat angles C4'-P-C4' energy: -166.366 flat angles P-C4'-P energy: -117.344 tors. eta vs tors. theta energy: -185.217 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: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2003.913097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.913097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.913097 (E_RNA) where: Base-Base interactions energy: -1302.820 where: short stacking energy: -612.769 Base-Backbone interact. energy: -6.404 local terms energy: -694.688849 where: bonds (distance) C4'-P energy: -158.002 bonds (distance) P-C4' energy: -168.531 flat angles C4'-P-C4' energy: -147.920 flat angles P-C4'-P energy: -97.177 tors. eta vs tors. theta energy: -123.059 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: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1759.452602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.452602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.452602 (E_RNA) where: Base-Base interactions energy: -1104.843 where: short stacking energy: -549.702 Base-Backbone interact. energy: 2.523 local terms energy: -657.133002 where: bonds (distance) C4'-P energy: -153.654 bonds (distance) P-C4' energy: -142.187 flat angles C4'-P-C4' energy: -148.728 flat angles P-C4'-P energy: -106.121 tors. eta vs tors. theta energy: -106.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1490.400574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.400574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.400574 (E_RNA) where: Base-Base interactions energy: -897.814 where: short stacking energy: -437.999 Base-Backbone interact. energy: -2.095 local terms energy: -590.491996 where: bonds (distance) C4'-P energy: -133.707 bonds (distance) P-C4' energy: -158.014 flat angles C4'-P-C4' energy: -146.860 flat angles P-C4'-P energy: -105.293 tors. eta vs tors. theta energy: -46.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1354.524660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.524660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.524660 (E_RNA) where: Base-Base interactions energy: -780.331 where: short stacking energy: -375.222 Base-Backbone interact. energy: -0.480 local terms energy: -573.713881 where: bonds (distance) C4'-P energy: -129.339 bonds (distance) P-C4' energy: -165.837 flat angles C4'-P-C4' energy: -144.038 flat angles P-C4'-P energy: -91.531 tors. eta vs tors. theta energy: -42.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -786.571641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.571641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.571641 (E_RNA) where: Base-Base interactions energy: -314.163 where: short stacking energy: -232.565 Base-Backbone interact. energy: 4.693 local terms energy: -477.101451 where: bonds (distance) C4'-P energy: -147.651 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -130.292 flat angles P-C4'-P energy: -85.112 tors. eta vs tors. theta energy: 28.935 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: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3076.129359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.129359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.129359 (E_RNA) where: Base-Base interactions energy: -2070.147 where: short stacking energy: -952.721 Base-Backbone interact. energy: -7.126 local terms energy: -998.856830 where: bonds (distance) C4'-P energy: -179.807 bonds (distance) P-C4' energy: -196.958 flat angles C4'-P-C4' energy: -207.846 flat angles P-C4'-P energy: -146.653 tors. eta vs tors. theta energy: -267.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2943.910516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.910516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.910516 (E_RNA) where: Base-Base interactions energy: -2016.136 where: short stacking energy: -902.072 Base-Backbone interact. energy: -7.505 local terms energy: -920.269634 where: bonds (distance) C4'-P energy: -176.826 bonds (distance) P-C4' energy: -156.354 flat angles C4'-P-C4' energy: -199.985 flat angles P-C4'-P energy: -134.061 tors. eta vs tors. theta energy: -253.044 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: 3, replica: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2783.473030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.473030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.473030 (E_RNA) where: Base-Base interactions energy: -1887.116 where: short stacking energy: -865.810 Base-Backbone interact. energy: 2.739 local terms energy: -899.095589 where: bonds (distance) C4'-P energy: -170.166 bonds (distance) P-C4' energy: -164.654 flat angles C4'-P-C4' energy: -185.172 flat angles P-C4'-P energy: -141.085 tors. eta vs tors. theta energy: -238.018 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: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2508.230385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.230385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.230385 (E_RNA) where: Base-Base interactions energy: -1665.540 where: short stacking energy: -754.549 Base-Backbone interact. energy: -1.935 local terms energy: -840.755430 where: bonds (distance) C4'-P energy: -150.674 bonds (distance) P-C4' energy: -178.460 flat angles C4'-P-C4' energy: -194.187 flat angles P-C4'-P energy: -123.564 tors. eta vs tors. theta energy: -193.872 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: 5, replica: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2414.236802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.236802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.236802 (E_RNA) where: Base-Base interactions energy: -1630.018 where: short stacking energy: -745.036 Base-Backbone interact. energy: 1.477 local terms energy: -785.696403 where: bonds (distance) C4'-P energy: -150.623 bonds (distance) P-C4' energy: -174.608 flat angles C4'-P-C4' energy: -180.339 flat angles P-C4'-P energy: -110.194 tors. eta vs tors. theta energy: -169.934 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: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1977.216193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.216193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.216193 (E_RNA) where: Base-Base interactions energy: -1275.416 where: short stacking energy: -565.998 Base-Backbone interact. energy: -4.675 local terms energy: -697.125638 where: bonds (distance) C4'-P energy: -159.890 bonds (distance) P-C4' energy: -157.995 flat angles C4'-P-C4' energy: -166.921 flat angles P-C4'-P energy: -93.728 tors. eta vs tors. theta energy: -118.592 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: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1765.910642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.910642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.910642 (E_RNA) where: Base-Base interactions energy: -1073.710 where: short stacking energy: -540.548 Base-Backbone interact. energy: -0.180 local terms energy: -692.020307 where: bonds (distance) C4'-P energy: -148.518 bonds (distance) P-C4' energy: -143.675 flat angles C4'-P-C4' energy: -158.257 flat angles P-C4'-P energy: -109.274 tors. eta vs tors. theta energy: -132.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1462.863435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.863435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.863435 (E_RNA) where: Base-Base interactions energy: -868.701 where: short stacking energy: -438.138 Base-Backbone interact. energy: 1.771 local terms energy: -595.932917 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -143.795 flat angles C4'-P-C4' energy: -155.597 flat angles P-C4'-P energy: -86.856 tors. eta vs tors. theta energy: -67.547 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: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1408.155299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.155299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.155299 (E_RNA) where: Base-Base interactions energy: -821.156 where: short stacking energy: -412.341 Base-Backbone interact. energy: 1.711 local terms energy: -588.710078 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -170.967 flat angles C4'-P-C4' energy: -142.240 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -52.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -836.891682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.891682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.891682 (E_RNA) where: Base-Base interactions energy: -389.735 where: short stacking energy: -235.725 Base-Backbone interact. energy: 4.088 local terms energy: -451.244542 where: bonds (distance) C4'-P energy: -137.103 bonds (distance) P-C4' energy: -145.658 flat angles C4'-P-C4' energy: -121.246 flat angles P-C4'-P energy: -79.835 tors. eta vs tors. theta energy: 32.598 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: 108 Temperature: 0.900000 Total energy: -3066.963024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.963024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.963024 (E_RNA) where: Base-Base interactions energy: -2083.964 where: short stacking energy: -909.831 Base-Backbone interact. energy: -3.477 local terms energy: -979.522135 where: bonds (distance) C4'-P energy: -180.317 bonds (distance) P-C4' energy: -189.605 flat angles C4'-P-C4' energy: -213.526 flat angles P-C4'-P energy: -129.008 tors. eta vs tors. theta energy: -267.066 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: 108 Temperature: 0.950000 Total energy: -2906.246901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.246901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.246901 (E_RNA) where: Base-Base interactions energy: -1977.161 where: short stacking energy: -877.409 Base-Backbone interact. energy: -3.049 local terms energy: -926.036789 where: bonds (distance) C4'-P energy: -167.357 bonds (distance) P-C4' energy: -177.857 flat angles C4'-P-C4' energy: -204.985 flat angles P-C4'-P energy: -127.486 tors. eta vs tors. theta energy: -248.353 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: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2790.220620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.220620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.220620 (E_RNA) where: Base-Base interactions energy: -1854.771 where: short stacking energy: -808.784 Base-Backbone interact. energy: -3.935 local terms energy: -931.514538 where: bonds (distance) C4'-P energy: -173.575 bonds (distance) P-C4' energy: -189.495 flat angles C4'-P-C4' energy: -202.102 flat angles P-C4'-P energy: -135.100 tors. eta vs tors. theta energy: -231.242 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: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2556.537332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.537332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.537332 (E_RNA) where: Base-Base interactions energy: -1718.571 where: short stacking energy: -749.044 Base-Backbone interact. energy: -6.035 local terms energy: -831.931563 where: bonds (distance) C4'-P energy: -154.324 bonds (distance) P-C4' energy: -174.856 flat angles C4'-P-C4' energy: -186.771 flat angles P-C4'-P energy: -117.771 tors. eta vs tors. theta energy: -198.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2436.583922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.583922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.583922 (E_RNA) where: Base-Base interactions energy: -1659.176 where: short stacking energy: -736.160 Base-Backbone interact. energy: -3.311 local terms energy: -774.097006 where: bonds (distance) C4'-P energy: -144.373 bonds (distance) P-C4' energy: -161.558 flat angles C4'-P-C4' energy: -175.371 flat angles P-C4'-P energy: -109.107 tors. eta vs tors. theta energy: -183.687 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: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1997.805510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.805510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.805510 (E_RNA) where: Base-Base interactions energy: -1298.654 where: short stacking energy: -556.773 Base-Backbone interact. energy: -4.029 local terms energy: -695.122153 where: bonds (distance) C4'-P energy: -161.749 bonds (distance) P-C4' energy: -160.412 flat angles C4'-P-C4' energy: -153.830 flat angles P-C4'-P energy: -90.726 tors. eta vs tors. theta energy: -128.405 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: 108 Temperature: 1.200000 Total energy: -1825.269153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.269153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.269153 (E_RNA) where: Base-Base interactions energy: -1117.232 where: short stacking energy: -541.899 Base-Backbone interact. energy: -3.178 local terms energy: -704.859137 where: bonds (distance) C4'-P energy: -145.170 bonds (distance) P-C4' energy: -156.868 flat angles C4'-P-C4' energy: -168.805 flat angles P-C4'-P energy: -109.577 tors. eta vs tors. theta energy: -124.439 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: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1501.537835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.537835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.537835 (E_RNA) where: Base-Base interactions energy: -912.117 where: short stacking energy: -475.733 Base-Backbone interact. energy: 7.683 local terms energy: -597.103885 where: bonds (distance) C4'-P energy: -136.958 bonds (distance) P-C4' energy: -141.920 flat angles C4'-P-C4' energy: -154.596 flat angles P-C4'-P energy: -95.184 tors. eta vs tors. theta energy: -68.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1470.227759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.227759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.227759 (E_RNA) where: Base-Base interactions energy: -893.539 where: short stacking energy: -417.045 Base-Backbone interact. energy: -0.068 local terms energy: -576.620249 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -165.380 flat angles C4'-P-C4' energy: -129.661 flat angles P-C4'-P energy: -93.127 tors. eta vs tors. theta energy: -47.367 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: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -856.241580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.241580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.241580 (E_RNA) where: Base-Base interactions energy: -403.699 where: short stacking energy: -278.429 Base-Backbone interact. energy: 8.127 local terms energy: -460.669694 where: bonds (distance) C4'-P energy: -118.182 bonds (distance) P-C4' energy: -150.560 flat angles C4'-P-C4' energy: -128.995 flat angles P-C4'-P energy: -73.664 tors. eta vs tors. theta energy: 10.733 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: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3071.080126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.080126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.080126 (E_RNA) where: Base-Base interactions energy: -2089.996 where: short stacking energy: -943.332 Base-Backbone interact. energy: -1.338 local terms energy: -979.745721 where: bonds (distance) C4'-P energy: -173.622 bonds (distance) P-C4' energy: -187.170 flat angles C4'-P-C4' energy: -200.041 flat angles P-C4'-P energy: -143.611 tors. eta vs tors. theta energy: -275.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2942.755252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.755252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.755252 (E_RNA) where: Base-Base interactions energy: -1991.667 where: short stacking energy: -877.933 Base-Backbone interact. energy: -4.432 local terms energy: -946.655369 where: bonds (distance) C4'-P energy: -178.650 bonds (distance) P-C4' energy: -178.370 flat angles C4'-P-C4' energy: -200.233 flat angles P-C4'-P energy: -139.541 tors. eta vs tors. theta energy: -249.861 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: 109 Temperature: 1.000000 Total energy: -2808.683926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.683926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.683926 (E_RNA) where: Base-Base interactions energy: -1932.632 where: short stacking energy: -869.706 Base-Backbone interact. energy: -5.899 local terms energy: -870.152914 where: bonds (distance) C4'-P energy: -159.964 bonds (distance) P-C4' energy: -178.900 flat angles C4'-P-C4' energy: -183.965 flat angles P-C4'-P energy: -125.148 tors. eta vs tors. theta energy: -222.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2531.956962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.956962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.956962 (E_RNA) where: Base-Base interactions energy: -1698.096 where: short stacking energy: -763.650 Base-Backbone interact. energy: -1.159 local terms energy: -832.702221 where: bonds (distance) C4'-P energy: -153.274 bonds (distance) P-C4' energy: -182.289 flat angles C4'-P-C4' energy: -183.794 flat angles P-C4'-P energy: -118.661 tors. eta vs tors. theta energy: -194.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2437.618962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.618962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.618962 (E_RNA) where: Base-Base interactions energy: -1624.293 where: short stacking energy: -723.080 Base-Backbone interact. energy: -4.570 local terms energy: -808.756043 where: bonds (distance) C4'-P energy: -149.685 bonds (distance) P-C4' energy: -175.609 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -120.791 tors. eta vs tors. theta energy: -190.466 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: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1946.715374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.715374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.715374 (E_RNA) where: Base-Base interactions energy: -1235.016 where: short stacking energy: -587.648 Base-Backbone interact. energy: -2.801 local terms energy: -708.898441 where: bonds (distance) C4'-P energy: -149.463 bonds (distance) P-C4' energy: -139.598 flat angles C4'-P-C4' energy: -190.249 flat angles P-C4'-P energy: -107.526 tors. eta vs tors. theta energy: -122.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1759.336859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.336859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.336859 (E_RNA) where: Base-Base interactions energy: -1080.923 where: short stacking energy: -545.109 Base-Backbone interact. energy: 1.355 local terms energy: -679.768450 where: bonds (distance) C4'-P energy: -149.524 bonds (distance) P-C4' energy: -151.557 flat angles C4'-P-C4' energy: -156.028 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -122.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1485.892176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.892176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.892176 (E_RNA) where: Base-Base interactions energy: -864.809 where: short stacking energy: -464.238 Base-Backbone interact. energy: -0.846 local terms energy: -620.237664 where: bonds (distance) C4'-P energy: -133.213 bonds (distance) P-C4' energy: -161.300 flat angles C4'-P-C4' energy: -140.915 flat angles P-C4'-P energy: -108.696 tors. eta vs tors. theta energy: -76.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1522.327424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.327424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.327424 (E_RNA) where: Base-Base interactions energy: -902.674 where: short stacking energy: -451.165 Base-Backbone interact. energy: 0.969 local terms energy: -620.622407 where: bonds (distance) C4'-P energy: -147.134 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -128.445 flat angles P-C4'-P energy: -98.468 tors. eta vs tors. theta energy: -91.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -873.415103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.415103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.415103 (E_RNA) where: Base-Base interactions energy: -406.915 where: short stacking energy: -236.145 Base-Backbone interact. energy: 2.397 local terms energy: -468.896604 where: bonds (distance) C4'-P energy: -137.127 bonds (distance) P-C4' energy: -154.589 flat angles C4'-P-C4' energy: -123.994 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: 6.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3067.263992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.263992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.263992 (E_RNA) where: Base-Base interactions energy: -2095.009 where: short stacking energy: -950.222 Base-Backbone interact. energy: -2.528 local terms energy: -969.727586 where: bonds (distance) C4'-P energy: -173.724 bonds (distance) P-C4' energy: -176.544 flat angles C4'-P-C4' energy: -212.268 flat angles P-C4'-P energy: -134.272 tors. eta vs tors. theta energy: -272.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -3010.741942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.741942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.741942 (E_RNA) where: Base-Base interactions energy: -2041.878 where: short stacking energy: -888.130 Base-Backbone interact. energy: -5.254 local terms energy: -963.610164 where: bonds (distance) C4'-P energy: -182.277 bonds (distance) P-C4' energy: -176.910 flat angles C4'-P-C4' energy: -205.958 flat angles P-C4'-P energy: -148.137 tors. eta vs tors. theta energy: -250.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2848.806317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.806317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.806317 (E_RNA) where: Base-Base interactions energy: -1924.522 where: short stacking energy: -844.224 Base-Backbone interact. energy: -5.405 local terms energy: -918.878999 where: bonds (distance) C4'-P energy: -177.209 bonds (distance) P-C4' energy: -172.232 flat angles C4'-P-C4' energy: -198.045 flat angles P-C4'-P energy: -130.746 tors. eta vs tors. theta energy: -240.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2520.307016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.307016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.307016 (E_RNA) where: Base-Base interactions energy: -1700.939 where: short stacking energy: -769.108 Base-Backbone interact. energy: 2.257 local terms energy: -821.625676 where: bonds (distance) C4'-P energy: -165.395 bonds (distance) P-C4' energy: -164.554 flat angles C4'-P-C4' energy: -186.398 flat angles P-C4'-P energy: -112.202 tors. eta vs tors. theta energy: -193.076 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: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2441.910776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.910776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.910776 (E_RNA) where: Base-Base interactions energy: -1657.347 where: short stacking energy: -690.081 Base-Backbone interact. energy: -4.221 local terms energy: -780.343438 where: bonds (distance) C4'-P energy: -158.102 bonds (distance) P-C4' energy: -171.427 flat angles C4'-P-C4' energy: -165.109 flat angles P-C4'-P energy: -107.491 tors. eta vs tors. theta energy: -178.215 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: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1956.396825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.396825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.396825 (E_RNA) where: Base-Base interactions energy: -1281.205 where: short stacking energy: -574.626 Base-Backbone interact. energy: 2.578 local terms energy: -677.769737 where: bonds (distance) C4'-P energy: -157.678 bonds (distance) P-C4' energy: -143.303 flat angles C4'-P-C4' energy: -170.460 flat angles P-C4'-P energy: -99.732 tors. eta vs tors. theta energy: -106.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1879.163226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.163226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.163226 (E_RNA) where: Base-Base interactions energy: -1180.200 where: short stacking energy: -597.538 Base-Backbone interact. energy: 0.448 local terms energy: -699.410441 where: bonds (distance) C4'-P energy: -151.755 bonds (distance) P-C4' energy: -170.815 flat angles C4'-P-C4' energy: -143.391 flat angles P-C4'-P energy: -89.559 tors. eta vs tors. theta energy: -143.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1526.046534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.046534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.046534 (E_RNA) where: Base-Base interactions energy: -927.767 where: short stacking energy: -459.175 Base-Backbone interact. energy: 0.241 local terms energy: -598.520681 where: bonds (distance) C4'-P energy: -113.661 bonds (distance) P-C4' energy: -156.981 flat angles C4'-P-C4' energy: -147.844 flat angles P-C4'-P energy: -98.136 tors. eta vs tors. theta energy: -81.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1508.402701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.402701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.402701 (E_RNA) where: Base-Base interactions energy: -962.348 where: short stacking energy: -472.952 Base-Backbone interact. energy: 0.473 local terms energy: -546.527773 where: bonds (distance) C4'-P energy: -138.248 bonds (distance) P-C4' energy: -143.285 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -74.781 tors. eta vs tors. theta energy: -61.524 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: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -877.201640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.201640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.201640 (E_RNA) where: Base-Base interactions energy: -419.734 where: short stacking energy: -256.281 Base-Backbone interact. energy: 4.898 local terms energy: -462.365551 where: bonds (distance) C4'-P energy: -131.404 bonds (distance) P-C4' energy: -159.484 flat angles C4'-P-C4' energy: -93.213 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: 3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3060.454419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.454419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.454419 (E_RNA) where: Base-Base interactions energy: -2069.962 where: short stacking energy: -932.465 Base-Backbone interact. energy: -2.704 local terms energy: -987.788253 where: bonds (distance) C4'-P energy: -186.935 bonds (distance) P-C4' energy: -177.263 flat angles C4'-P-C4' energy: -219.506 flat angles P-C4'-P energy: -136.703 tors. eta vs tors. theta energy: -267.381 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: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2967.054344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.054344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.054344 (E_RNA) where: Base-Base interactions energy: -2011.203 where: short stacking energy: -878.485 Base-Backbone interact. energy: -9.545 local terms energy: -946.305789 where: bonds (distance) C4'-P energy: -185.406 bonds (distance) P-C4' energy: -173.326 flat angles C4'-P-C4' energy: -201.218 flat angles P-C4'-P energy: -144.347 tors. eta vs tors. theta energy: -242.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2785.075577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.075577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.075577 (E_RNA) where: Base-Base interactions energy: -1886.035 where: short stacking energy: -870.535 Base-Backbone interact. energy: -3.067 local terms energy: -895.973994 where: bonds (distance) C4'-P energy: -164.598 bonds (distance) P-C4' energy: -162.371 flat angles C4'-P-C4' energy: -196.492 flat angles P-C4'-P energy: -138.494 tors. eta vs tors. theta energy: -234.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2525.922864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.922864 (E_RNA) where: Base-Base interactions energy: -1672.335 where: short stacking energy: -736.449 Base-Backbone interact. energy: -3.347 local terms energy: -850.240635 where: bonds (distance) C4'-P energy: -166.498 bonds (distance) P-C4' energy: -189.407 flat angles C4'-P-C4' energy: -170.797 flat angles P-C4'-P energy: -123.695 tors. eta vs tors. theta energy: -199.844 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: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2482.172648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.172648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.172648 (E_RNA) where: Base-Base interactions energy: -1669.400 where: short stacking energy: -715.693 Base-Backbone interact. energy: -3.947 local terms energy: -808.825380 where: bonds (distance) C4'-P energy: -155.716 bonds (distance) P-C4' energy: -180.161 flat angles C4'-P-C4' energy: -186.545 flat angles P-C4'-P energy: -105.844 tors. eta vs tors. theta energy: -180.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2005.884140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.884140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.884140 (E_RNA) where: Base-Base interactions energy: -1312.800 where: short stacking energy: -593.549 Base-Backbone interact. energy: -1.015 local terms energy: -692.068259 where: bonds (distance) C4'-P energy: -150.435 bonds (distance) P-C4' energy: -165.754 flat angles C4'-P-C4' energy: -135.660 flat angles P-C4'-P energy: -105.203 tors. eta vs tors. theta energy: -135.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1891.258479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.258479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.258479 (E_RNA) where: Base-Base interactions energy: -1192.557 where: short stacking energy: -588.264 Base-Backbone interact. energy: -3.685 local terms energy: -695.015582 where: bonds (distance) C4'-P energy: -143.467 bonds (distance) P-C4' energy: -147.928 flat angles C4'-P-C4' energy: -163.114 flat angles P-C4'-P energy: -110.834 tors. eta vs tors. theta energy: -129.673 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: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1524.584064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.584064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.584064 (E_RNA) where: Base-Base interactions energy: -894.040 where: short stacking energy: -443.534 Base-Backbone interact. energy: -4.892 local terms energy: -625.652013 where: bonds (distance) C4'-P energy: -144.990 bonds (distance) P-C4' energy: -175.678 flat angles C4'-P-C4' energy: -138.063 flat angles P-C4'-P energy: -108.788 tors. eta vs tors. theta energy: -58.134 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1395.087710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.087710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.087710 (E_RNA) where: Base-Base interactions energy: -846.934 where: short stacking energy: -372.477 Base-Backbone interact. energy: 3.098 local terms energy: -551.251448 where: bonds (distance) C4'-P energy: -133.625 bonds (distance) P-C4' energy: -145.387 flat angles C4'-P-C4' energy: -150.129 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -39.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -861.988070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.988070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.988070 (E_RNA) where: Base-Base interactions energy: -414.361 where: short stacking energy: -267.579 Base-Backbone interact. energy: 6.596 local terms energy: -454.222694 where: bonds (distance) C4'-P energy: -138.035 bonds (distance) P-C4' energy: -138.381 flat angles C4'-P-C4' energy: -133.573 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: 17.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3052.220281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.220281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.220281 (E_RNA) where: Base-Base interactions energy: -2069.390 where: short stacking energy: -917.012 Base-Backbone interact. energy: -5.886 local terms energy: -976.943752 where: bonds (distance) C4'-P energy: -184.930 bonds (distance) P-C4' energy: -200.694 flat angles C4'-P-C4' energy: -202.290 flat angles P-C4'-P energy: -129.426 tors. eta vs tors. theta energy: -259.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2949.179830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.179830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.179830 (E_RNA) where: Base-Base interactions energy: -2005.869 where: short stacking energy: -874.251 Base-Backbone interact. energy: -3.348 local terms energy: -939.963073 where: bonds (distance) C4'-P energy: -182.637 bonds (distance) P-C4' energy: -180.734 flat angles C4'-P-C4' energy: -211.144 flat angles P-C4'-P energy: -124.217 tors. eta vs tors. theta energy: -241.231 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: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2801.754183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.754183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.754183 (E_RNA) where: Base-Base interactions energy: -1881.754 where: short stacking energy: -805.249 Base-Backbone interact. energy: -3.344 local terms energy: -916.656250 where: bonds (distance) C4'-P energy: -160.465 bonds (distance) P-C4' energy: -178.288 flat angles C4'-P-C4' energy: -208.863 flat angles P-C4'-P energy: -130.546 tors. eta vs tors. theta energy: -238.494 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: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2594.535174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.535174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.535174 (E_RNA) where: Base-Base interactions energy: -1740.700 where: short stacking energy: -778.691 Base-Backbone interact. energy: 5.490 local terms energy: -859.325075 where: bonds (distance) C4'-P energy: -181.926 bonds (distance) P-C4' energy: -166.554 flat angles C4'-P-C4' energy: -191.092 flat angles P-C4'-P energy: -114.501 tors. eta vs tors. theta energy: -205.252 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: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2522.462740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.462740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.462740 (E_RNA) where: Base-Base interactions energy: -1687.189 where: short stacking energy: -765.020 Base-Backbone interact. energy: -3.730 local terms energy: -831.544469 where: bonds (distance) C4'-P energy: -168.604 bonds (distance) P-C4' energy: -189.798 flat angles C4'-P-C4' energy: -176.772 flat angles P-C4'-P energy: -111.548 tors. eta vs tors. theta energy: -184.823 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: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1973.480286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.480286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.480286 (E_RNA) where: Base-Base interactions energy: -1276.753 where: short stacking energy: -570.448 Base-Backbone interact. energy: -0.866 local terms energy: -695.861471 where: bonds (distance) C4'-P energy: -159.507 bonds (distance) P-C4' energy: -160.312 flat angles C4'-P-C4' energy: -160.492 flat angles P-C4'-P energy: -103.513 tors. eta vs tors. theta energy: -112.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1925.601627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.601627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.601627 (E_RNA) where: Base-Base interactions energy: -1220.337 where: short stacking energy: -575.010 Base-Backbone interact. energy: -3.187 local terms energy: -702.077667 where: bonds (distance) C4'-P energy: -148.744 bonds (distance) P-C4' energy: -144.587 flat angles C4'-P-C4' energy: -177.408 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -125.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1631.685543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.685543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.685543 (E_RNA) where: Base-Base interactions energy: -1013.093 where: short stacking energy: -467.549 Base-Backbone interact. energy: -0.391 local terms energy: -618.201189 where: bonds (distance) C4'-P energy: -139.512 bonds (distance) P-C4' energy: -165.198 flat angles C4'-P-C4' energy: -165.446 flat angles P-C4'-P energy: -87.128 tors. eta vs tors. theta energy: -60.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1367.663004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.663004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.663004 (E_RNA) where: Base-Base interactions energy: -773.538 where: short stacking energy: -360.730 Base-Backbone interact. energy: -2.134 local terms energy: -591.990880 where: bonds (distance) C4'-P energy: -119.154 bonds (distance) P-C4' energy: -162.267 flat angles C4'-P-C4' energy: -154.385 flat angles P-C4'-P energy: -102.432 tors. eta vs tors. theta energy: -53.753 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: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -823.494925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.494925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.494925 (E_RNA) where: Base-Base interactions energy: -372.571 where: short stacking energy: -269.798 Base-Backbone interact. energy: 2.061 local terms energy: -452.984700 where: bonds (distance) C4'-P energy: -130.348 bonds (distance) P-C4' energy: -159.354 flat angles C4'-P-C4' energy: -150.085 flat angles P-C4'-P energy: -37.752 tors. eta vs tors. theta energy: 24.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3074.033613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.033613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.033613 (E_RNA) where: Base-Base interactions energy: -2086.357 where: short stacking energy: -893.825 Base-Backbone interact. energy: -8.258 local terms energy: -979.418131 where: bonds (distance) C4'-P energy: -183.030 bonds (distance) P-C4' energy: -187.844 flat angles C4'-P-C4' energy: -213.354 flat angles P-C4'-P energy: -135.030 tors. eta vs tors. theta energy: -260.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2970.127352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.127352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.127352 (E_RNA) where: Base-Base interactions energy: -2006.012 where: short stacking energy: -887.810 Base-Backbone interact. energy: -5.414 local terms energy: -958.701189 where: bonds (distance) C4'-P energy: -172.920 bonds (distance) P-C4' energy: -186.252 flat angles C4'-P-C4' energy: -207.314 flat angles P-C4'-P energy: -146.262 tors. eta vs tors. theta energy: -245.953 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: 113 Temperature: 1.000000 Total energy: -2859.106042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.106042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.106042 (E_RNA) where: Base-Base interactions energy: -1952.879 where: short stacking energy: -868.544 Base-Backbone interact. energy: -3.814 local terms energy: -902.413507 where: bonds (distance) C4'-P energy: -156.893 bonds (distance) P-C4' energy: -187.915 flat angles C4'-P-C4' energy: -193.647 flat angles P-C4'-P energy: -122.659 tors. eta vs tors. theta energy: -241.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2566.553674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.553674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.553674 (E_RNA) where: Base-Base interactions energy: -1712.281 where: short stacking energy: -766.518 Base-Backbone interact. energy: -2.460 local terms energy: -851.812094 where: bonds (distance) C4'-P energy: -171.598 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -191.190 flat angles P-C4'-P energy: -125.072 tors. eta vs tors. theta energy: -212.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2525.747589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.747589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.747589 (E_RNA) where: Base-Base interactions energy: -1734.848 where: short stacking energy: -745.486 Base-Backbone interact. energy: -1.172 local terms energy: -789.727592 where: bonds (distance) C4'-P energy: -139.413 bonds (distance) P-C4' energy: -168.965 flat angles C4'-P-C4' energy: -188.568 flat angles P-C4'-P energy: -108.925 tors. eta vs tors. theta energy: -183.856 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: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2067.640138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.640138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.640138 (E_RNA) where: Base-Base interactions energy: -1309.182 where: short stacking energy: -631.476 Base-Backbone interact. energy: 1.304 local terms energy: -759.762732 where: bonds (distance) C4'-P energy: -156.921 bonds (distance) P-C4' energy: -166.053 flat angles C4'-P-C4' energy: -165.949 flat angles P-C4'-P energy: -111.446 tors. eta vs tors. theta energy: -159.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1801.570415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.570415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.570415 (E_RNA) where: Base-Base interactions energy: -1123.490 where: short stacking energy: -498.013 Base-Backbone interact. energy: -7.026 local terms energy: -671.054970 where: bonds (distance) C4'-P energy: -150.510 bonds (distance) P-C4' energy: -154.107 flat angles C4'-P-C4' energy: -162.696 flat angles P-C4'-P energy: -109.829 tors. eta vs tors. theta energy: -93.913 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: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1670.573041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.573041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.573041 (E_RNA) where: Base-Base interactions energy: -1066.925 where: short stacking energy: -500.425 Base-Backbone interact. energy: 7.142 local terms energy: -610.790759 where: bonds (distance) C4'-P energy: -135.881 bonds (distance) P-C4' energy: -134.105 flat angles C4'-P-C4' energy: -177.721 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -77.572 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: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1328.529370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.529370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.529370 (E_RNA) where: Base-Base interactions energy: -779.046 where: short stacking energy: -384.982 Base-Backbone interact. energy: 1.592 local terms energy: -551.075359 where: bonds (distance) C4'-P energy: -119.845 bonds (distance) P-C4' energy: -150.790 flat angles C4'-P-C4' energy: -172.012 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -29.783 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: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -801.717191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.717191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.717191 (E_RNA) where: Base-Base interactions energy: -352.936 where: short stacking energy: -212.935 Base-Backbone interact. energy: -5.224 local terms energy: -443.557389 where: bonds (distance) C4'-P energy: -155.944 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -127.715 flat angles P-C4'-P energy: -65.753 tors. eta vs tors. theta energy: 37.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3049.221970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.221970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.221970 (E_RNA) where: Base-Base interactions energy: -2078.544 where: short stacking energy: -919.768 Base-Backbone interact. energy: -5.321 local terms energy: -965.356912 where: bonds (distance) C4'-P energy: -184.868 bonds (distance) P-C4' energy: -170.189 flat angles C4'-P-C4' energy: -221.022 flat angles P-C4'-P energy: -127.840 tors. eta vs tors. theta energy: -261.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2931.183642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.183642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.183642 (E_RNA) where: Base-Base interactions energy: -1987.555 where: short stacking energy: -880.573 Base-Backbone interact. energy: -4.910 local terms energy: -938.719007 where: bonds (distance) C4'-P energy: -178.743 bonds (distance) P-C4' energy: -180.717 flat angles C4'-P-C4' energy: -216.743 flat angles P-C4'-P energy: -115.105 tors. eta vs tors. theta energy: -247.410 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: 10 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2849.474959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.474959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.474959 (E_RNA) where: Base-Base interactions energy: -1942.793 where: short stacking energy: -864.617 Base-Backbone interact. energy: -6.607 local terms energy: -900.074419 where: bonds (distance) C4'-P energy: -168.034 bonds (distance) P-C4' energy: -169.473 flat angles C4'-P-C4' energy: -193.030 flat angles P-C4'-P energy: -115.919 tors. eta vs tors. theta energy: -253.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2540.027974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.027974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.027974 (E_RNA) where: Base-Base interactions energy: -1702.273 where: short stacking energy: -806.112 Base-Backbone interact. energy: -7.295 local terms energy: -830.459482 where: bonds (distance) C4'-P energy: -171.406 bonds (distance) P-C4' energy: -136.346 flat angles C4'-P-C4' energy: -193.898 flat angles P-C4'-P energy: -112.359 tors. eta vs tors. theta energy: -216.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2538.259639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.259639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.259639 (E_RNA) where: Base-Base interactions energy: -1715.884 where: short stacking energy: -751.619 Base-Backbone interact. energy: -0.636 local terms energy: -821.739219 where: bonds (distance) C4'-P energy: -144.906 bonds (distance) P-C4' energy: -170.130 flat angles C4'-P-C4' energy: -188.333 flat angles P-C4'-P energy: -114.723 tors. eta vs tors. theta energy: -203.647 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: 114 Temperature: 1.150000 Total energy: -2089.909081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.909081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.909081 (E_RNA) where: Base-Base interactions energy: -1354.437 where: short stacking energy: -633.841 Base-Backbone interact. energy: -3.125 local terms energy: -732.347076 where: bonds (distance) C4'-P energy: -155.853 bonds (distance) P-C4' energy: -167.715 flat angles C4'-P-C4' energy: -159.654 flat angles P-C4'-P energy: -101.594 tors. eta vs tors. theta energy: -147.531 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: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1893.293850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.293850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.293850 (E_RNA) where: Base-Base interactions energy: -1227.581 where: short stacking energy: -590.981 Base-Backbone interact. energy: -2.122 local terms energy: -663.590912 where: bonds (distance) C4'-P energy: -148.165 bonds (distance) P-C4' energy: -139.267 flat angles C4'-P-C4' energy: -156.901 flat angles P-C4'-P energy: -96.037 tors. eta vs tors. theta energy: -123.221 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: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1630.524062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.524062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.524062 (E_RNA) where: Base-Base interactions energy: -1014.594 where: short stacking energy: -483.126 Base-Backbone interact. energy: -0.727 local terms energy: -615.202938 where: bonds (distance) C4'-P energy: -153.575 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -150.338 flat angles P-C4'-P energy: -95.617 tors. eta vs tors. theta energy: -82.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1344.029477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.029477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.029477 (E_RNA) where: Base-Base interactions energy: -791.572 where: short stacking energy: -396.669 Base-Backbone interact. energy: 0.842 local terms energy: -553.299210 where: bonds (distance) C4'-P energy: -142.120 bonds (distance) P-C4' energy: -131.016 flat angles C4'-P-C4' energy: -121.891 flat angles P-C4'-P energy: -102.356 tors. eta vs tors. theta energy: -55.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -754.093648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.093648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.093648 (E_RNA) where: Base-Base interactions energy: -313.785 where: short stacking energy: -216.600 Base-Backbone interact. energy: 5.597 local terms energy: -445.905886 where: bonds (distance) C4'-P energy: -135.346 bonds (distance) P-C4' energy: -146.382 flat angles C4'-P-C4' energy: -136.804 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: 33.357 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: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3016.023648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.023648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.023648 (E_RNA) where: Base-Base interactions energy: -2066.365 where: short stacking energy: -920.595 Base-Backbone interact. energy: -3.683 local terms energy: -945.975581 where: bonds (distance) C4'-P energy: -182.130 bonds (distance) P-C4' energy: -180.641 flat angles C4'-P-C4' energy: -206.875 flat angles P-C4'-P energy: -130.109 tors. eta vs tors. theta energy: -246.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2936.727189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.727189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.727189 (E_RNA) where: Base-Base interactions energy: -1982.523 where: short stacking energy: -864.801 Base-Backbone interact. energy: -5.579 local terms energy: -948.624441 where: bonds (distance) C4'-P energy: -171.394 bonds (distance) P-C4' energy: -184.587 flat angles C4'-P-C4' energy: -194.834 flat angles P-C4'-P energy: -147.524 tors. eta vs tors. theta energy: -250.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2942.556807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.556807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.556807 (E_RNA) where: Base-Base interactions energy: -2010.545 where: short stacking energy: -888.194 Base-Backbone interact. energy: -0.701 local terms energy: -931.310949 where: bonds (distance) C4'-P energy: -166.004 bonds (distance) P-C4' energy: -174.149 flat angles C4'-P-C4' energy: -208.209 flat angles P-C4'-P energy: -127.634 tors. eta vs tors. theta energy: -255.315 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: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2511.080081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.080081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.080081 (E_RNA) where: Base-Base interactions energy: -1678.035 where: short stacking energy: -737.437 Base-Backbone interact. energy: -4.070 local terms energy: -828.974616 where: bonds (distance) C4'-P energy: -154.205 bonds (distance) P-C4' energy: -173.604 flat angles C4'-P-C4' energy: -190.372 flat angles P-C4'-P energy: -127.619 tors. eta vs tors. theta energy: -183.175 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: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2589.285530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.285530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.285530 (E_RNA) where: Base-Base interactions energy: -1786.424 where: short stacking energy: -795.020 Base-Backbone interact. energy: -4.161 local terms energy: -798.701047 where: bonds (distance) C4'-P energy: -147.246 bonds (distance) P-C4' energy: -150.553 flat angles C4'-P-C4' energy: -186.524 flat angles P-C4'-P energy: -104.435 tors. eta vs tors. theta energy: -209.942 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: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2082.332139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.332139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.332139 (E_RNA) where: Base-Base interactions energy: -1334.302 where: short stacking energy: -610.221 Base-Backbone interact. energy: 1.713 local terms energy: -749.742799 where: bonds (distance) C4'-P energy: -150.580 bonds (distance) P-C4' energy: -175.480 flat angles C4'-P-C4' energy: -144.687 flat angles P-C4'-P energy: -117.400 tors. eta vs tors. theta energy: -161.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1901.329738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.329738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.329738 (E_RNA) where: Base-Base interactions energy: -1201.057 where: short stacking energy: -561.422 Base-Backbone interact. energy: -1.058 local terms energy: -699.215406 where: bonds (distance) C4'-P energy: -164.844 bonds (distance) P-C4' energy: -163.013 flat angles C4'-P-C4' energy: -157.493 flat angles P-C4'-P energy: -89.323 tors. eta vs tors. theta energy: -124.542 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: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1622.315224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.315224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.315224 (E_RNA) where: Base-Base interactions energy: -999.915 where: short stacking energy: -483.382 Base-Backbone interact. energy: -0.257 local terms energy: -622.142449 where: bonds (distance) C4'-P energy: -158.156 bonds (distance) P-C4' energy: -170.882 flat angles C4'-P-C4' energy: -144.912 flat angles P-C4'-P energy: -81.147 tors. eta vs tors. theta energy: -67.046 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: 115 Temperature: 1.300000 Total energy: -1297.561497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.561497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.561497 (E_RNA) where: Base-Base interactions energy: -725.756 where: short stacking energy: -396.056 Base-Backbone interact. energy: -4.027 local terms energy: -567.778908 where: bonds (distance) C4'-P energy: -138.349 bonds (distance) P-C4' energy: -151.460 flat angles C4'-P-C4' energy: -146.488 flat angles P-C4'-P energy: -87.798 tors. eta vs tors. theta energy: -43.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -743.924661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.924661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.924661 (E_RNA) where: Base-Base interactions energy: -258.705 where: short stacking energy: -196.757 Base-Backbone interact. energy: -1.435 local terms energy: -483.784984 where: bonds (distance) C4'-P energy: -144.275 bonds (distance) P-C4' energy: -159.694 flat angles C4'-P-C4' energy: -120.882 flat angles P-C4'-P energy: -92.636 tors. eta vs tors. theta energy: 33.702 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: 116 Temperature: 0.900000 Total energy: -3007.302276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.302276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.302276 (E_RNA) where: Base-Base interactions energy: -2058.109 where: short stacking energy: -940.834 Base-Backbone interact. energy: 1.164 local terms energy: -950.357057 where: bonds (distance) C4'-P energy: -175.444 bonds (distance) P-C4' energy: -182.432 flat angles C4'-P-C4' energy: -209.398 flat angles P-C4'-P energy: -134.974 tors. eta vs tors. theta energy: -248.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2903.749086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.749086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.749086 (E_RNA) where: Base-Base interactions energy: -1981.177 where: short stacking energy: -876.297 Base-Backbone interact. energy: -10.080 local terms energy: -912.492016 where: bonds (distance) C4'-P energy: -181.076 bonds (distance) P-C4' energy: -174.433 flat angles C4'-P-C4' energy: -188.713 flat angles P-C4'-P energy: -122.156 tors. eta vs tors. theta energy: -246.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2865.284591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.284591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.284591 (E_RNA) where: Base-Base interactions energy: -1954.396 where: short stacking energy: -856.282 Base-Backbone interact. energy: -7.173 local terms energy: -903.715049 where: bonds (distance) C4'-P energy: -164.466 bonds (distance) P-C4' energy: -177.701 flat angles C4'-P-C4' energy: -202.999 flat angles P-C4'-P energy: -120.881 tors. eta vs tors. theta energy: -237.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2520.146749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.146749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.146749 (E_RNA) where: Base-Base interactions energy: -1686.595 where: short stacking energy: -740.605 Base-Backbone interact. energy: -1.667 local terms energy: -831.884664 where: bonds (distance) C4'-P energy: -159.900 bonds (distance) P-C4' energy: -168.832 flat angles C4'-P-C4' energy: -187.402 flat angles P-C4'-P energy: -108.546 tors. eta vs tors. theta energy: -207.204 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: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2536.179273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.179273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.179273 (E_RNA) where: Base-Base interactions energy: -1754.956 where: short stacking energy: -755.837 Base-Backbone interact. energy: -3.761 local terms energy: -777.462429 where: bonds (distance) C4'-P energy: -122.312 bonds (distance) P-C4' energy: -159.783 flat angles C4'-P-C4' energy: -185.080 flat angles P-C4'-P energy: -101.595 tors. eta vs tors. theta energy: -208.693 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: 116 Temperature: 1.150000 Total energy: -2163.710699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.710699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.710699 (E_RNA) where: Base-Base interactions energy: -1400.631 where: short stacking energy: -653.389 Base-Backbone interact. energy: -1.057 local terms energy: -762.023461 where: bonds (distance) C4'-P energy: -156.760 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -179.308 flat angles P-C4'-P energy: -115.825 tors. eta vs tors. theta energy: -160.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1900.071739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.071739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.071739 (E_RNA) where: Base-Base interactions energy: -1215.832 where: short stacking energy: -535.548 Base-Backbone interact. energy: -5.016 local terms energy: -679.223130 where: bonds (distance) C4'-P energy: -158.124 bonds (distance) P-C4' energy: -172.502 flat angles C4'-P-C4' energy: -139.130 flat angles P-C4'-P energy: -91.154 tors. eta vs tors. theta energy: -118.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1538.961369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.961369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.961369 (E_RNA) where: Base-Base interactions energy: -920.678 where: short stacking energy: -462.353 Base-Backbone interact. energy: -2.849 local terms energy: -615.434471 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -165.219 flat angles C4'-P-C4' energy: -132.209 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -80.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1306.120914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.120914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.120914 (E_RNA) where: Base-Base interactions energy: -772.093 where: short stacking energy: -416.689 Base-Backbone interact. energy: -3.587 local terms energy: -530.441008 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -149.896 flat angles C4'-P-C4' energy: -124.547 flat angles P-C4'-P energy: -70.816 tors. eta vs tors. theta energy: -59.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -707.043977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.043977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.043977 (E_RNA) where: Base-Base interactions energy: -246.690 where: short stacking energy: -210.122 Base-Backbone interact. energy: 4.638 local terms energy: -464.992214 where: bonds (distance) C4'-P energy: -131.172 bonds (distance) P-C4' energy: -162.331 flat angles C4'-P-C4' energy: -139.492 flat angles P-C4'-P energy: -70.644 tors. eta vs tors. theta energy: 38.648 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: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3034.968124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.968124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.968124 (E_RNA) where: Base-Base interactions energy: -2029.792 where: short stacking energy: -889.170 Base-Backbone interact. energy: -5.193 local terms energy: -999.983025 where: bonds (distance) C4'-P energy: -192.196 bonds (distance) P-C4' energy: -201.643 flat angles C4'-P-C4' energy: -207.037 flat angles P-C4'-P energy: -141.512 tors. eta vs tors. theta energy: -257.596 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: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2964.102115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.102115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.102115 (E_RNA) where: Base-Base interactions energy: -2026.733 where: short stacking energy: -907.122 Base-Backbone interact. energy: -3.409 local terms energy: -933.960513 where: bonds (distance) C4'-P energy: -165.375 bonds (distance) P-C4' energy: -168.971 flat angles C4'-P-C4' energy: -210.329 flat angles P-C4'-P energy: -138.545 tors. eta vs tors. theta energy: -250.740 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: 117 Temperature: 1.000000 Total energy: -2918.757596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.757596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.757596 (E_RNA) where: Base-Base interactions energy: -1994.639 where: short stacking energy: -848.797 Base-Backbone interact. energy: 4.555 local terms energy: -928.673576 where: bonds (distance) C4'-P energy: -179.032 bonds (distance) P-C4' energy: -176.579 flat angles C4'-P-C4' energy: -196.877 flat angles P-C4'-P energy: -142.010 tors. eta vs tors. theta energy: -234.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2610.406270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.406270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.406270 (E_RNA) where: Base-Base interactions energy: -1767.199 where: short stacking energy: -771.612 Base-Backbone interact. energy: -5.057 local terms energy: -838.150255 where: bonds (distance) C4'-P energy: -164.340 bonds (distance) P-C4' energy: -190.289 flat angles C4'-P-C4' energy: -175.610 flat angles P-C4'-P energy: -107.861 tors. eta vs tors. theta energy: -200.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2471.603291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.603291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.603291 (E_RNA) where: Base-Base interactions energy: -1663.089 where: short stacking energy: -724.289 Base-Backbone interact. energy: -1.043 local terms energy: -807.471079 where: bonds (distance) C4'-P energy: -160.041 bonds (distance) P-C4' energy: -156.591 flat angles C4'-P-C4' energy: -179.520 flat angles P-C4'-P energy: -118.466 tors. eta vs tors. theta energy: -192.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2213.500538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.500538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.500538 (E_RNA) where: Base-Base interactions energy: -1446.545 where: short stacking energy: -724.220 Base-Backbone interact. energy: -2.246 local terms energy: -764.709676 where: bonds (distance) C4'-P energy: -138.542 bonds (distance) P-C4' energy: -150.466 flat angles C4'-P-C4' energy: -189.152 flat angles P-C4'-P energy: -104.729 tors. eta vs tors. theta energy: -181.820 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: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1890.181693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.181693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.181693 (E_RNA) where: Base-Base interactions energy: -1195.271 where: short stacking energy: -575.270 Base-Backbone interact. energy: -4.866 local terms energy: -690.044373 where: bonds (distance) C4'-P energy: -149.412 bonds (distance) P-C4' energy: -170.484 flat angles C4'-P-C4' energy: -145.180 flat angles P-C4'-P energy: -96.793 tors. eta vs tors. theta energy: -128.175 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: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1596.389226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.389226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.389226 (E_RNA) where: Base-Base interactions energy: -973.632 where: short stacking energy: -465.889 Base-Backbone interact. energy: -6.007 local terms energy: -616.750104 where: bonds (distance) C4'-P energy: -156.188 bonds (distance) P-C4' energy: -159.010 flat angles C4'-P-C4' energy: -166.673 flat angles P-C4'-P energy: -79.013 tors. eta vs tors. theta energy: -55.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1341.831419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.831419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.831419 (E_RNA) where: Base-Base interactions energy: -734.008 where: short stacking energy: -358.998 Base-Backbone interact. energy: -1.311 local terms energy: -606.512520 where: bonds (distance) C4'-P energy: -130.650 bonds (distance) P-C4' energy: -178.909 flat angles C4'-P-C4' energy: -144.346 flat angles P-C4'-P energy: -101.527 tors. eta vs tors. theta energy: -51.080 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: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -732.257780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.257780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.257780 (E_RNA) where: Base-Base interactions energy: -263.984 where: short stacking energy: -207.513 Base-Backbone interact. energy: -0.896 local terms energy: -467.377622 where: bonds (distance) C4'-P energy: -130.128 bonds (distance) P-C4' energy: -159.968 flat angles C4'-P-C4' energy: -112.622 flat angles P-C4'-P energy: -87.908 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: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3008.122494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.122494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.122494 (E_RNA) where: Base-Base interactions energy: -2039.910 where: short stacking energy: -921.254 Base-Backbone interact. energy: -6.596 local terms energy: -961.616156 where: bonds (distance) C4'-P energy: -169.948 bonds (distance) P-C4' energy: -183.660 flat angles C4'-P-C4' energy: -204.794 flat angles P-C4'-P energy: -147.150 tors. eta vs tors. theta energy: -256.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2972.812801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.812801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.812801 (E_RNA) where: Base-Base interactions energy: -2044.947 where: short stacking energy: -843.822 Base-Backbone interact. energy: -2.820 local terms energy: -925.046432 where: bonds (distance) C4'-P energy: -184.265 bonds (distance) P-C4' energy: -173.440 flat angles C4'-P-C4' energy: -200.680 flat angles P-C4'-P energy: -130.925 tors. eta vs tors. theta energy: -235.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2927.036254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.036254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.036254 (E_RNA) where: Base-Base interactions energy: -2011.707 where: short stacking energy: -894.888 Base-Backbone interact. energy: -5.380 local terms energy: -909.949466 where: bonds (distance) C4'-P energy: -180.876 bonds (distance) P-C4' energy: -159.335 flat angles C4'-P-C4' energy: -194.168 flat angles P-C4'-P energy: -127.058 tors. eta vs tors. theta energy: -248.512 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: 9 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2618.686657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.686657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.686657 (E_RNA) where: Base-Base interactions energy: -1748.406 where: short stacking energy: -747.769 Base-Backbone interact. energy: -3.223 local terms energy: -867.057657 where: bonds (distance) C4'-P energy: -177.756 bonds (distance) P-C4' energy: -179.906 flat angles C4'-P-C4' energy: -183.302 flat angles P-C4'-P energy: -125.532 tors. eta vs tors. theta energy: -200.562 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: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2441.149171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.149171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.149171 (E_RNA) where: Base-Base interactions energy: -1658.539 where: short stacking energy: -728.870 Base-Backbone interact. energy: 4.894 local terms energy: -787.503545 where: bonds (distance) C4'-P energy: -138.460 bonds (distance) P-C4' energy: -163.155 flat angles C4'-P-C4' energy: -184.303 flat angles P-C4'-P energy: -113.415 tors. eta vs tors. theta energy: -188.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2194.172561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.172561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.172561 (E_RNA) where: Base-Base interactions energy: -1418.453 where: short stacking energy: -664.002 Base-Backbone interact. energy: -3.995 local terms energy: -771.724145 where: bonds (distance) C4'-P energy: -171.363 bonds (distance) P-C4' energy: -158.677 flat angles C4'-P-C4' energy: -171.583 flat angles P-C4'-P energy: -100.008 tors. eta vs tors. theta energy: -170.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1787.692482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.692482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.692482 (E_RNA) where: Base-Base interactions energy: -1142.799 where: short stacking energy: -508.990 Base-Backbone interact. energy: -0.166 local terms energy: -644.727834 where: bonds (distance) C4'-P energy: -143.906 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -156.212 flat angles P-C4'-P energy: -108.938 tors. eta vs tors. theta energy: -92.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1642.388468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.388468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.388468 (E_RNA) where: Base-Base interactions energy: -1012.173 where: short stacking energy: -487.326 Base-Backbone interact. energy: -4.645 local terms energy: -625.570674 where: bonds (distance) C4'-P energy: -150.451 bonds (distance) P-C4' energy: -165.220 flat angles C4'-P-C4' energy: -136.279 flat angles P-C4'-P energy: -94.144 tors. eta vs tors. theta energy: -79.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1284.459515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.459515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.459515 (E_RNA) where: Base-Base interactions energy: -743.397 where: short stacking energy: -362.971 Base-Backbone interact. energy: 3.823 local terms energy: -544.885610 where: bonds (distance) C4'-P energy: -135.184 bonds (distance) P-C4' energy: -143.774 flat angles C4'-P-C4' energy: -140.460 flat angles P-C4'-P energy: -90.391 tors. eta vs tors. theta energy: -35.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -695.175771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.175771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.175771 (E_RNA) where: Base-Base interactions energy: -232.454 where: short stacking energy: -172.764 Base-Backbone interact. energy: 0.322 local terms energy: -463.044337 where: bonds (distance) C4'-P energy: -143.881 bonds (distance) P-C4' energy: -160.107 flat angles C4'-P-C4' energy: -130.881 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: 36.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3001.431410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.431410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.431410 (E_RNA) where: Base-Base interactions energy: -2033.891 where: short stacking energy: -943.837 Base-Backbone interact. energy: -3.202 local terms energy: -964.338367 where: bonds (distance) C4'-P energy: -173.476 bonds (distance) P-C4' energy: -188.748 flat angles C4'-P-C4' energy: -213.962 flat angles P-C4'-P energy: -126.209 tors. eta vs tors. theta energy: -261.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2972.877891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.877891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.877891 (E_RNA) where: Base-Base interactions energy: -2061.478 where: short stacking energy: -910.906 Base-Backbone interact. energy: -0.902 local terms energy: -910.497527 where: bonds (distance) C4'-P energy: -169.915 bonds (distance) P-C4' energy: -160.766 flat angles C4'-P-C4' energy: -191.578 flat angles P-C4'-P energy: -132.259 tors. eta vs tors. theta energy: -255.979 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: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2901.522348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.522348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.522348 (E_RNA) where: Base-Base interactions energy: -1997.935 where: short stacking energy: -864.730 Base-Backbone interact. energy: -6.489 local terms energy: -897.098689 where: bonds (distance) C4'-P energy: -171.695 bonds (distance) P-C4' energy: -160.002 flat angles C4'-P-C4' energy: -190.632 flat angles P-C4'-P energy: -134.532 tors. eta vs tors. theta energy: -240.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2642.112172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.112172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.112172 (E_RNA) where: Base-Base interactions energy: -1796.513 where: short stacking energy: -770.456 Base-Backbone interact. energy: -2.156 local terms energy: -843.443117 where: bonds (distance) C4'-P energy: -158.226 bonds (distance) P-C4' energy: -187.425 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -113.812 tors. eta vs tors. theta energy: -202.551 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: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2417.980145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.980145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.980145 (E_RNA) where: Base-Base interactions energy: -1612.106 where: short stacking energy: -715.729 Base-Backbone interact. energy: -2.371 local terms energy: -803.503439 where: bonds (distance) C4'-P energy: -154.303 bonds (distance) P-C4' energy: -168.759 flat angles C4'-P-C4' energy: -183.389 flat angles P-C4'-P energy: -108.577 tors. eta vs tors. theta energy: -188.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2204.890831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.890831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.890831 (E_RNA) where: Base-Base interactions energy: -1456.495 where: short stacking energy: -714.780 Base-Backbone interact. energy: 0.515 local terms energy: -748.910857 where: bonds (distance) C4'-P energy: -124.316 bonds (distance) P-C4' energy: -160.932 flat angles C4'-P-C4' energy: -170.254 flat angles P-C4'-P energy: -110.107 tors. eta vs tors. theta energy: -183.301 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: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1893.572924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.572924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.572924 (E_RNA) where: Base-Base interactions energy: -1175.506 where: short stacking energy: -561.636 Base-Backbone interact. energy: 1.540 local terms energy: -719.606882 where: bonds (distance) C4'-P energy: -151.069 bonds (distance) P-C4' energy: -175.148 flat angles C4'-P-C4' energy: -167.113 flat angles P-C4'-P energy: -108.898 tors. eta vs tors. theta energy: -117.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1552.871802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.871802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.871802 (E_RNA) where: Base-Base interactions energy: -938.565 where: short stacking energy: -475.626 Base-Backbone interact. energy: 1.925 local terms energy: -616.232374 where: bonds (distance) C4'-P energy: -137.617 bonds (distance) P-C4' energy: -153.703 flat angles C4'-P-C4' energy: -153.405 flat angles P-C4'-P energy: -93.999 tors. eta vs tors. theta energy: -77.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1338.173915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.173915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.173915 (E_RNA) where: Base-Base interactions energy: -788.814 where: short stacking energy: -403.189 Base-Backbone interact. energy: 3.773 local terms energy: -553.132862 where: bonds (distance) C4'-P energy: -137.191 bonds (distance) P-C4' energy: -152.038 flat angles C4'-P-C4' energy: -145.876 flat angles P-C4'-P energy: -71.232 tors. eta vs tors. theta energy: -46.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -754.257031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.257031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.257031 (E_RNA) where: Base-Base interactions energy: -353.788 where: short stacking energy: -279.600 Base-Backbone interact. energy: 2.762 local terms energy: -403.231277 where: bonds (distance) C4'-P energy: -120.957 bonds (distance) P-C4' energy: -146.859 flat angles C4'-P-C4' energy: -119.441 flat angles P-C4'-P energy: -42.467 tors. eta vs tors. theta energy: 26.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3077.404174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.404174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.404174 (E_RNA) where: Base-Base interactions energy: -2123.508 where: short stacking energy: -909.496 Base-Backbone interact. energy: -2.777 local terms energy: -951.118895 where: bonds (distance) C4'-P energy: -179.075 bonds (distance) P-C4' energy: -179.735 flat angles C4'-P-C4' energy: -196.732 flat angles P-C4'-P energy: -130.185 tors. eta vs tors. theta energy: -265.391 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: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2912.880354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.880354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.880354 (E_RNA) where: Base-Base interactions energy: -1944.009 where: short stacking energy: -877.875 Base-Backbone interact. energy: -6.640 local terms energy: -962.230906 where: bonds (distance) C4'-P energy: -191.332 bonds (distance) P-C4' energy: -177.304 flat angles C4'-P-C4' energy: -202.317 flat angles P-C4'-P energy: -149.283 tors. eta vs tors. theta energy: -241.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2895.625699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.625699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.625699 (E_RNA) where: Base-Base interactions energy: -1970.353 where: short stacking energy: -860.347 Base-Backbone interact. energy: -10.124 local terms energy: -915.148423 where: bonds (distance) C4'-P energy: -172.334 bonds (distance) P-C4' energy: -166.085 flat angles C4'-P-C4' energy: -192.903 flat angles P-C4'-P energy: -142.295 tors. eta vs tors. theta energy: -241.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2577.087060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.087060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.087060 (E_RNA) where: Base-Base interactions energy: -1728.812 where: short stacking energy: -744.356 Base-Backbone interact. energy: -5.914 local terms energy: -842.361588 where: bonds (distance) C4'-P energy: -172.320 bonds (distance) P-C4' energy: -153.493 flat angles C4'-P-C4' energy: -182.375 flat angles P-C4'-P energy: -133.978 tors. eta vs tors. theta energy: -200.196 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: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2395.926066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.926066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.926066 (E_RNA) where: Base-Base interactions energy: -1595.047 where: short stacking energy: -724.767 Base-Backbone interact. energy: -2.833 local terms energy: -798.046251 where: bonds (distance) C4'-P energy: -163.884 bonds (distance) P-C4' energy: -159.402 flat angles C4'-P-C4' energy: -181.085 flat angles P-C4'-P energy: -122.181 tors. eta vs tors. theta energy: -171.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2179.741331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.741331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.741331 (E_RNA) where: Base-Base interactions energy: -1409.141 where: short stacking energy: -650.873 Base-Backbone interact. energy: 1.571 local terms energy: -772.171511 where: bonds (distance) C4'-P energy: -151.115 bonds (distance) P-C4' energy: -159.305 flat angles C4'-P-C4' energy: -182.493 flat angles P-C4'-P energy: -112.610 tors. eta vs tors. theta energy: -166.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1812.041572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.041572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.041572 (E_RNA) where: Base-Base interactions energy: -1137.058 where: short stacking energy: -511.526 Base-Backbone interact. energy: -0.762 local terms energy: -674.222004 where: bonds (distance) C4'-P energy: -161.484 bonds (distance) P-C4' energy: -171.904 flat angles C4'-P-C4' energy: -146.942 flat angles P-C4'-P energy: -85.098 tors. eta vs tors. theta energy: -108.794 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: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1527.416944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.416944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.416944 (E_RNA) where: Base-Base interactions energy: -939.859 where: short stacking energy: -429.760 Base-Backbone interact. energy: -2.485 local terms energy: -585.072659 where: bonds (distance) C4'-P energy: -156.750 bonds (distance) P-C4' energy: -133.611 flat angles C4'-P-C4' energy: -136.055 flat angles P-C4'-P energy: -107.257 tors. eta vs tors. theta energy: -51.400 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: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1411.360353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.360353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.360353 (E_RNA) where: Base-Base interactions energy: -814.704 where: short stacking energy: -381.327 Base-Backbone interact. energy: -1.683 local terms energy: -594.973061 where: bonds (distance) C4'-P energy: -162.894 bonds (distance) P-C4' energy: -157.495 flat angles C4'-P-C4' energy: -143.282 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -48.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -783.216474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.216474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.216474 (E_RNA) where: Base-Base interactions energy: -328.894 where: short stacking energy: -222.889 Base-Backbone interact. energy: -3.192 local terms energy: -451.131076 where: bonds (distance) C4'-P energy: -126.421 bonds (distance) P-C4' energy: -138.423 flat angles C4'-P-C4' energy: -123.152 flat angles P-C4'-P energy: -87.641 tors. eta vs tors. theta energy: 24.507 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: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3081.416846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.416846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.416846 (E_RNA) where: Base-Base interactions energy: -2117.999 where: short stacking energy: -922.881 Base-Backbone interact. energy: -0.383 local terms energy: -963.034106 where: bonds (distance) C4'-P energy: -189.530 bonds (distance) P-C4' energy: -190.086 flat angles C4'-P-C4' energy: -194.712 flat angles P-C4'-P energy: -129.274 tors. eta vs tors. theta energy: -259.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2972.720880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.720880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.720880 (E_RNA) where: Base-Base interactions energy: -2026.745 where: short stacking energy: -883.800 Base-Backbone interact. energy: 4.114 local terms energy: -950.089527 where: bonds (distance) C4'-P energy: -182.770 bonds (distance) P-C4' energy: -180.327 flat angles C4'-P-C4' energy: -206.346 flat angles P-C4'-P energy: -128.206 tors. eta vs tors. theta energy: -252.441 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: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2792.980557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.980557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.980557 (E_RNA) where: Base-Base interactions energy: -1899.459 where: short stacking energy: -839.400 Base-Backbone interact. energy: 1.591 local terms energy: -895.112659 where: bonds (distance) C4'-P energy: -154.882 bonds (distance) P-C4' energy: -189.145 flat angles C4'-P-C4' energy: -192.239 flat angles P-C4'-P energy: -127.890 tors. eta vs tors. theta energy: -230.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2636.047213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.047213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.047213 (E_RNA) where: Base-Base interactions energy: -1752.567 where: short stacking energy: -767.119 Base-Backbone interact. energy: -0.943 local terms energy: -882.537519 where: bonds (distance) C4'-P energy: -178.030 bonds (distance) P-C4' energy: -174.529 flat angles C4'-P-C4' energy: -208.167 flat angles P-C4'-P energy: -123.722 tors. eta vs tors. theta energy: -198.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2456.307906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.307906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.307906 (E_RNA) where: Base-Base interactions energy: -1633.632 where: short stacking energy: -738.672 Base-Backbone interact. energy: -1.484 local terms energy: -821.192776 where: bonds (distance) C4'-P energy: -155.120 bonds (distance) P-C4' energy: -169.435 flat angles C4'-P-C4' energy: -189.680 flat angles P-C4'-P energy: -114.558 tors. eta vs tors. theta energy: -192.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2259.859317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.859317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.859317 (E_RNA) where: Base-Base interactions energy: -1455.845 where: short stacking energy: -686.853 Base-Backbone interact. energy: -0.534 local terms energy: -803.480314 where: bonds (distance) C4'-P energy: -163.637 bonds (distance) P-C4' energy: -165.949 flat angles C4'-P-C4' energy: -180.792 flat angles P-C4'-P energy: -112.968 tors. eta vs tors. theta energy: -180.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1837.400911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.400911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.400911 (E_RNA) where: Base-Base interactions energy: -1158.353 where: short stacking energy: -550.086 Base-Backbone interact. energy: 3.687 local terms energy: -682.735591 where: bonds (distance) C4'-P energy: -154.864 bonds (distance) P-C4' energy: -144.219 flat angles C4'-P-C4' energy: -167.329 flat angles P-C4'-P energy: -107.335 tors. eta vs tors. theta energy: -108.988 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: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1499.908259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.908259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.908259 (E_RNA) where: Base-Base interactions energy: -871.519 where: short stacking energy: -414.267 Base-Backbone interact. energy: -2.799 local terms energy: -625.590488 where: bonds (distance) C4'-P energy: -165.183 bonds (distance) P-C4' energy: -154.401 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -101.050 tors. eta vs tors. theta energy: -50.877 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: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1376.801426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.801426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.801426 (E_RNA) where: Base-Base interactions energy: -779.897 where: short stacking energy: -374.312 Base-Backbone interact. energy: -1.734 local terms energy: -595.170998 where: bonds (distance) C4'-P energy: -137.704 bonds (distance) P-C4' energy: -167.204 flat angles C4'-P-C4' energy: -143.906 flat angles P-C4'-P energy: -88.882 tors. eta vs tors. theta energy: -57.474 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: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -778.777398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.777398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.777398 (E_RNA) where: Base-Base interactions energy: -305.729 where: short stacking energy: -212.368 Base-Backbone interact. energy: 3.216 local terms energy: -476.263717 where: bonds (distance) C4'-P energy: -148.424 bonds (distance) P-C4' energy: -150.836 flat angles C4'-P-C4' energy: -130.728 flat angles P-C4'-P energy: -61.204 tors. eta vs tors. theta energy: 14.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3151.167467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.167467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.167467 (E_RNA) where: Base-Base interactions energy: -2168.544 where: short stacking energy: -944.717 Base-Backbone interact. energy: -6.156 local terms energy: -976.467453 where: bonds (distance) C4'-P energy: -168.433 bonds (distance) P-C4' energy: -183.628 flat angles C4'-P-C4' energy: -197.325 flat angles P-C4'-P energy: -146.175 tors. eta vs tors. theta energy: -280.907 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: 122 Temperature: 0.950000 Total energy: -2966.436758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.436758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.436758 (E_RNA) where: Base-Base interactions energy: -2062.801 where: short stacking energy: -888.548 Base-Backbone interact. energy: -1.783 local terms energy: -901.853428 where: bonds (distance) C4'-P energy: -165.680 bonds (distance) P-C4' energy: -179.183 flat angles C4'-P-C4' energy: -196.934 flat angles P-C4'-P energy: -119.003 tors. eta vs tors. theta energy: -241.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2822.198776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.198776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.198776 (E_RNA) where: Base-Base interactions energy: -1921.284 where: short stacking energy: -847.304 Base-Backbone interact. energy: -4.342 local terms energy: -896.572523 where: bonds (distance) C4'-P energy: -157.356 bonds (distance) P-C4' energy: -167.078 flat angles C4'-P-C4' energy: -200.969 flat angles P-C4'-P energy: -136.736 tors. eta vs tors. theta energy: -234.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2622.831590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.831590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.831590 (E_RNA) where: Base-Base interactions energy: -1755.179 where: short stacking energy: -782.433 Base-Backbone interact. energy: -5.147 local terms energy: -862.504893 where: bonds (distance) C4'-P energy: -161.283 bonds (distance) P-C4' energy: -179.928 flat angles C4'-P-C4' energy: -185.139 flat angles P-C4'-P energy: -113.465 tors. eta vs tors. theta energy: -222.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2453.999254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.999254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.999254 (E_RNA) where: Base-Base interactions energy: -1601.401 where: short stacking energy: -747.228 Base-Backbone interact. energy: -3.907 local terms energy: -848.691482 where: bonds (distance) C4'-P energy: -173.766 bonds (distance) P-C4' energy: -149.440 flat angles C4'-P-C4' energy: -181.599 flat angles P-C4'-P energy: -133.678 tors. eta vs tors. theta energy: -210.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2180.987787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.987787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.987787 (E_RNA) where: Base-Base interactions energy: -1425.985 where: short stacking energy: -650.134 Base-Backbone interact. energy: -1.678 local terms energy: -753.324732 where: bonds (distance) C4'-P energy: -155.568 bonds (distance) P-C4' energy: -182.344 flat angles C4'-P-C4' energy: -154.158 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -161.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1818.817824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.817824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.817824 (E_RNA) where: Base-Base interactions energy: -1131.337 where: short stacking energy: -520.570 Base-Backbone interact. energy: -1.722 local terms energy: -685.758815 where: bonds (distance) C4'-P energy: -164.670 bonds (distance) P-C4' energy: -162.289 flat angles C4'-P-C4' energy: -150.826 flat angles P-C4'-P energy: -96.101 tors. eta vs tors. theta energy: -111.874 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: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1592.649744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.649744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.649744 (E_RNA) where: Base-Base interactions energy: -998.340 where: short stacking energy: -457.821 Base-Backbone interact. energy: 2.408 local terms energy: -596.718021 where: bonds (distance) C4'-P energy: -140.943 bonds (distance) P-C4' energy: -167.128 flat angles C4'-P-C4' energy: -129.935 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -66.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1291.250461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.250461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.250461 (E_RNA) where: Base-Base interactions energy: -715.959 where: short stacking energy: -366.734 Base-Backbone interact. energy: 1.026 local terms energy: -576.318228 where: bonds (distance) C4'-P energy: -127.528 bonds (distance) P-C4' energy: -145.206 flat angles C4'-P-C4' energy: -159.757 flat angles P-C4'-P energy: -103.628 tors. eta vs tors. theta energy: -40.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -771.365370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.365370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.365370 (E_RNA) where: Base-Base interactions energy: -308.772 where: short stacking energy: -230.156 Base-Backbone interact. energy: -2.132 local terms energy: -460.461667 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -144.346 flat angles C4'-P-C4' energy: -118.812 flat angles P-C4'-P energy: -83.851 tors. eta vs tors. theta energy: 32.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -3118.679865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.679865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.679865 (E_RNA) where: Base-Base interactions energy: -2135.659 where: short stacking energy: -935.785 Base-Backbone interact. energy: -4.639 local terms energy: -978.381497 where: bonds (distance) C4'-P energy: -185.016 bonds (distance) P-C4' energy: -186.901 flat angles C4'-P-C4' energy: -202.211 flat angles P-C4'-P energy: -140.206 tors. eta vs tors. theta energy: -264.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2985.989510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.989510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.989510 (E_RNA) where: Base-Base interactions energy: -2048.323 where: short stacking energy: -884.309 Base-Backbone interact. energy: -6.627 local terms energy: -931.039233 where: bonds (distance) C4'-P energy: -179.325 bonds (distance) P-C4' energy: -188.788 flat angles C4'-P-C4' energy: -188.975 flat angles P-C4'-P energy: -138.289 tors. eta vs tors. theta energy: -235.662 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: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2827.311667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.311667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.311667 (E_RNA) where: Base-Base interactions energy: -1869.344 where: short stacking energy: -848.889 Base-Backbone interact. energy: -7.317 local terms energy: -950.650191 where: bonds (distance) C4'-P energy: -188.370 bonds (distance) P-C4' energy: -185.235 flat angles C4'-P-C4' energy: -197.518 flat angles P-C4'-P energy: -138.794 tors. eta vs tors. theta energy: -240.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2663.791136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.791136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.791136 (E_RNA) where: Base-Base interactions energy: -1767.880 where: short stacking energy: -793.506 Base-Backbone interact. energy: -6.113 local terms energy: -889.798269 where: bonds (distance) C4'-P energy: -179.971 bonds (distance) P-C4' energy: -162.495 flat angles C4'-P-C4' energy: -194.296 flat angles P-C4'-P energy: -125.746 tors. eta vs tors. theta energy: -227.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2432.420785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.420785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.420785 (E_RNA) where: Base-Base interactions energy: -1618.261 where: short stacking energy: -751.196 Base-Backbone interact. energy: -1.029 local terms energy: -813.130712 where: bonds (distance) C4'-P energy: -155.759 bonds (distance) P-C4' energy: -173.197 flat angles C4'-P-C4' energy: -179.366 flat angles P-C4'-P energy: -120.237 tors. eta vs tors. theta energy: -184.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2198.468507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.468507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.468507 (E_RNA) where: Base-Base interactions energy: -1402.719 where: short stacking energy: -647.967 Base-Backbone interact. energy: -4.094 local terms energy: -791.655579 where: bonds (distance) C4'-P energy: -160.129 bonds (distance) P-C4' energy: -166.233 flat angles C4'-P-C4' energy: -178.458 flat angles P-C4'-P energy: -118.416 tors. eta vs tors. theta energy: -168.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1765.075787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.075787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.075787 (E_RNA) where: Base-Base interactions energy: -1101.902 where: short stacking energy: -506.335 Base-Backbone interact. energy: 0.235 local terms energy: -663.408761 where: bonds (distance) C4'-P energy: -147.230 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -153.631 flat angles P-C4'-P energy: -93.656 tors. eta vs tors. theta energy: -102.666 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: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1534.891080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.891080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.891080 (E_RNA) where: Base-Base interactions energy: -955.199 where: short stacking energy: -426.517 Base-Backbone interact. energy: -2.712 local terms energy: -576.980317 where: bonds (distance) C4'-P energy: -138.731 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -146.379 flat angles P-C4'-P energy: -100.637 tors. eta vs tors. theta energy: -48.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1236.595806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.595806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.595806 (E_RNA) where: Base-Base interactions energy: -715.069 where: short stacking energy: -347.847 Base-Backbone interact. energy: -1.655 local terms energy: -519.871979 where: bonds (distance) C4'-P energy: -149.178 bonds (distance) P-C4' energy: -143.426 flat angles C4'-P-C4' energy: -120.985 flat angles P-C4'-P energy: -88.304 tors. eta vs tors. theta energy: -17.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -853.535931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.535931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.535931 (E_RNA) where: Base-Base interactions energy: -354.708 where: short stacking energy: -242.796 Base-Backbone interact. energy: 10.562 local terms energy: -509.389680 where: bonds (distance) C4'-P energy: -128.382 bonds (distance) P-C4' energy: -138.152 flat angles C4'-P-C4' energy: -134.557 flat angles P-C4'-P energy: -106.145 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3126.736744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.736744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.736744 (E_RNA) where: Base-Base interactions energy: -2133.412 where: short stacking energy: -950.137 Base-Backbone interact. energy: -2.363 local terms energy: -990.961183 where: bonds (distance) C4'-P energy: -179.156 bonds (distance) P-C4' energy: -191.150 flat angles C4'-P-C4' energy: -215.140 flat angles P-C4'-P energy: -130.388 tors. eta vs tors. theta energy: -275.128 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: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2990.718816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.718816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.718816 (E_RNA) where: Base-Base interactions energy: -2097.575 where: short stacking energy: -882.117 Base-Backbone interact. energy: -7.202 local terms energy: -885.941891 where: bonds (distance) C4'-P energy: -178.719 bonds (distance) P-C4' energy: -150.811 flat angles C4'-P-C4' energy: -206.383 flat angles P-C4'-P energy: -117.300 tors. eta vs tors. theta energy: -232.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2814.495677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.495677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.495677 (E_RNA) where: Base-Base interactions energy: -1895.318 where: short stacking energy: -870.356 Base-Backbone interact. energy: -4.237 local terms energy: -914.940870 where: bonds (distance) C4'-P energy: -179.331 bonds (distance) P-C4' energy: -165.609 flat angles C4'-P-C4' energy: -202.517 flat angles P-C4'-P energy: -125.106 tors. eta vs tors. theta energy: -242.377 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: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2638.658489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.658489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.658489 (E_RNA) where: Base-Base interactions energy: -1783.201 where: short stacking energy: -806.234 Base-Backbone interact. energy: -1.905 local terms energy: -853.552722 where: bonds (distance) C4'-P energy: -129.210 bonds (distance) P-C4' energy: -190.589 flat angles C4'-P-C4' energy: -193.127 flat angles P-C4'-P energy: -130.029 tors. eta vs tors. theta energy: -210.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2416.557780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.557780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.557780 (E_RNA) where: Base-Base interactions energy: -1620.296 where: short stacking energy: -724.707 Base-Backbone interact. energy: -0.762 local terms energy: -795.499379 where: bonds (distance) C4'-P energy: -164.962 bonds (distance) P-C4' energy: -168.503 flat angles C4'-P-C4' energy: -176.980 flat angles P-C4'-P energy: -104.522 tors. eta vs tors. theta energy: -180.532 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: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2225.331122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.331122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.331122 (E_RNA) where: Base-Base interactions energy: -1472.831 where: short stacking energy: -671.531 Base-Backbone interact. energy: -3.029 local terms energy: -749.470372 where: bonds (distance) C4'-P energy: -145.751 bonds (distance) P-C4' energy: -151.951 flat angles C4'-P-C4' energy: -169.626 flat angles P-C4'-P energy: -102.803 tors. eta vs tors. theta energy: -179.339 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1771.440816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.440816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.440816 (E_RNA) where: Base-Base interactions energy: -1087.982 where: short stacking energy: -539.463 Base-Backbone interact. energy: 1.183 local terms energy: -684.641467 where: bonds (distance) C4'-P energy: -159.510 bonds (distance) P-C4' energy: -159.016 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -105.001 tors. eta vs tors. theta energy: -113.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1612.784095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.784095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.784095 (E_RNA) where: Base-Base interactions energy: -986.132 where: short stacking energy: -462.361 Base-Backbone interact. energy: -3.919 local terms energy: -622.733148 where: bonds (distance) C4'-P energy: -163.206 bonds (distance) P-C4' energy: -138.307 flat angles C4'-P-C4' energy: -156.534 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -76.489 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: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1256.800916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.800916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.800916 (E_RNA) where: Base-Base interactions energy: -673.395 where: short stacking energy: -367.047 Base-Backbone interact. energy: 0.906 local terms energy: -584.311546 where: bonds (distance) C4'-P energy: -159.035 bonds (distance) P-C4' energy: -146.591 flat angles C4'-P-C4' energy: -141.790 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -44.561 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: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -856.209380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.209380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.209380 (E_RNA) where: Base-Base interactions energy: -372.390 where: short stacking energy: -231.638 Base-Backbone interact. energy: -0.063 local terms energy: -483.756994 where: bonds (distance) C4'-P energy: -153.106 bonds (distance) P-C4' energy: -150.824 flat angles C4'-P-C4' energy: -128.925 flat angles P-C4'-P energy: -72.537 tors. eta vs tors. theta energy: 21.635 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: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3113.245517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.245517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.245517 (E_RNA) where: Base-Base interactions energy: -2120.774 where: short stacking energy: -937.249 Base-Backbone interact. energy: -5.318 local terms energy: -987.153320 where: bonds (distance) C4'-P energy: -177.006 bonds (distance) P-C4' energy: -200.657 flat angles C4'-P-C4' energy: -200.080 flat angles P-C4'-P energy: -132.455 tors. eta vs tors. theta energy: -276.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -3000.608558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.608558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.608558 (E_RNA) where: Base-Base interactions energy: -2072.591 where: short stacking energy: -876.885 Base-Backbone interact. energy: -1.157 local terms energy: -926.860573 where: bonds (distance) C4'-P energy: -163.013 bonds (distance) P-C4' energy: -198.834 flat angles C4'-P-C4' energy: -202.259 flat angles P-C4'-P energy: -105.716 tors. eta vs tors. theta energy: -257.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2811.207989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.207989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.207989 (E_RNA) where: Base-Base interactions energy: -1915.252 where: short stacking energy: -856.639 Base-Backbone interact. energy: 3.178 local terms energy: -899.134123 where: bonds (distance) C4'-P energy: -173.066 bonds (distance) P-C4' energy: -176.342 flat angles C4'-P-C4' energy: -187.449 flat angles P-C4'-P energy: -133.971 tors. eta vs tors. theta energy: -228.306 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: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2710.252326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.252326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.252326 (E_RNA) where: Base-Base interactions energy: -1839.166 where: short stacking energy: -821.084 Base-Backbone interact. energy: -4.725 local terms energy: -866.361119 where: bonds (distance) C4'-P energy: -174.294 bonds (distance) P-C4' energy: -152.696 flat angles C4'-P-C4' energy: -191.803 flat angles P-C4'-P energy: -123.000 tors. eta vs tors. theta energy: -224.568 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2467.017927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.017927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.017927 (E_RNA) where: Base-Base interactions energy: -1678.890 where: short stacking energy: -741.194 Base-Backbone interact. energy: -4.927 local terms energy: -783.200638 where: bonds (distance) C4'-P energy: -146.020 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -179.256 flat angles P-C4'-P energy: -118.492 tors. eta vs tors. theta energy: -175.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2124.722040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.722040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.722040 (E_RNA) where: Base-Base interactions energy: -1382.997 where: short stacking energy: -653.141 Base-Backbone interact. energy: 4.353 local terms energy: -746.078030 where: bonds (distance) C4'-P energy: -159.367 bonds (distance) P-C4' energy: -162.077 flat angles C4'-P-C4' energy: -167.862 flat angles P-C4'-P energy: -97.036 tors. eta vs tors. theta energy: -159.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1698.319912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.319912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.319912 (E_RNA) where: Base-Base interactions energy: -1033.206 where: short stacking energy: -507.041 Base-Backbone interact. energy: -2.165 local terms energy: -662.949006 where: bonds (distance) C4'-P energy: -173.798 bonds (distance) P-C4' energy: -155.485 flat angles C4'-P-C4' energy: -156.708 flat angles P-C4'-P energy: -90.955 tors. eta vs tors. theta energy: -86.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1692.812655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.812655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.812655 (E_RNA) where: Base-Base interactions energy: -1024.226 where: short stacking energy: -500.333 Base-Backbone interact. energy: -2.126 local terms energy: -666.460620 where: bonds (distance) C4'-P energy: -157.394 bonds (distance) P-C4' energy: -175.023 flat angles C4'-P-C4' energy: -138.806 flat angles P-C4'-P energy: -102.300 tors. eta vs tors. theta energy: -92.937 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1332.862590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.862590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.862590 (E_RNA) where: Base-Base interactions energy: -779.439 where: short stacking energy: -349.633 Base-Backbone interact. energy: 2.537 local terms energy: -555.960629 where: bonds (distance) C4'-P energy: -136.523 bonds (distance) P-C4' energy: -153.988 flat angles C4'-P-C4' energy: -139.852 flat angles P-C4'-P energy: -93.323 tors. eta vs tors. theta energy: -32.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -848.992813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.992813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.992813 (E_RNA) where: Base-Base interactions energy: -405.513 where: short stacking energy: -265.632 Base-Backbone interact. energy: 2.532 local terms energy: -446.011805 where: bonds (distance) C4'-P energy: -150.956 bonds (distance) P-C4' energy: -120.236 flat angles C4'-P-C4' energy: -115.488 flat angles P-C4'-P energy: -70.204 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: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3119.684853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.684853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.684853 (E_RNA) where: Base-Base interactions energy: -2131.615 where: short stacking energy: -946.832 Base-Backbone interact. energy: -5.732 local terms energy: -982.338024 where: bonds (distance) C4'-P energy: -184.020 bonds (distance) P-C4' energy: -187.347 flat angles C4'-P-C4' energy: -201.562 flat angles P-C4'-P energy: -136.306 tors. eta vs tors. theta energy: -273.104 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: 126 Temperature: 0.950000 Total energy: -2986.186384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.186384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.186384 (E_RNA) where: Base-Base interactions energy: -2053.587 where: short stacking energy: -872.170 Base-Backbone interact. energy: -3.614 local terms energy: -928.985089 where: bonds (distance) C4'-P energy: -175.279 bonds (distance) P-C4' energy: -170.093 flat angles C4'-P-C4' energy: -192.698 flat angles P-C4'-P energy: -137.050 tors. eta vs tors. theta energy: -253.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2752.832921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.832921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.832921 (E_RNA) where: Base-Base interactions energy: -1882.329 where: short stacking energy: -826.087 Base-Backbone interact. energy: -1.431 local terms energy: -869.072837 where: bonds (distance) C4'-P energy: -163.502 bonds (distance) P-C4' energy: -173.837 flat angles C4'-P-C4' energy: -200.197 flat angles P-C4'-P energy: -110.566 tors. eta vs tors. theta energy: -220.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2712.037763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.037763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.037763 (E_RNA) where: Base-Base interactions energy: -1853.389 where: short stacking energy: -797.156 Base-Backbone interact. energy: -0.983 local terms energy: -857.665755 where: bonds (distance) C4'-P energy: -175.243 bonds (distance) P-C4' energy: -164.640 flat angles C4'-P-C4' energy: -181.588 flat angles P-C4'-P energy: -109.963 tors. eta vs tors. theta energy: -226.231 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: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2443.117988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.117988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.117988 (E_RNA) where: Base-Base interactions energy: -1650.482 where: short stacking energy: -755.141 Base-Backbone interact. energy: -2.216 local terms energy: -790.419544 where: bonds (distance) C4'-P energy: -154.418 bonds (distance) P-C4' energy: -149.682 flat angles C4'-P-C4' energy: -184.087 flat angles P-C4'-P energy: -102.578 tors. eta vs tors. theta energy: -199.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2159.523126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.523126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.523126 (E_RNA) where: Base-Base interactions energy: -1413.414 where: short stacking energy: -640.828 Base-Backbone interact. energy: 7.419 local terms energy: -753.528737 where: bonds (distance) C4'-P energy: -158.237 bonds (distance) P-C4' energy: -145.826 flat angles C4'-P-C4' energy: -165.701 flat angles P-C4'-P energy: -102.167 tors. eta vs tors. theta energy: -181.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1747.721075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.721075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.721075 (E_RNA) where: Base-Base interactions energy: -1098.670 where: short stacking energy: -527.757 Base-Backbone interact. energy: -1.769 local terms energy: -647.282209 where: bonds (distance) C4'-P energy: -149.854 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -162.343 flat angles P-C4'-P energy: -89.413 tors. eta vs tors. theta energy: -97.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1683.245561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.245561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.245561 (E_RNA) where: Base-Base interactions energy: -1060.433 where: short stacking energy: -493.415 Base-Backbone interact. energy: 3.898 local terms energy: -626.710170 where: bonds (distance) C4'-P energy: -153.839 bonds (distance) P-C4' energy: -138.459 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -99.287 tors. eta vs tors. theta energy: -104.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1448.361400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.361400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.361400 (E_RNA) where: Base-Base interactions energy: -888.431 where: short stacking energy: -423.106 Base-Backbone interact. energy: 0.801 local terms energy: -560.731883 where: bonds (distance) C4'-P energy: -151.846 bonds (distance) P-C4' energy: -149.663 flat angles C4'-P-C4' energy: -128.218 flat angles P-C4'-P energy: -90.991 tors. eta vs tors. theta energy: -40.014 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: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -869.584532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.584532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.584532 (E_RNA) where: Base-Base interactions energy: -388.120 where: short stacking energy: -255.411 Base-Backbone interact. energy: 1.139 local terms energy: -482.603770 where: bonds (distance) C4'-P energy: -134.838 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -118.125 flat angles P-C4'-P energy: -98.841 tors. eta vs tors. theta energy: 14.586 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: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3152.471802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.471802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.471802 (E_RNA) where: Base-Base interactions energy: -2167.802 where: short stacking energy: -936.221 Base-Backbone interact. energy: -1.749 local terms energy: -982.921002 where: bonds (distance) C4'-P energy: -181.455 bonds (distance) P-C4' energy: -189.397 flat angles C4'-P-C4' energy: -212.224 flat angles P-C4'-P energy: -121.924 tors. eta vs tors. theta energy: -277.920 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: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2981.679225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.679225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.679225 (E_RNA) where: Base-Base interactions energy: -2063.877 where: short stacking energy: -874.415 Base-Backbone interact. energy: -1.247 local terms energy: -916.555037 where: bonds (distance) C4'-P energy: -160.904 bonds (distance) P-C4' energy: -174.841 flat angles C4'-P-C4' energy: -206.847 flat angles P-C4'-P energy: -123.401 tors. eta vs tors. theta energy: -250.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2789.486431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.486431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.486431 (E_RNA) where: Base-Base interactions energy: -1834.166 where: short stacking energy: -845.652 Base-Backbone interact. energy: -0.258 local terms energy: -955.062663 where: bonds (distance) C4'-P energy: -193.711 bonds (distance) P-C4' energy: -172.794 flat angles C4'-P-C4' energy: -207.439 flat angles P-C4'-P energy: -133.441 tors. eta vs tors. theta energy: -247.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2682.188923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.188923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.188923 (E_RNA) where: Base-Base interactions energy: -1816.458 where: short stacking energy: -781.502 Base-Backbone interact. energy: -6.709 local terms energy: -859.022065 where: bonds (distance) C4'-P energy: -181.025 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -177.610 flat angles P-C4'-P energy: -124.529 tors. eta vs tors. theta energy: -211.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2450.848719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.848719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.848719 (E_RNA) where: Base-Base interactions energy: -1654.956 where: short stacking energy: -729.419 Base-Backbone interact. energy: -2.199 local terms energy: -793.693539 where: bonds (distance) C4'-P energy: -160.317 bonds (distance) P-C4' energy: -157.405 flat angles C4'-P-C4' energy: -171.185 flat angles P-C4'-P energy: -119.205 tors. eta vs tors. theta energy: -185.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2280.867781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.867781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.867781 (E_RNA) where: Base-Base interactions energy: -1523.358 where: short stacking energy: -709.700 Base-Backbone interact. energy: -4.813 local terms energy: -752.696586 where: bonds (distance) C4'-P energy: -162.278 bonds (distance) P-C4' energy: -162.558 flat angles C4'-P-C4' energy: -168.672 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -178.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1774.690836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.690836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.690836 (E_RNA) where: Base-Base interactions energy: -1083.290 where: short stacking energy: -503.777 Base-Backbone interact. energy: -0.172 local terms energy: -691.229222 where: bonds (distance) C4'-P energy: -131.666 bonds (distance) P-C4' energy: -168.816 flat angles C4'-P-C4' energy: -158.842 flat angles P-C4'-P energy: -118.523 tors. eta vs tors. theta energy: -113.382 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: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1733.403210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.403210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.403210 (E_RNA) where: Base-Base interactions energy: -1060.114 where: short stacking energy: -519.787 Base-Backbone interact. energy: -2.244 local terms energy: -671.045556 where: bonds (distance) C4'-P energy: -162.767 bonds (distance) P-C4' energy: -163.525 flat angles C4'-P-C4' energy: -133.952 flat angles P-C4'-P energy: -90.053 tors. eta vs tors. theta energy: -120.748 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1347.431831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.431831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.431831 (E_RNA) where: Base-Base interactions energy: -822.379 where: short stacking energy: -399.794 Base-Backbone interact. energy: -0.842 local terms energy: -524.209912 where: bonds (distance) C4'-P energy: -131.213 bonds (distance) P-C4' energy: -147.296 flat angles C4'-P-C4' energy: -131.980 flat angles P-C4'-P energy: -74.551 tors. eta vs tors. theta energy: -39.169 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: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -852.926023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.926023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.926023 (E_RNA) where: Base-Base interactions energy: -397.696 where: short stacking energy: -237.606 Base-Backbone interact. energy: 4.747 local terms energy: -459.977010 where: bonds (distance) C4'-P energy: -132.562 bonds (distance) P-C4' energy: -159.721 flat angles C4'-P-C4' energy: -121.965 flat angles P-C4'-P energy: -67.447 tors. eta vs tors. theta energy: 21.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3186.376935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.376935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.376935 (E_RNA) where: Base-Base interactions energy: -2191.894 where: short stacking energy: -964.457 Base-Backbone interact. energy: -5.199 local terms energy: -989.284782 where: bonds (distance) C4'-P energy: -185.797 bonds (distance) P-C4' energy: -171.873 flat angles C4'-P-C4' energy: -213.514 flat angles P-C4'-P energy: -134.404 tors. eta vs tors. theta energy: -283.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2983.138309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.138309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.138309 (E_RNA) where: Base-Base interactions energy: -2054.061 where: short stacking energy: -862.518 Base-Backbone interact. energy: -1.487 local terms energy: -927.590067 where: bonds (distance) C4'-P energy: -173.452 bonds (distance) P-C4' energy: -186.418 flat angles C4'-P-C4' energy: -188.010 flat angles P-C4'-P energy: -134.474 tors. eta vs tors. theta energy: -245.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2840.393117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.393117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.393117 (E_RNA) where: Base-Base interactions energy: -1909.293 where: short stacking energy: -836.051 Base-Backbone interact. energy: -3.485 local terms energy: -927.615900 where: bonds (distance) C4'-P energy: -177.284 bonds (distance) P-C4' energy: -166.493 flat angles C4'-P-C4' energy: -195.388 flat angles P-C4'-P energy: -140.607 tors. eta vs tors. theta energy: -247.844 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: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2648.468183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.468183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.468183 (E_RNA) where: Base-Base interactions energy: -1793.890 where: short stacking energy: -813.503 Base-Backbone interact. energy: -5.409 local terms energy: -849.169910 where: bonds (distance) C4'-P energy: -159.059 bonds (distance) P-C4' energy: -157.917 flat angles C4'-P-C4' energy: -189.150 flat angles P-C4'-P energy: -118.035 tors. eta vs tors. theta energy: -225.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2409.489611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.489611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.489611 (E_RNA) where: Base-Base interactions energy: -1608.175 where: short stacking energy: -717.559 Base-Backbone interact. energy: -0.034 local terms energy: -801.280242 where: bonds (distance) C4'-P energy: -166.311 bonds (distance) P-C4' energy: -156.925 flat angles C4'-P-C4' energy: -181.978 flat angles P-C4'-P energy: -114.666 tors. eta vs tors. theta energy: -181.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2223.101199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.101199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.101199 (E_RNA) where: Base-Base interactions energy: -1445.454 where: short stacking energy: -668.407 Base-Backbone interact. energy: -7.058 local terms energy: -770.588905 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -157.091 flat angles C4'-P-C4' energy: -178.473 flat angles P-C4'-P energy: -109.849 tors. eta vs tors. theta energy: -170.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1820.558603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.558603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.558603 (E_RNA) where: Base-Base interactions energy: -1132.311 where: short stacking energy: -550.927 Base-Backbone interact. energy: -2.787 local terms energy: -685.460615 where: bonds (distance) C4'-P energy: -162.457 bonds (distance) P-C4' energy: -153.346 flat angles C4'-P-C4' energy: -168.864 flat angles P-C4'-P energy: -94.954 tors. eta vs tors. theta energy: -105.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1609.235516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.235516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.235516 (E_RNA) where: Base-Base interactions energy: -987.257 where: short stacking energy: -463.750 Base-Backbone interact. energy: 6.004 local terms energy: -627.981798 where: bonds (distance) C4'-P energy: -148.876 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -158.654 flat angles P-C4'-P energy: -96.335 tors. eta vs tors. theta energy: -79.294 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: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1285.957034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.957034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.957034 (E_RNA) where: Base-Base interactions energy: -754.608 where: short stacking energy: -395.923 Base-Backbone interact. energy: -1.134 local terms energy: -530.215463 where: bonds (distance) C4'-P energy: -123.938 bonds (distance) P-C4' energy: -163.682 flat angles C4'-P-C4' energy: -140.839 flat angles P-C4'-P energy: -67.717 tors. eta vs tors. theta energy: -34.040 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: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -874.428845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.428845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.428845 (E_RNA) where: Base-Base interactions energy: -421.487 where: short stacking energy: -286.863 Base-Backbone interact. energy: 4.353 local terms energy: -457.294596 where: bonds (distance) C4'-P energy: -172.683 bonds (distance) P-C4' energy: -140.735 flat angles C4'-P-C4' energy: -96.217 flat angles P-C4'-P energy: -78.631 tors. eta vs tors. theta energy: 30.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3202.607204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.607204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.607204 (E_RNA) where: Base-Base interactions energy: -2196.400 where: short stacking energy: -989.286 Base-Backbone interact. energy: -6.694 local terms energy: -999.513278 where: bonds (distance) C4'-P energy: -176.470 bonds (distance) P-C4' energy: -191.249 flat angles C4'-P-C4' energy: -199.430 flat angles P-C4'-P energy: -154.151 tors. eta vs tors. theta energy: -278.213 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: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -3015.803337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.803337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.803337 (E_RNA) where: Base-Base interactions energy: -2082.214 where: short stacking energy: -897.560 Base-Backbone interact. energy: -5.566 local terms energy: -928.024039 where: bonds (distance) C4'-P energy: -171.792 bonds (distance) P-C4' energy: -191.091 flat angles C4'-P-C4' energy: -185.974 flat angles P-C4'-P energy: -135.943 tors. eta vs tors. theta energy: -243.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2840.199801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.199801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.199801 (E_RNA) where: Base-Base interactions energy: -1924.150 where: short stacking energy: -865.611 Base-Backbone interact. energy: -5.153 local terms energy: -910.896856 where: bonds (distance) C4'-P energy: -195.978 bonds (distance) P-C4' energy: -184.995 flat angles C4'-P-C4' energy: -187.190 flat angles P-C4'-P energy: -123.579 tors. eta vs tors. theta energy: -219.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2612.654774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.654774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.654774 (E_RNA) where: Base-Base interactions energy: -1789.675 where: short stacking energy: -784.374 Base-Backbone interact. energy: -5.028 local terms energy: -817.951688 where: bonds (distance) C4'-P energy: -146.523 bonds (distance) P-C4' energy: -179.028 flat angles C4'-P-C4' energy: -177.419 flat angles P-C4'-P energy: -116.709 tors. eta vs tors. theta energy: -198.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2399.179685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.179685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.179685 (E_RNA) where: Base-Base interactions energy: -1614.956 where: short stacking energy: -724.522 Base-Backbone interact. energy: 3.606 local terms energy: -787.829445 where: bonds (distance) C4'-P energy: -143.948 bonds (distance) P-C4' energy: -169.274 flat angles C4'-P-C4' energy: -188.802 flat angles P-C4'-P energy: -89.038 tors. eta vs tors. theta energy: -196.767 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: 6, replica: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2186.374346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.374346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.374346 (E_RNA) where: Base-Base interactions energy: -1417.877 where: short stacking energy: -665.160 Base-Backbone interact. energy: -3.696 local terms energy: -764.801661 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -167.753 flat angles C4'-P-C4' energy: -162.542 flat angles P-C4'-P energy: -113.785 tors. eta vs tors. theta energy: -178.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1788.797530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.797530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.797530 (E_RNA) where: Base-Base interactions energy: -1131.931 where: short stacking energy: -557.890 Base-Backbone interact. energy: 0.749 local terms energy: -657.615449 where: bonds (distance) C4'-P energy: -154.582 bonds (distance) P-C4' energy: -140.183 flat angles C4'-P-C4' energy: -145.995 flat angles P-C4'-P energy: -105.192 tors. eta vs tors. theta energy: -111.664 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: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1584.336105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.336105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.336105 (E_RNA) where: Base-Base interactions energy: -1010.466 where: short stacking energy: -484.761 Base-Backbone interact. energy: -3.036 local terms energy: -570.834971 where: bonds (distance) C4'-P energy: -131.241 bonds (distance) P-C4' energy: -145.235 flat angles C4'-P-C4' energy: -140.326 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -84.771 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: 129 Temperature: 1.300000 Total energy: -1321.517541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.517541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.517541 (E_RNA) where: Base-Base interactions energy: -758.507 where: short stacking energy: -400.642 Base-Backbone interact. energy: -1.534 local terms energy: -561.476124 where: bonds (distance) C4'-P energy: -141.230 bonds (distance) P-C4' energy: -152.095 flat angles C4'-P-C4' energy: -147.197 flat angles P-C4'-P energy: -81.920 tors. eta vs tors. theta energy: -39.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -883.137620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.137620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.137620 (E_RNA) where: Base-Base interactions energy: -411.303 where: short stacking energy: -279.885 Base-Backbone interact. energy: 5.720 local terms energy: -477.554295 where: bonds (distance) C4'-P energy: -147.948 bonds (distance) P-C4' energy: -144.686 flat angles C4'-P-C4' energy: -127.961 flat angles P-C4'-P energy: -77.717 tors. eta vs tors. theta energy: 20.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3131.164458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.164458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.164458 (E_RNA) where: Base-Base interactions energy: -2142.999 where: short stacking energy: -963.358 Base-Backbone interact. energy: -5.040 local terms energy: -983.124752 where: bonds (distance) C4'-P energy: -178.291 bonds (distance) P-C4' energy: -192.866 flat angles C4'-P-C4' energy: -204.457 flat angles P-C4'-P energy: -137.766 tors. eta vs tors. theta energy: -269.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -3016.965304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.965304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.965304 (E_RNA) where: Base-Base interactions energy: -2095.544 where: short stacking energy: -908.174 Base-Backbone interact. energy: -4.394 local terms energy: -917.027520 where: bonds (distance) C4'-P energy: -179.762 bonds (distance) P-C4' energy: -166.151 flat angles C4'-P-C4' energy: -200.067 flat angles P-C4'-P energy: -126.468 tors. eta vs tors. theta energy: -244.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2868.030979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.030979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.030979 (E_RNA) where: Base-Base interactions energy: -1957.636 where: short stacking energy: -861.629 Base-Backbone interact. energy: -3.449 local terms energy: -906.946359 where: bonds (distance) C4'-P energy: -156.825 bonds (distance) P-C4' energy: -175.699 flat angles C4'-P-C4' energy: -194.538 flat angles P-C4'-P energy: -120.520 tors. eta vs tors. theta energy: -259.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2613.931061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.931061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.931061 (E_RNA) where: Base-Base interactions energy: -1768.951 where: short stacking energy: -773.766 Base-Backbone interact. energy: -5.003 local terms energy: -839.977111 where: bonds (distance) C4'-P energy: -139.451 bonds (distance) P-C4' energy: -170.043 flat angles C4'-P-C4' energy: -200.444 flat angles P-C4'-P energy: -124.475 tors. eta vs tors. theta energy: -205.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2333.710771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.710771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.710771 (E_RNA) where: Base-Base interactions energy: -1530.517 where: short stacking energy: -710.811 Base-Backbone interact. energy: -1.886 local terms energy: -801.308090 where: bonds (distance) C4'-P energy: -154.453 bonds (distance) P-C4' energy: -160.519 flat angles C4'-P-C4' energy: -182.214 flat angles P-C4'-P energy: -115.564 tors. eta vs tors. theta energy: -188.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2168.782040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.782040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.782040 (E_RNA) where: Base-Base interactions energy: -1408.306 where: short stacking energy: -647.003 Base-Backbone interact. energy: 6.850 local terms energy: -767.325619 where: bonds (distance) C4'-P energy: -155.604 bonds (distance) P-C4' energy: -184.749 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -95.870 tors. eta vs tors. theta energy: -158.532 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: 130 Temperature: 1.200000 Total energy: -1809.136286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.136286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.136286 (E_RNA) where: Base-Base interactions energy: -1186.354 where: short stacking energy: -562.846 Base-Backbone interact. energy: -0.620 local terms energy: -622.162089 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -140.272 flat angles C4'-P-C4' energy: -149.832 flat angles P-C4'-P energy: -87.298 tors. eta vs tors. theta energy: -107.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1596.679186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.679186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.679186 (E_RNA) where: Base-Base interactions energy: -977.066 where: short stacking energy: -443.404 Base-Backbone interact. energy: -1.609 local terms energy: -618.004004 where: bonds (distance) C4'-P energy: -159.062 bonds (distance) P-C4' energy: -152.595 flat angles C4'-P-C4' energy: -140.332 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -81.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1222.852718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.852718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.852718 (E_RNA) where: Base-Base interactions energy: -679.090 where: short stacking energy: -347.191 Base-Backbone interact. energy: 0.911 local terms energy: -544.673867 where: bonds (distance) C4'-P energy: -151.810 bonds (distance) P-C4' energy: -143.863 flat angles C4'-P-C4' energy: -137.320 flat angles P-C4'-P energy: -76.577 tors. eta vs tors. theta energy: -35.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -894.081212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.081212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.081212 (E_RNA) where: Base-Base interactions energy: -405.354 where: short stacking energy: -236.623 Base-Backbone interact. energy: 1.811 local terms energy: -490.538182 where: bonds (distance) C4'-P energy: -145.184 bonds (distance) P-C4' energy: -168.221 flat angles C4'-P-C4' energy: -114.137 flat angles P-C4'-P energy: -91.442 tors. eta vs tors. theta energy: 28.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3183.881588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.881588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.881588 (E_RNA) where: Base-Base interactions energy: -2164.499 where: short stacking energy: -969.725 Base-Backbone interact. energy: -5.208 local terms energy: -1014.174071 where: bonds (distance) C4'-P energy: -189.196 bonds (distance) P-C4' energy: -176.920 flat angles C4'-P-C4' energy: -220.084 flat angles P-C4'-P energy: -137.545 tors. eta vs tors. theta energy: -290.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -3004.734616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.734616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.734616 (E_RNA) where: Base-Base interactions energy: -2077.639 where: short stacking energy: -917.442 Base-Backbone interact. energy: -5.951 local terms energy: -921.144939 where: bonds (distance) C4'-P energy: -186.769 bonds (distance) P-C4' energy: -167.149 flat angles C4'-P-C4' energy: -194.834 flat angles P-C4'-P energy: -129.640 tors. eta vs tors. theta energy: -242.753 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: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2890.189338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.189338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.189338 (E_RNA) where: Base-Base interactions energy: -1965.645 where: short stacking energy: -870.843 Base-Backbone interact. energy: -5.525 local terms energy: -919.019211 where: bonds (distance) C4'-P energy: -192.238 bonds (distance) P-C4' energy: -161.922 flat angles C4'-P-C4' energy: -186.034 flat angles P-C4'-P energy: -126.192 tors. eta vs tors. theta energy: -252.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2696.982227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.982227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.982227 (E_RNA) where: Base-Base interactions energy: -1850.909 where: short stacking energy: -811.901 Base-Backbone interact. energy: -3.977 local terms energy: -842.096315 where: bonds (distance) C4'-P energy: -178.276 bonds (distance) P-C4' energy: -159.069 flat angles C4'-P-C4' energy: -181.761 flat angles P-C4'-P energy: -109.617 tors. eta vs tors. theta energy: -213.374 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2366.546122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.546122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.546122 (E_RNA) where: Base-Base interactions energy: -1556.752 where: short stacking energy: -701.156 Base-Backbone interact. energy: -1.377 local terms energy: -808.417543 where: bonds (distance) C4'-P energy: -172.691 bonds (distance) P-C4' energy: -171.303 flat angles C4'-P-C4' energy: -171.424 flat angles P-C4'-P energy: -118.605 tors. eta vs tors. theta energy: -174.393 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: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2199.352364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.352364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.352364 (E_RNA) where: Base-Base interactions energy: -1417.740 where: short stacking energy: -659.573 Base-Backbone interact. energy: 0.779 local terms energy: -782.391292 where: bonds (distance) C4'-P energy: -153.103 bonds (distance) P-C4' energy: -175.296 flat angles C4'-P-C4' energy: -175.112 flat angles P-C4'-P energy: -110.270 tors. eta vs tors. theta energy: -168.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1796.391909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.391909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.391909 (E_RNA) where: Base-Base interactions energy: -1136.516 where: short stacking energy: -557.222 Base-Backbone interact. energy: -4.385 local terms energy: -655.491507 where: bonds (distance) C4'-P energy: -129.139 bonds (distance) P-C4' energy: -160.297 flat angles C4'-P-C4' energy: -154.409 flat angles P-C4'-P energy: -95.337 tors. eta vs tors. theta energy: -116.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1539.937677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.937677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.937677 (E_RNA) where: Base-Base interactions energy: -951.132 where: short stacking energy: -491.808 Base-Backbone interact. energy: 1.111 local terms energy: -589.916710 where: bonds (distance) C4'-P energy: -141.413 bonds (distance) P-C4' energy: -150.979 flat angles C4'-P-C4' energy: -133.232 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -78.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1311.327962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.327962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.327962 (E_RNA) where: Base-Base interactions energy: -771.731 where: short stacking energy: -392.445 Base-Backbone interact. energy: 3.685 local terms energy: -543.282214 where: bonds (distance) C4'-P energy: -132.164 bonds (distance) P-C4' energy: -153.349 flat angles C4'-P-C4' energy: -133.838 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -38.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -898.575191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.575191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.575191 (E_RNA) where: Base-Base interactions energy: -420.165 where: short stacking energy: -248.226 Base-Backbone interact. energy: -2.096 local terms energy: -476.314845 where: bonds (distance) C4'-P energy: -143.523 bonds (distance) P-C4' energy: -147.641 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -75.019 tors. eta vs tors. theta energy: 16.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3158.418586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.418586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.418586 (E_RNA) where: Base-Base interactions energy: -2152.403 where: short stacking energy: -962.058 Base-Backbone interact. energy: -0.306 local terms energy: -1005.709237 where: bonds (distance) C4'-P energy: -184.427 bonds (distance) P-C4' energy: -191.805 flat angles C4'-P-C4' energy: -211.715 flat angles P-C4'-P energy: -147.259 tors. eta vs tors. theta energy: -270.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2966.776753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.776753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.776753 (E_RNA) where: Base-Base interactions energy: -2073.801 where: short stacking energy: -885.312 Base-Backbone interact. energy: -4.116 local terms energy: -888.860021 where: bonds (distance) C4'-P energy: -170.519 bonds (distance) P-C4' energy: -167.453 flat angles C4'-P-C4' energy: -191.174 flat angles P-C4'-P energy: -118.089 tors. eta vs tors. theta energy: -241.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2946.985189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.985189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.985189 (E_RNA) where: Base-Base interactions energy: -1985.724 where: short stacking energy: -878.578 Base-Backbone interact. energy: -4.683 local terms energy: -956.577800 where: bonds (distance) C4'-P energy: -182.693 bonds (distance) P-C4' energy: -188.161 flat angles C4'-P-C4' energy: -200.257 flat angles P-C4'-P energy: -129.081 tors. eta vs tors. theta energy: -256.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2736.155230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.155230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.155230 (E_RNA) where: Base-Base interactions energy: -1853.167 where: short stacking energy: -825.451 Base-Backbone interact. energy: -7.478 local terms energy: -875.510506 where: bonds (distance) C4'-P energy: -171.705 bonds (distance) P-C4' energy: -168.181 flat angles C4'-P-C4' energy: -189.047 flat angles P-C4'-P energy: -128.345 tors. eta vs tors. theta energy: -218.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2379.539194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.539194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.539194 (E_RNA) where: Base-Base interactions energy: -1576.289 where: short stacking energy: -753.215 Base-Backbone interact. energy: -2.189 local terms energy: -801.060513 where: bonds (distance) C4'-P energy: -157.033 bonds (distance) P-C4' energy: -147.890 flat angles C4'-P-C4' energy: -190.524 flat angles P-C4'-P energy: -111.641 tors. eta vs tors. theta energy: -193.972 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: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2168.208917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.208917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.208917 (E_RNA) where: Base-Base interactions energy: -1418.363 where: short stacking energy: -671.821 Base-Backbone interact. energy: -2.135 local terms energy: -747.710791 where: bonds (distance) C4'-P energy: -146.953 bonds (distance) P-C4' energy: -153.324 flat angles C4'-P-C4' energy: -184.829 flat angles P-C4'-P energy: -100.923 tors. eta vs tors. theta energy: -161.680 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: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1809.622317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.622317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.622317 (E_RNA) where: Base-Base interactions energy: -1134.312 where: short stacking energy: -536.580 Base-Backbone interact. energy: -1.999 local terms energy: -673.310481 where: bonds (distance) C4'-P energy: -171.602 bonds (distance) P-C4' energy: -157.475 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -98.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1577.296862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.296862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.296862 (E_RNA) where: Base-Base interactions energy: -980.995 where: short stacking energy: -494.204 Base-Backbone interact. energy: -3.254 local terms energy: -593.048567 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -167.420 flat angles C4'-P-C4' energy: -135.452 flat angles P-C4'-P energy: -88.348 tors. eta vs tors. theta energy: -62.203 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: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1386.249414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.249414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.249414 (E_RNA) where: Base-Base interactions energy: -820.008 where: short stacking energy: -406.057 Base-Backbone interact. energy: 2.108 local terms energy: -568.349493 where: bonds (distance) C4'-P energy: -129.742 bonds (distance) P-C4' energy: -169.803 flat angles C4'-P-C4' energy: -152.967 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -55.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -884.864448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.864448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.864448 (E_RNA) where: Base-Base interactions energy: -437.104 where: short stacking energy: -238.262 Base-Backbone interact. energy: -0.948 local terms energy: -446.812509 where: bonds (distance) C4'-P energy: -147.803 bonds (distance) P-C4' energy: -137.080 flat angles C4'-P-C4' energy: -115.601 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: 16.743 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: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3178.428935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.428935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.428935 (E_RNA) where: Base-Base interactions energy: -2149.725 where: short stacking energy: -947.538 Base-Backbone interact. energy: -4.298 local terms energy: -1024.405265 where: bonds (distance) C4'-P energy: -190.286 bonds (distance) P-C4' energy: -198.102 flat angles C4'-P-C4' energy: -207.072 flat angles P-C4'-P energy: -150.798 tors. eta vs tors. theta energy: -278.147 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: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2975.109654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.109654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.109654 (E_RNA) where: Base-Base interactions energy: -2053.535 where: short stacking energy: -858.203 Base-Backbone interact. energy: -6.372 local terms energy: -915.202947 where: bonds (distance) C4'-P energy: -168.630 bonds (distance) P-C4' energy: -162.103 flat angles C4'-P-C4' energy: -204.408 flat angles P-C4'-P energy: -137.599 tors. eta vs tors. theta energy: -242.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2889.541180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.541180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.541180 (E_RNA) where: Base-Base interactions energy: -1977.221 where: short stacking energy: -881.607 Base-Backbone interact. energy: -5.519 local terms energy: -906.801027 where: bonds (distance) C4'-P energy: -169.851 bonds (distance) P-C4' energy: -152.239 flat angles C4'-P-C4' energy: -187.200 flat angles P-C4'-P energy: -133.271 tors. eta vs tors. theta energy: -264.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2703.577784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.577784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.577784 (E_RNA) where: Base-Base interactions energy: -1817.420 where: short stacking energy: -826.611 Base-Backbone interact. energy: -2.142 local terms energy: -884.016079 where: bonds (distance) C4'-P energy: -168.613 bonds (distance) P-C4' energy: -168.698 flat angles C4'-P-C4' energy: -194.864 flat angles P-C4'-P energy: -130.780 tors. eta vs tors. theta energy: -221.062 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: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2442.499527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.499527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.499527 (E_RNA) where: Base-Base interactions energy: -1616.980 where: short stacking energy: -750.858 Base-Backbone interact. energy: -1.342 local terms energy: -824.177575 where: bonds (distance) C4'-P energy: -167.630 bonds (distance) P-C4' energy: -160.265 flat angles C4'-P-C4' energy: -185.881 flat angles P-C4'-P energy: -105.569 tors. eta vs tors. theta energy: -204.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2229.812446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.812446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.812446 (E_RNA) where: Base-Base interactions energy: -1441.716 where: short stacking energy: -660.704 Base-Backbone interact. energy: -1.820 local terms energy: -786.276465 where: bonds (distance) C4'-P energy: -143.712 bonds (distance) P-C4' energy: -184.380 flat angles C4'-P-C4' energy: -176.091 flat angles P-C4'-P energy: -121.919 tors. eta vs tors. theta energy: -160.175 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: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1745.325349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.325349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.325349 (E_RNA) where: Base-Base interactions energy: -1085.050 where: short stacking energy: -480.955 Base-Backbone interact. energy: 2.178 local terms energy: -662.452847 where: bonds (distance) C4'-P energy: -151.748 bonds (distance) P-C4' energy: -177.635 flat angles C4'-P-C4' energy: -154.973 flat angles P-C4'-P energy: -85.742 tors. eta vs tors. theta energy: -92.354 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: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1645.319146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.319146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.319146 (E_RNA) where: Base-Base interactions energy: -999.495 where: short stacking energy: -470.053 Base-Backbone interact. energy: 6.708 local terms energy: -652.532462 where: bonds (distance) C4'-P energy: -139.907 bonds (distance) P-C4' energy: -177.097 flat angles C4'-P-C4' energy: -159.705 flat angles P-C4'-P energy: -89.170 tors. eta vs tors. theta energy: -86.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1319.386223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.386223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.386223 (E_RNA) where: Base-Base interactions energy: -725.710 where: short stacking energy: -363.881 Base-Backbone interact. energy: -0.074 local terms energy: -593.602179 where: bonds (distance) C4'-P energy: -148.687 bonds (distance) P-C4' energy: -164.715 flat angles C4'-P-C4' energy: -146.952 flat angles P-C4'-P energy: -91.689 tors. eta vs tors. theta energy: -41.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -885.830463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.830463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.830463 (E_RNA) where: Base-Base interactions energy: -391.898 where: short stacking energy: -237.860 Base-Backbone interact. energy: 6.051 local terms energy: -499.983528 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -164.241 flat angles C4'-P-C4' energy: -149.198 flat angles P-C4'-P energy: -75.223 tors. eta vs tors. theta energy: 18.428 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: 134 Temperature: 0.900000 Total energy: -3152.606525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.606525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.606525 (E_RNA) where: Base-Base interactions energy: -2164.493 where: short stacking energy: -935.321 Base-Backbone interact. energy: -1.957 local terms energy: -986.156853 where: bonds (distance) C4'-P energy: -184.495 bonds (distance) P-C4' energy: -179.205 flat angles C4'-P-C4' energy: -198.973 flat angles P-C4'-P energy: -148.551 tors. eta vs tors. theta energy: -274.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -3028.566185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.566185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.566185 (E_RNA) where: Base-Base interactions energy: -2083.516 where: short stacking energy: -866.257 Base-Backbone interact. energy: -5.780 local terms energy: -939.270455 where: bonds (distance) C4'-P energy: -158.920 bonds (distance) P-C4' energy: -195.369 flat angles C4'-P-C4' energy: -206.429 flat angles P-C4'-P energy: -125.091 tors. eta vs tors. theta energy: -253.460 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: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2912.007408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.007408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.007408 (E_RNA) where: Base-Base interactions energy: -2008.998 where: short stacking energy: -871.518 Base-Backbone interact. energy: -4.830 local terms energy: -898.179068 where: bonds (distance) C4'-P energy: -154.009 bonds (distance) P-C4' energy: -168.050 flat angles C4'-P-C4' energy: -200.248 flat angles P-C4'-P energy: -118.760 tors. eta vs tors. theta energy: -257.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2639.510502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.510502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.510502 (E_RNA) where: Base-Base interactions energy: -1785.691 where: short stacking energy: -769.758 Base-Backbone interact. energy: -5.905 local terms energy: -847.914358 where: bonds (distance) C4'-P energy: -168.850 bonds (distance) P-C4' energy: -175.130 flat angles C4'-P-C4' energy: -181.446 flat angles P-C4'-P energy: -120.238 tors. eta vs tors. theta energy: -202.250 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: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2494.066890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.066890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.066890 (E_RNA) where: Base-Base interactions energy: -1681.158 where: short stacking energy: -753.882 Base-Backbone interact. energy: -4.962 local terms energy: -807.947090 where: bonds (distance) C4'-P energy: -159.614 bonds (distance) P-C4' energy: -165.760 flat angles C4'-P-C4' energy: -188.723 flat angles P-C4'-P energy: -95.815 tors. eta vs tors. theta energy: -198.034 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: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2218.973261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.973261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.973261 (E_RNA) where: Base-Base interactions energy: -1448.072 where: short stacking energy: -680.165 Base-Backbone interact. energy: -1.064 local terms energy: -769.837840 where: bonds (distance) C4'-P energy: -156.064 bonds (distance) P-C4' energy: -146.195 flat angles C4'-P-C4' energy: -179.396 flat angles P-C4'-P energy: -111.941 tors. eta vs tors. theta energy: -176.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1834.185140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.185140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.185140 (E_RNA) where: Base-Base interactions energy: -1171.239 where: short stacking energy: -557.969 Base-Backbone interact. energy: 0.755 local terms energy: -663.701946 where: bonds (distance) C4'-P energy: -156.201 bonds (distance) P-C4' energy: -164.347 flat angles C4'-P-C4' energy: -150.624 flat angles P-C4'-P energy: -103.932 tors. eta vs tors. theta energy: -88.599 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: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1548.031653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.031653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.031653 (E_RNA) where: Base-Base interactions energy: -935.513 where: short stacking energy: -430.133 Base-Backbone interact. energy: -5.507 local terms energy: -607.011798 where: bonds (distance) C4'-P energy: -164.012 bonds (distance) P-C4' energy: -141.749 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -57.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1329.620723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.620723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.620723 (E_RNA) where: Base-Base interactions energy: -781.553 where: short stacking energy: -387.790 Base-Backbone interact. energy: 5.700 local terms energy: -553.768046 where: bonds (distance) C4'-P energy: -148.561 bonds (distance) P-C4' energy: -146.116 flat angles C4'-P-C4' energy: -140.835 flat angles P-C4'-P energy: -88.234 tors. eta vs tors. theta energy: -30.022 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: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -850.971590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.971590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.971590 (E_RNA) where: Base-Base interactions energy: -395.243 where: short stacking energy: -260.674 Base-Backbone interact. energy: -2.224 local terms energy: -453.505156 where: bonds (distance) C4'-P energy: -131.126 bonds (distance) P-C4' energy: -150.785 flat angles C4'-P-C4' energy: -126.066 flat angles P-C4'-P energy: -62.224 tors. eta vs tors. theta energy: 16.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3170.969954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.969954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.969954 (E_RNA) where: Base-Base interactions energy: -2176.456 where: short stacking energy: -976.990 Base-Backbone interact. energy: -4.743 local terms energy: -989.770876 where: bonds (distance) C4'-P energy: -174.784 bonds (distance) P-C4' energy: -185.461 flat angles C4'-P-C4' energy: -215.897 flat angles P-C4'-P energy: -138.996 tors. eta vs tors. theta energy: -274.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -3002.392714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.392714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.392714 (E_RNA) where: Base-Base interactions energy: -2083.494 where: short stacking energy: -879.676 Base-Backbone interact. energy: -3.876 local terms energy: -915.022662 where: bonds (distance) C4'-P energy: -169.761 bonds (distance) P-C4' energy: -179.730 flat angles C4'-P-C4' energy: -201.121 flat angles P-C4'-P energy: -125.072 tors. eta vs tors. theta energy: -239.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2849.779525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.779525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.779525 (E_RNA) where: Base-Base interactions energy: -1970.981 where: short stacking energy: -851.499 Base-Backbone interact. energy: -5.158 local terms energy: -873.640817 where: bonds (distance) C4'-P energy: -153.663 bonds (distance) P-C4' energy: -187.116 flat angles C4'-P-C4' energy: -175.627 flat angles P-C4'-P energy: -119.964 tors. eta vs tors. theta energy: -237.271 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: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2593.794368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.794368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.794368 (E_RNA) where: Base-Base interactions energy: -1726.797 where: short stacking energy: -743.001 Base-Backbone interact. energy: -1.043 local terms energy: -865.954516 where: bonds (distance) C4'-P energy: -169.928 bonds (distance) P-C4' energy: -186.476 flat angles C4'-P-C4' energy: -197.185 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -194.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2419.023481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.023481 (E_RNA) where: Base-Base interactions energy: -1606.111 where: short stacking energy: -744.751 Base-Backbone interact. energy: -1.888 local terms energy: -811.025099 where: bonds (distance) C4'-P energy: -164.501 bonds (distance) P-C4' energy: -160.834 flat angles C4'-P-C4' energy: -186.313 flat angles P-C4'-P energy: -101.605 tors. eta vs tors. theta energy: -197.773 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: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2241.243970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.243970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.243970 (E_RNA) where: Base-Base interactions energy: -1475.390 where: short stacking energy: -650.835 Base-Backbone interact. energy: 0.787 local terms energy: -766.641169 where: bonds (distance) C4'-P energy: -147.722 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -160.276 flat angles P-C4'-P energy: -118.583 tors. eta vs tors. theta energy: -176.422 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: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1946.107853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.107853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.107853 (E_RNA) where: Base-Base interactions energy: -1253.834 where: short stacking energy: -571.027 Base-Backbone interact. energy: 0.243 local terms energy: -692.517402 where: bonds (distance) C4'-P energy: -152.642 bonds (distance) P-C4' energy: -169.573 flat angles C4'-P-C4' energy: -179.120 flat angles P-C4'-P energy: -75.524 tors. eta vs tors. theta energy: -115.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1559.001909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.001909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.001909 (E_RNA) where: Base-Base interactions energy: -944.033 where: short stacking energy: -453.923 Base-Backbone interact. energy: -1.534 local terms energy: -613.434689 where: bonds (distance) C4'-P energy: -116.674 bonds (distance) P-C4' energy: -158.531 flat angles C4'-P-C4' energy: -151.859 flat angles P-C4'-P energy: -89.926 tors. eta vs tors. theta energy: -96.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1284.757110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.757110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.757110 (E_RNA) where: Base-Base interactions energy: -793.532 where: short stacking energy: -413.737 Base-Backbone interact. energy: -2.347 local terms energy: -488.878167 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -117.312 flat angles C4'-P-C4' energy: -133.600 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -18.877 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: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -899.958834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.958834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.958834 (E_RNA) where: Base-Base interactions energy: -401.566 where: short stacking energy: -242.173 Base-Backbone interact. energy: 8.991 local terms energy: -507.383461 where: bonds (distance) C4'-P energy: -161.137 bonds (distance) P-C4' energy: -145.448 flat angles C4'-P-C4' energy: -127.585 flat angles P-C4'-P energy: -97.179 tors. eta vs tors. theta energy: 23.966 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: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3195.028062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.028062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.028062 (E_RNA) where: Base-Base interactions energy: -2209.579 where: short stacking energy: -970.403 Base-Backbone interact. energy: -3.529 local terms energy: -981.919994 where: bonds (distance) C4'-P energy: -166.527 bonds (distance) P-C4' energy: -182.373 flat angles C4'-P-C4' energy: -216.832 flat angles P-C4'-P energy: -145.751 tors. eta vs tors. theta energy: -270.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -3020.803464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.803464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.803464 (E_RNA) where: Base-Base interactions energy: -2050.320 where: short stacking energy: -882.280 Base-Backbone interact. energy: -6.096 local terms energy: -964.387314 where: bonds (distance) C4'-P energy: -174.750 bonds (distance) P-C4' energy: -177.676 flat angles C4'-P-C4' energy: -215.230 flat angles P-C4'-P energy: -136.035 tors. eta vs tors. theta energy: -260.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2877.190808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.190808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.190808 (E_RNA) where: Base-Base interactions energy: -1929.304 where: short stacking energy: -835.622 Base-Backbone interact. energy: -1.421 local terms energy: -946.465720 where: bonds (distance) C4'-P energy: -169.159 bonds (distance) P-C4' energy: -192.164 flat angles C4'-P-C4' energy: -191.362 flat angles P-C4'-P energy: -151.752 tors. eta vs tors. theta energy: -242.029 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: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2599.664040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.664040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.664040 (E_RNA) where: Base-Base interactions energy: -1737.126 where: short stacking energy: -743.102 Base-Backbone interact. energy: 0.114 local terms energy: -862.652688 where: bonds (distance) C4'-P energy: -184.217 bonds (distance) P-C4' energy: -174.060 flat angles C4'-P-C4' energy: -188.707 flat angles P-C4'-P energy: -128.813 tors. eta vs tors. theta energy: -186.855 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: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2410.331127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.331127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.331127 (E_RNA) where: Base-Base interactions energy: -1604.662 where: short stacking energy: -717.162 Base-Backbone interact. energy: -1.996 local terms energy: -803.673370 where: bonds (distance) C4'-P energy: -160.522 bonds (distance) P-C4' energy: -154.836 flat angles C4'-P-C4' energy: -177.606 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -196.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2156.693844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.693844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.693844 (E_RNA) where: Base-Base interactions energy: -1377.522 where: short stacking energy: -647.317 Base-Backbone interact. energy: -1.848 local terms energy: -777.323425 where: bonds (distance) C4'-P energy: -160.907 bonds (distance) P-C4' energy: -162.937 flat angles C4'-P-C4' energy: -170.079 flat angles P-C4'-P energy: -116.420 tors. eta vs tors. theta energy: -166.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1957.535018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.535018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.535018 (E_RNA) where: Base-Base interactions energy: -1278.962 where: short stacking energy: -574.848 Base-Backbone interact. energy: 0.545 local terms energy: -679.118516 where: bonds (distance) C4'-P energy: -134.284 bonds (distance) P-C4' energy: -165.176 flat angles C4'-P-C4' energy: -157.588 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -127.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1528.988392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.988392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.988392 (E_RNA) where: Base-Base interactions energy: -925.951 where: short stacking energy: -441.937 Base-Backbone interact. energy: -2.681 local terms energy: -600.355877 where: bonds (distance) C4'-P energy: -152.113 bonds (distance) P-C4' energy: -161.252 flat angles C4'-P-C4' energy: -144.653 flat angles P-C4'-P energy: -80.816 tors. eta vs tors. theta energy: -61.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1315.436385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.436385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.436385 (E_RNA) where: Base-Base interactions energy: -718.657 where: short stacking energy: -351.429 Base-Backbone interact. energy: -1.953 local terms energy: -594.826600 where: bonds (distance) C4'-P energy: -169.643 bonds (distance) P-C4' energy: -152.721 flat angles C4'-P-C4' energy: -151.083 flat angles P-C4'-P energy: -92.291 tors. eta vs tors. theta energy: -29.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -869.564257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.564257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.564257 (E_RNA) where: Base-Base interactions energy: -392.752 where: short stacking energy: -258.003 Base-Backbone interact. energy: -4.528 local terms energy: -472.283619 where: bonds (distance) C4'-P energy: -130.567 bonds (distance) P-C4' energy: -141.319 flat angles C4'-P-C4' energy: -130.197 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: 1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3180.491913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.491913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.491913 (E_RNA) where: Base-Base interactions energy: -2180.729 where: short stacking energy: -954.644 Base-Backbone interact. energy: -6.683 local terms energy: -993.080283 where: bonds (distance) C4'-P energy: -189.773 bonds (distance) P-C4' energy: -195.314 flat angles C4'-P-C4' energy: -205.488 flat angles P-C4'-P energy: -137.777 tors. eta vs tors. theta energy: -264.729 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: 137 Temperature: 0.950000 Total energy: -2991.183189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.183189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.183189 (E_RNA) where: Base-Base interactions energy: -2043.090 where: short stacking energy: -883.832 Base-Backbone interact. energy: -0.510 local terms energy: -947.582700 where: bonds (distance) C4'-P energy: -186.567 bonds (distance) P-C4' energy: -180.892 flat angles C4'-P-C4' energy: -198.060 flat angles P-C4'-P energy: -131.139 tors. eta vs tors. theta energy: -250.925 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: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2873.726800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.726800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.726800 (E_RNA) where: Base-Base interactions energy: -1980.799 where: short stacking energy: -843.413 Base-Backbone interact. energy: -0.934 local terms energy: -891.993487 where: bonds (distance) C4'-P energy: -171.662 bonds (distance) P-C4' energy: -163.587 flat angles C4'-P-C4' energy: -199.384 flat angles P-C4'-P energy: -122.948 tors. eta vs tors. theta energy: -234.413 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: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2585.852159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.852159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.852159 (E_RNA) where: Base-Base interactions energy: -1750.901 where: short stacking energy: -784.645 Base-Backbone interact. energy: -2.164 local terms energy: -832.787308 where: bonds (distance) C4'-P energy: -160.798 bonds (distance) P-C4' energy: -178.367 flat angles C4'-P-C4' energy: -174.576 flat angles P-C4'-P energy: -123.412 tors. eta vs tors. theta energy: -195.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2401.543288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.543288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.543288 (E_RNA) where: Base-Base interactions energy: -1605.735 where: short stacking energy: -740.886 Base-Backbone interact. energy: -3.524 local terms energy: -792.284385 where: bonds (distance) C4'-P energy: -158.085 bonds (distance) P-C4' energy: -161.865 flat angles C4'-P-C4' energy: -177.921 flat angles P-C4'-P energy: -121.274 tors. eta vs tors. theta energy: -173.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2175.840645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.840645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.840645 (E_RNA) where: Base-Base interactions energy: -1407.028 where: short stacking energy: -662.424 Base-Backbone interact. energy: -3.266 local terms energy: -765.546541 where: bonds (distance) C4'-P energy: -151.306 bonds (distance) P-C4' energy: -163.782 flat angles C4'-P-C4' energy: -171.193 flat angles P-C4'-P energy: -110.465 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: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1922.908245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.908245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.908245 (E_RNA) where: Base-Base interactions energy: -1231.090 where: short stacking energy: -542.768 Base-Backbone interact. energy: -0.278 local terms energy: -691.539874 where: bonds (distance) C4'-P energy: -164.929 bonds (distance) P-C4' energy: -157.615 flat angles C4'-P-C4' energy: -135.136 flat angles P-C4'-P energy: -121.368 tors. eta vs tors. theta energy: -112.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1431.244892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.244892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.244892 (E_RNA) where: Base-Base interactions energy: -821.795 where: short stacking energy: -430.529 Base-Backbone interact. energy: -5.873 local terms energy: -603.577361 where: bonds (distance) C4'-P energy: -164.506 bonds (distance) P-C4' energy: -150.373 flat angles C4'-P-C4' energy: -144.726 flat angles P-C4'-P energy: -96.909 tors. eta vs tors. theta energy: -47.063 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: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1285.458223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.458223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.458223 (E_RNA) where: Base-Base interactions energy: -741.440 where: short stacking energy: -384.208 Base-Backbone interact. energy: 1.776 local terms energy: -545.794881 where: bonds (distance) C4'-P energy: -137.131 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -152.895 flat angles P-C4'-P energy: -75.539 tors. eta vs tors. theta energy: -29.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -886.932713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.932713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.932713 (E_RNA) where: Base-Base interactions energy: -412.974 where: short stacking energy: -282.021 Base-Backbone interact. energy: -1.746 local terms energy: -472.212840 where: bonds (distance) C4'-P energy: -141.053 bonds (distance) P-C4' energy: -162.336 flat angles C4'-P-C4' energy: -114.995 flat angles P-C4'-P energy: -65.536 tors. eta vs tors. theta energy: 11.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3155.731296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.731296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.731296 (E_RNA) where: Base-Base interactions energy: -2160.836 where: short stacking energy: -916.159 Base-Backbone interact. energy: -7.655 local terms energy: -987.240066 where: bonds (distance) C4'-P energy: -187.734 bonds (distance) P-C4' energy: -188.754 flat angles C4'-P-C4' energy: -207.866 flat angles P-C4'-P energy: -140.652 tors. eta vs tors. theta energy: -262.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -3059.758579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.758579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.758579 (E_RNA) where: Base-Base interactions energy: -2114.339 where: short stacking energy: -903.611 Base-Backbone interact. energy: -6.982 local terms energy: -938.437633 where: bonds (distance) C4'-P energy: -165.238 bonds (distance) P-C4' energy: -171.042 flat angles C4'-P-C4' energy: -216.505 flat angles P-C4'-P energy: -130.420 tors. eta vs tors. theta energy: -255.232 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: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2928.204670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.204670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.204670 (E_RNA) where: Base-Base interactions energy: -2008.609 where: short stacking energy: -859.456 Base-Backbone interact. energy: -4.736 local terms energy: -914.858951 where: bonds (distance) C4'-P energy: -150.793 bonds (distance) P-C4' energy: -192.562 flat angles C4'-P-C4' energy: -209.940 flat angles P-C4'-P energy: -125.565 tors. eta vs tors. theta energy: -235.999 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: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2581.834534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.834534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.834534 (E_RNA) where: Base-Base interactions energy: -1761.607 where: short stacking energy: -801.429 Base-Backbone interact. energy: -6.120 local terms energy: -814.107522 where: bonds (distance) C4'-P energy: -158.325 bonds (distance) P-C4' energy: -172.908 flat angles C4'-P-C4' energy: -179.864 flat angles P-C4'-P energy: -106.945 tors. eta vs tors. theta energy: -196.065 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: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2403.459581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.459581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.459581 (E_RNA) where: Base-Base interactions energy: -1599.906 where: short stacking energy: -723.299 Base-Backbone interact. energy: -0.440 local terms energy: -803.113551 where: bonds (distance) C4'-P energy: -166.832 bonds (distance) P-C4' energy: -156.978 flat angles C4'-P-C4' energy: -170.747 flat angles P-C4'-P energy: -113.803 tors. eta vs tors. theta energy: -194.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2142.733776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.733776 (E_RNA) where: Base-Base interactions energy: -1404.348 where: short stacking energy: -665.405 Base-Backbone interact. energy: -1.323 local terms energy: -737.062298 where: bonds (distance) C4'-P energy: -145.350 bonds (distance) P-C4' energy: -140.172 flat angles C4'-P-C4' energy: -177.143 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -165.951 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: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1950.374435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.374435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.374435 (E_RNA) where: Base-Base interactions energy: -1237.749 where: short stacking energy: -566.942 Base-Backbone interact. energy: -2.650 local terms energy: -709.975822 where: bonds (distance) C4'-P energy: -156.170 bonds (distance) P-C4' energy: -141.170 flat angles C4'-P-C4' energy: -155.640 flat angles P-C4'-P energy: -112.825 tors. eta vs tors. theta energy: -144.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1441.331131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.331131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.331131 (E_RNA) where: Base-Base interactions energy: -857.720 where: short stacking energy: -417.727 Base-Backbone interact. energy: -3.355 local terms energy: -580.256255 where: bonds (distance) C4'-P energy: -137.052 bonds (distance) P-C4' energy: -152.500 flat angles C4'-P-C4' energy: -151.185 flat angles P-C4'-P energy: -82.875 tors. eta vs tors. theta energy: -56.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1356.416546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.416546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.416546 (E_RNA) where: Base-Base interactions energy: -789.823 where: short stacking energy: -382.440 Base-Backbone interact. energy: 3.372 local terms energy: -569.966234 where: bonds (distance) C4'-P energy: -161.277 bonds (distance) P-C4' energy: -130.335 flat angles C4'-P-C4' energy: -148.099 flat angles P-C4'-P energy: -78.339 tors. eta vs tors. theta energy: -51.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -929.955109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.955109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.955109 (E_RNA) where: Base-Base interactions energy: -442.527 where: short stacking energy: -289.545 Base-Backbone interact. energy: 6.611 local terms energy: -494.039166 where: bonds (distance) C4'-P energy: -138.231 bonds (distance) P-C4' energy: -160.827 flat angles C4'-P-C4' energy: -126.558 flat angles P-C4'-P energy: -81.170 tors. eta vs tors. theta energy: 12.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3166.922707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.922707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.922707 (E_RNA) where: Base-Base interactions energy: -2195.199 where: short stacking energy: -953.226 Base-Backbone interact. energy: -5.080 local terms energy: -966.643813 where: bonds (distance) C4'-P energy: -177.777 bonds (distance) P-C4' energy: -178.956 flat angles C4'-P-C4' energy: -211.003 flat angles P-C4'-P energy: -137.494 tors. eta vs tors. theta energy: -261.414 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: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -3026.718778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.718778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.718778 (E_RNA) where: Base-Base interactions energy: -2099.837 where: short stacking energy: -882.645 Base-Backbone interact. energy: -5.301 local terms energy: -921.581080 where: bonds (distance) C4'-P energy: -177.442 bonds (distance) P-C4' energy: -176.251 flat angles C4'-P-C4' energy: -198.810 flat angles P-C4'-P energy: -122.584 tors. eta vs tors. theta energy: -246.493 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: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2883.789761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.789761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.789761 (E_RNA) where: Base-Base interactions energy: -1986.228 where: short stacking energy: -831.601 Base-Backbone interact. energy: -3.939 local terms energy: -893.622842 where: bonds (distance) C4'-P energy: -154.645 bonds (distance) P-C4' energy: -167.198 flat angles C4'-P-C4' energy: -212.619 flat angles P-C4'-P energy: -130.495 tors. eta vs tors. theta energy: -228.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2555.211073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.211073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.211073 (E_RNA) where: Base-Base interactions energy: -1713.291 where: short stacking energy: -777.445 Base-Backbone interact. energy: -5.773 local terms energy: -836.146778 where: bonds (distance) C4'-P energy: -152.664 bonds (distance) P-C4' energy: -172.080 flat angles C4'-P-C4' energy: -179.967 flat angles P-C4'-P energy: -112.937 tors. eta vs tors. theta energy: -218.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2343.573827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.573827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.573827 (E_RNA) where: Base-Base interactions energy: -1546.925 where: short stacking energy: -729.461 Base-Backbone interact. energy: -0.014 local terms energy: -796.634222 where: bonds (distance) C4'-P energy: -170.809 bonds (distance) P-C4' energy: -168.541 flat angles C4'-P-C4' energy: -161.803 flat angles P-C4'-P energy: -114.092 tors. eta vs tors. theta energy: -181.390 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: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2148.393238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.393238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.393238 (E_RNA) where: Base-Base interactions energy: -1408.406 where: short stacking energy: -667.925 Base-Backbone interact. energy: -0.154 local terms energy: -739.832793 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -163.843 flat angles C4'-P-C4' energy: -172.004 flat angles P-C4'-P energy: -102.058 tors. eta vs tors. theta energy: -163.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1957.525452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.525452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.525452 (E_RNA) where: Base-Base interactions energy: -1275.567 where: short stacking energy: -610.812 Base-Backbone interact. energy: 2.894 local terms energy: -684.852021 where: bonds (distance) C4'-P energy: -147.217 bonds (distance) P-C4' energy: -154.010 flat angles C4'-P-C4' energy: -166.102 flat angles P-C4'-P energy: -77.093 tors. eta vs tors. theta energy: -140.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1445.378495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.378495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.378495 (E_RNA) where: Base-Base interactions energy: -845.697 where: short stacking energy: -442.588 Base-Backbone interact. energy: -0.475 local terms energy: -599.205717 where: bonds (distance) C4'-P energy: -127.046 bonds (distance) P-C4' energy: -167.142 flat angles C4'-P-C4' energy: -143.616 flat angles P-C4'-P energy: -102.857 tors. eta vs tors. theta energy: -58.545 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: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1281.584712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.584712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.584712 (E_RNA) where: Base-Base interactions energy: -747.771 where: short stacking energy: -380.016 Base-Backbone interact. energy: -0.641 local terms energy: -533.172190 where: bonds (distance) C4'-P energy: -142.656 bonds (distance) P-C4' energy: -159.852 flat angles C4'-P-C4' energy: -126.116 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -23.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -910.167853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.167853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.167853 (E_RNA) where: Base-Base interactions energy: -456.165 where: short stacking energy: -262.013 Base-Backbone interact. energy: 6.183 local terms energy: -460.186228 where: bonds (distance) C4'-P energy: -145.828 bonds (distance) P-C4' energy: -146.376 flat angles C4'-P-C4' energy: -122.000 flat angles P-C4'-P energy: -58.578 tors. eta vs tors. theta energy: 12.595 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: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3186.703564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.703564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.703564 (E_RNA) where: Base-Base interactions energy: -2173.784 where: short stacking energy: -964.459 Base-Backbone interact. energy: -2.909 local terms energy: -1010.009894 where: bonds (distance) C4'-P energy: -182.851 bonds (distance) P-C4' energy: -187.484 flat angles C4'-P-C4' energy: -216.615 flat angles P-C4'-P energy: -143.791 tors. eta vs tors. theta energy: -279.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -3043.942776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.942776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.942776 (E_RNA) where: Base-Base interactions energy: -2086.065 where: short stacking energy: -909.343 Base-Backbone interact. energy: -3.108 local terms energy: -954.769477 where: bonds (distance) C4'-P energy: -181.996 bonds (distance) P-C4' energy: -172.708 flat angles C4'-P-C4' energy: -193.624 flat angles P-C4'-P energy: -151.041 tors. eta vs tors. theta energy: -255.400 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: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2918.507397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.507397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.507397 (E_RNA) where: Base-Base interactions energy: -1986.050 where: short stacking energy: -865.333 Base-Backbone interact. energy: -0.733 local terms energy: -931.724178 where: bonds (distance) C4'-P energy: -170.240 bonds (distance) P-C4' energy: -178.196 flat angles C4'-P-C4' energy: -197.668 flat angles P-C4'-P energy: -127.692 tors. eta vs tors. theta energy: -257.927 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: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2527.307890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.307890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.307890 (E_RNA) where: Base-Base interactions energy: -1715.610 where: short stacking energy: -766.160 Base-Backbone interact. energy: -2.390 local terms energy: -809.307802 where: bonds (distance) C4'-P energy: -165.613 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -179.628 flat angles P-C4'-P energy: -120.480 tors. eta vs tors. theta energy: -188.563 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: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2374.513085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.513085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.513085 (E_RNA) where: Base-Base interactions energy: -1596.931 where: short stacking energy: -692.330 Base-Backbone interact. energy: -3.556 local terms energy: -774.026636 where: bonds (distance) C4'-P energy: -144.208 bonds (distance) P-C4' energy: -159.481 flat angles C4'-P-C4' energy: -190.308 flat angles P-C4'-P energy: -114.861 tors. eta vs tors. theta energy: -165.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2228.623343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.623343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.623343 (E_RNA) where: Base-Base interactions energy: -1449.573 where: short stacking energy: -700.727 Base-Backbone interact. energy: -6.526 local terms energy: -772.524544 where: bonds (distance) C4'-P energy: -132.283 bonds (distance) P-C4' energy: -158.431 flat angles C4'-P-C4' energy: -186.612 flat angles P-C4'-P energy: -107.974 tors. eta vs tors. theta energy: -187.225 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: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2007.014152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.014152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.014152 (E_RNA) where: Base-Base interactions energy: -1309.928 where: short stacking energy: -590.299 Base-Backbone interact. energy: -2.058 local terms energy: -695.028078 where: bonds (distance) C4'-P energy: -161.680 bonds (distance) P-C4' energy: -141.045 flat angles C4'-P-C4' energy: -168.407 flat angles P-C4'-P energy: -83.578 tors. eta vs tors. theta energy: -140.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1481.868210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.868210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.868210 (E_RNA) where: Base-Base interactions energy: -874.506 where: short stacking energy: -452.178 Base-Backbone interact. energy: -3.038 local terms energy: -604.324645 where: bonds (distance) C4'-P energy: -147.115 bonds (distance) P-C4' energy: -158.742 flat angles C4'-P-C4' energy: -137.742 flat angles P-C4'-P energy: -90.092 tors. eta vs tors. theta energy: -70.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1351.000733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.000733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.000733 (E_RNA) where: Base-Base interactions energy: -780.587 where: short stacking energy: -397.362 Base-Backbone interact. energy: 4.164 local terms energy: -574.577737 where: bonds (distance) C4'-P energy: -143.586 bonds (distance) P-C4' energy: -145.560 flat angles C4'-P-C4' energy: -134.697 flat angles P-C4'-P energy: -91.601 tors. eta vs tors. theta energy: -59.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -848.930956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.930956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.930956 (E_RNA) where: Base-Base interactions energy: -418.023 where: short stacking energy: -244.862 Base-Backbone interact. energy: 5.694 local terms energy: -436.602108 where: bonds (distance) C4'-P energy: -112.831 bonds (distance) P-C4' energy: -146.454 flat angles C4'-P-C4' energy: -129.621 flat angles P-C4'-P energy: -78.919 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: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3198.503815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.503815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.503815 (E_RNA) where: Base-Base interactions energy: -2235.075 where: short stacking energy: -944.383 Base-Backbone interact. energy: -7.225 local terms energy: -956.203918 where: bonds (distance) C4'-P energy: -169.748 bonds (distance) P-C4' energy: -173.671 flat angles C4'-P-C4' energy: -215.949 flat angles P-C4'-P energy: -125.692 tors. eta vs tors. theta energy: -271.144 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: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -3060.350856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.350856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.350856 (E_RNA) where: Base-Base interactions energy: -2115.444 where: short stacking energy: -913.638 Base-Backbone interact. energy: -2.798 local terms energy: -942.109054 where: bonds (distance) C4'-P energy: -172.546 bonds (distance) P-C4' energy: -171.488 flat angles C4'-P-C4' energy: -199.861 flat angles P-C4'-P energy: -138.969 tors. eta vs tors. theta energy: -259.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2891.517354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.517354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.517354 (E_RNA) where: Base-Base interactions energy: -1956.181 where: short stacking energy: -855.762 Base-Backbone interact. energy: -5.056 local terms energy: -930.280150 where: bonds (distance) C4'-P energy: -170.875 bonds (distance) P-C4' energy: -184.252 flat angles C4'-P-C4' energy: -207.500 flat angles P-C4'-P energy: -127.822 tors. eta vs tors. theta energy: -239.831 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: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2485.075448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.075448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.075448 (E_RNA) where: Base-Base interactions energy: -1674.518 where: short stacking energy: -733.480 Base-Backbone interact. energy: -6.277 local terms energy: -804.280131 where: bonds (distance) C4'-P energy: -159.469 bonds (distance) P-C4' energy: -181.243 flat angles C4'-P-C4' energy: -185.289 flat angles P-C4'-P energy: -100.890 tors. eta vs tors. theta energy: -177.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2426.878310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.878310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.878310 (E_RNA) where: Base-Base interactions energy: -1630.026 where: short stacking energy: -745.692 Base-Backbone interact. energy: -2.383 local terms energy: -794.468763 where: bonds (distance) C4'-P energy: -156.234 bonds (distance) P-C4' energy: -161.004 flat angles C4'-P-C4' energy: -187.252 flat angles P-C4'-P energy: -99.225 tors. eta vs tors. theta energy: -190.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2159.375528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.375528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.375528 (E_RNA) where: Base-Base interactions energy: -1375.673 where: short stacking energy: -660.691 Base-Backbone interact. energy: -1.621 local terms energy: -782.081743 where: bonds (distance) C4'-P energy: -152.602 bonds (distance) P-C4' energy: -147.022 flat angles C4'-P-C4' energy: -171.462 flat angles P-C4'-P energy: -121.243 tors. eta vs tors. theta energy: -189.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1991.509881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.509881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.509881 (E_RNA) where: Base-Base interactions energy: -1299.549 where: short stacking energy: -603.121 Base-Backbone interact. energy: -2.660 local terms energy: -689.301106 where: bonds (distance) C4'-P energy: -155.803 bonds (distance) P-C4' energy: -134.303 flat angles C4'-P-C4' energy: -166.295 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -137.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1507.690353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.690353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.690353 (E_RNA) where: Base-Base interactions energy: -923.078 where: short stacking energy: -474.849 Base-Backbone interact. energy: 1.714 local terms energy: -586.326614 where: bonds (distance) C4'-P energy: -121.110 bonds (distance) P-C4' energy: -157.297 flat angles C4'-P-C4' energy: -161.762 flat angles P-C4'-P energy: -69.855 tors. eta vs tors. theta energy: -76.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1347.311093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.311093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.311093 (E_RNA) where: Base-Base interactions energy: -806.815 where: short stacking energy: -389.493 Base-Backbone interact. energy: 9.175 local terms energy: -549.671890 where: bonds (distance) C4'-P energy: -137.370 bonds (distance) P-C4' energy: -139.825 flat angles C4'-P-C4' energy: -151.213 flat angles P-C4'-P energy: -91.946 tors. eta vs tors. theta energy: -29.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -827.934078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.934078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.934078 (E_RNA) where: Base-Base interactions energy: -341.786 where: short stacking energy: -206.590 Base-Backbone interact. energy: -3.174 local terms energy: -482.974511 where: bonds (distance) C4'-P energy: -147.253 bonds (distance) P-C4' energy: -150.367 flat angles C4'-P-C4' energy: -130.885 flat angles P-C4'-P energy: -91.508 tors. eta vs tors. theta energy: 37.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3178.045587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.045587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.045587 (E_RNA) where: Base-Base interactions energy: -2193.349 where: short stacking energy: -968.291 Base-Backbone interact. energy: -5.111 local terms energy: -979.585506 where: bonds (distance) C4'-P energy: -184.373 bonds (distance) P-C4' energy: -173.114 flat angles C4'-P-C4' energy: -209.000 flat angles P-C4'-P energy: -139.615 tors. eta vs tors. theta energy: -273.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2993.984960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.984960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.984960 (E_RNA) where: Base-Base interactions energy: -2103.118 where: short stacking energy: -898.899 Base-Backbone interact. energy: -2.956 local terms energy: -887.911571 where: bonds (distance) C4'-P energy: -167.710 bonds (distance) P-C4' energy: -160.522 flat angles C4'-P-C4' energy: -194.194 flat angles P-C4'-P energy: -122.598 tors. eta vs tors. theta energy: -242.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2913.461311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.461311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.461311 (E_RNA) where: Base-Base interactions energy: -1989.592 where: short stacking energy: -855.501 Base-Backbone interact. energy: -4.195 local terms energy: -919.674206 where: bonds (distance) C4'-P energy: -178.901 bonds (distance) P-C4' energy: -163.716 flat angles C4'-P-C4' energy: -203.404 flat angles P-C4'-P energy: -137.236 tors. eta vs tors. theta energy: -236.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2528.615798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.615798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.615798 (E_RNA) where: Base-Base interactions energy: -1703.911 where: short stacking energy: -754.367 Base-Backbone interact. energy: -8.048 local terms energy: -816.656587 where: bonds (distance) C4'-P energy: -170.386 bonds (distance) P-C4' energy: -173.560 flat angles C4'-P-C4' energy: -183.304 flat angles P-C4'-P energy: -112.687 tors. eta vs tors. theta energy: -176.719 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: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2461.380677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.380677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.380677 (E_RNA) where: Base-Base interactions energy: -1636.829 where: short stacking energy: -780.658 Base-Backbone interact. energy: -3.044 local terms energy: -821.508492 where: bonds (distance) C4'-P energy: -160.718 bonds (distance) P-C4' energy: -155.936 flat angles C4'-P-C4' energy: -180.733 flat angles P-C4'-P energy: -126.322 tors. eta vs tors. theta energy: -197.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2164.413624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.413624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.413624 (E_RNA) where: Base-Base interactions energy: -1390.156 where: short stacking energy: -668.178 Base-Backbone interact. energy: 5.932 local terms energy: -780.189766 where: bonds (distance) C4'-P energy: -152.015 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -182.294 flat angles P-C4'-P energy: -114.660 tors. eta vs tors. theta energy: -165.362 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: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2023.648734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.648734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.648734 (E_RNA) where: Base-Base interactions energy: -1301.762 where: short stacking energy: -611.201 Base-Backbone interact. energy: -1.599 local terms energy: -720.287691 where: bonds (distance) C4'-P energy: -160.216 bonds (distance) P-C4' energy: -150.878 flat angles C4'-P-C4' energy: -151.025 flat angles P-C4'-P energy: -119.752 tors. eta vs tors. theta energy: -138.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1423.776658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.776658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.776658 (E_RNA) where: Base-Base interactions energy: -866.076 where: short stacking energy: -434.413 Base-Backbone interact. energy: -0.738 local terms energy: -556.961985 where: bonds (distance) C4'-P energy: -136.251 bonds (distance) P-C4' energy: -137.383 flat angles C4'-P-C4' energy: -134.004 flat angles P-C4'-P energy: -89.215 tors. eta vs tors. theta energy: -60.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1368.257048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.257048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.257048 (E_RNA) where: Base-Base interactions energy: -823.210 where: short stacking energy: -386.356 Base-Backbone interact. energy: 7.120 local terms energy: -552.167247 where: bonds (distance) C4'-P energy: -163.165 bonds (distance) P-C4' energy: -143.252 flat angles C4'-P-C4' energy: -134.844 flat angles P-C4'-P energy: -79.443 tors. eta vs tors. theta energy: -31.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -822.670567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.670567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.670567 (E_RNA) where: Base-Base interactions energy: -361.866 where: short stacking energy: -239.602 Base-Backbone interact. energy: 3.797 local terms energy: -464.602314 where: bonds (distance) C4'-P energy: -150.372 bonds (distance) P-C4' energy: -136.245 flat angles C4'-P-C4' energy: -121.091 flat angles P-C4'-P energy: -91.462 tors. eta vs tors. theta energy: 34.567 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: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3160.484198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.484198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.484198 (E_RNA) where: Base-Base interactions energy: -2162.316 where: short stacking energy: -947.057 Base-Backbone interact. energy: -2.294 local terms energy: -995.874534 where: bonds (distance) C4'-P energy: -189.357 bonds (distance) P-C4' energy: -188.459 flat angles C4'-P-C4' energy: -209.331 flat angles P-C4'-P energy: -128.099 tors. eta vs tors. theta energy: -280.628 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: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -3019.155783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.155783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.155783 (E_RNA) where: Base-Base interactions energy: -2070.530 where: short stacking energy: -873.059 Base-Backbone interact. energy: -4.106 local terms energy: -944.520017 where: bonds (distance) C4'-P energy: -158.506 bonds (distance) P-C4' energy: -186.823 flat angles C4'-P-C4' energy: -210.126 flat angles P-C4'-P energy: -140.564 tors. eta vs tors. theta energy: -248.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2879.445527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.445527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.445527 (E_RNA) where: Base-Base interactions energy: -1962.631 where: short stacking energy: -858.887 Base-Backbone interact. energy: -4.419 local terms energy: -912.395887 where: bonds (distance) C4'-P energy: -165.838 bonds (distance) P-C4' energy: -171.201 flat angles C4'-P-C4' energy: -195.834 flat angles P-C4'-P energy: -133.365 tors. eta vs tors. theta energy: -246.158 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: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2560.514453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.514453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.514453 (E_RNA) where: Base-Base interactions energy: -1731.381 where: short stacking energy: -761.305 Base-Backbone interact. energy: -7.585 local terms energy: -821.548625 where: bonds (distance) C4'-P energy: -167.722 bonds (distance) P-C4' energy: -190.268 flat angles C4'-P-C4' energy: -177.152 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -181.844 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: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2402.783152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.783152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.783152 (E_RNA) where: Base-Base interactions energy: -1588.125 where: short stacking energy: -728.846 Base-Backbone interact. energy: -3.947 local terms energy: -810.711647 where: bonds (distance) C4'-P energy: -156.872 bonds (distance) P-C4' energy: -166.904 flat angles C4'-P-C4' energy: -178.223 flat angles P-C4'-P energy: -116.443 tors. eta vs tors. theta energy: -192.269 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: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2177.846438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.846438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.846438 (E_RNA) where: Base-Base interactions energy: -1399.249 where: short stacking energy: -648.672 Base-Backbone interact. energy: 1.161 local terms energy: -779.758109 where: bonds (distance) C4'-P energy: -169.903 bonds (distance) P-C4' energy: -175.327 flat angles C4'-P-C4' energy: -165.700 flat angles P-C4'-P energy: -102.584 tors. eta vs tors. theta energy: -166.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2000.005130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.005130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.005130 (E_RNA) where: Base-Base interactions energy: -1292.447 where: short stacking energy: -610.928 Base-Backbone interact. energy: -0.091 local terms energy: -707.467508 where: bonds (distance) C4'-P energy: -161.713 bonds (distance) P-C4' energy: -160.156 flat angles C4'-P-C4' energy: -159.339 flat angles P-C4'-P energy: -95.498 tors. eta vs tors. theta energy: -130.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1432.314221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.314221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.314221 (E_RNA) where: Base-Base interactions energy: -857.661 where: short stacking energy: -402.144 Base-Backbone interact. energy: 2.177 local terms energy: -576.829861 where: bonds (distance) C4'-P energy: -153.535 bonds (distance) P-C4' energy: -149.278 flat angles C4'-P-C4' energy: -131.932 flat angles P-C4'-P energy: -82.033 tors. eta vs tors. theta energy: -60.051 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: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1280.720999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.720999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.720999 (E_RNA) where: Base-Base interactions energy: -757.909 where: short stacking energy: -386.988 Base-Backbone interact. energy: 2.553 local terms energy: -525.365422 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -151.649 flat angles C4'-P-C4' energy: -128.641 flat angles P-C4'-P energy: -75.340 tors. eta vs tors. theta energy: -44.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -877.474367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.474367 (E_RNA) where: Base-Base interactions energy: -422.851 where: short stacking energy: -287.118 Base-Backbone interact. energy: -3.071 local terms energy: -451.552351 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -134.087 flat angles C4'-P-C4' energy: -137.123 flat angles P-C4'-P energy: -60.189 tors. eta vs tors. theta energy: 4.678 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: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3181.139244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.139244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.139244 (E_RNA) where: Base-Base interactions energy: -2180.466 where: short stacking energy: -955.651 Base-Backbone interact. energy: -4.631 local terms energy: -996.041977 where: bonds (distance) C4'-P energy: -184.753 bonds (distance) P-C4' energy: -188.453 flat angles C4'-P-C4' energy: -211.924 flat angles P-C4'-P energy: -127.977 tors. eta vs tors. theta energy: -282.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -3002.920016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.920016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.920016 (E_RNA) where: Base-Base interactions energy: -2051.398 where: short stacking energy: -894.716 Base-Backbone interact. energy: -5.255 local terms energy: -946.267342 where: bonds (distance) C4'-P energy: -179.415 bonds (distance) P-C4' energy: -178.539 flat angles C4'-P-C4' energy: -204.544 flat angles P-C4'-P energy: -128.027 tors. eta vs tors. theta energy: -255.742 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: 3, replica: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2925.208038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.208038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.208038 (E_RNA) where: Base-Base interactions energy: -1999.341 where: short stacking energy: -863.658 Base-Backbone interact. energy: -6.707 local terms energy: -919.159237 where: bonds (distance) C4'-P energy: -175.178 bonds (distance) P-C4' energy: -184.061 flat angles C4'-P-C4' energy: -196.460 flat angles P-C4'-P energy: -130.852 tors. eta vs tors. theta energy: -232.607 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: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2647.823943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.823943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.823943 (E_RNA) where: Base-Base interactions energy: -1793.550 where: short stacking energy: -773.418 Base-Backbone interact. energy: -0.626 local terms energy: -853.648443 where: bonds (distance) C4'-P energy: -176.384 bonds (distance) P-C4' energy: -148.426 flat angles C4'-P-C4' energy: -211.016 flat angles P-C4'-P energy: -120.694 tors. eta vs tors. theta energy: -197.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2436.085565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.085565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.085565 (E_RNA) where: Base-Base interactions energy: -1636.399 where: short stacking energy: -721.821 Base-Backbone interact. energy: 0.088 local terms energy: -799.775175 where: bonds (distance) C4'-P energy: -156.587 bonds (distance) P-C4' energy: -160.560 flat angles C4'-P-C4' energy: -187.317 flat angles P-C4'-P energy: -112.006 tors. eta vs tors. theta energy: -183.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2145.746996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.746996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.746996 (E_RNA) where: Base-Base interactions energy: -1369.420 where: short stacking energy: -657.714 Base-Backbone interact. energy: -2.719 local terms energy: -773.607446 where: bonds (distance) C4'-P energy: -141.844 bonds (distance) P-C4' energy: -164.024 flat angles C4'-P-C4' energy: -174.540 flat angles P-C4'-P energy: -115.878 tors. eta vs tors. theta energy: -177.321 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: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1992.368029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.368029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.368029 (E_RNA) where: Base-Base interactions energy: -1296.837 where: short stacking energy: -566.613 Base-Backbone interact. energy: -4.060 local terms energy: -691.471170 where: bonds (distance) C4'-P energy: -157.367 bonds (distance) P-C4' energy: -167.069 flat angles C4'-P-C4' energy: -164.231 flat angles P-C4'-P energy: -99.124 tors. eta vs tors. theta energy: -103.679 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: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1565.774019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.774019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.774019 (E_RNA) where: Base-Base interactions energy: -966.210 where: short stacking energy: -450.520 Base-Backbone interact. energy: 0.552 local terms energy: -600.115822 where: bonds (distance) C4'-P energy: -156.638 bonds (distance) P-C4' energy: -149.035 flat angles C4'-P-C4' energy: -135.672 flat angles P-C4'-P energy: -99.907 tors. eta vs tors. theta energy: -58.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1343.575757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.575757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.575757 (E_RNA) where: Base-Base interactions energy: -794.869 where: short stacking energy: -360.869 Base-Backbone interact. energy: 4.565 local terms energy: -553.272253 where: bonds (distance) C4'-P energy: -167.483 bonds (distance) P-C4' energy: -147.887 flat angles C4'-P-C4' energy: -151.612 flat angles P-C4'-P energy: -53.743 tors. eta vs tors. theta energy: -32.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -900.937657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.937657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.937657 (E_RNA) where: Base-Base interactions energy: -414.268 where: short stacking energy: -258.948 Base-Backbone interact. energy: 3.303 local terms energy: -489.972286 where: bonds (distance) C4'-P energy: -140.463 bonds (distance) P-C4' energy: -150.754 flat angles C4'-P-C4' energy: -132.800 flat angles P-C4'-P energy: -59.565 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3151.869741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.869741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.869741 (E_RNA) where: Base-Base interactions energy: -2188.754 where: short stacking energy: -949.566 Base-Backbone interact. energy: 3.875 local terms energy: -966.990537 where: bonds (distance) C4'-P energy: -180.730 bonds (distance) P-C4' energy: -179.651 flat angles C4'-P-C4' energy: -215.750 flat angles P-C4'-P energy: -131.382 tors. eta vs tors. theta energy: -259.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -3006.738545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.738545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.738545 (E_RNA) where: Base-Base interactions energy: -2072.998 where: short stacking energy: -896.529 Base-Backbone interact. energy: -4.858 local terms energy: -928.882301 where: bonds (distance) C4'-P energy: -180.831 bonds (distance) P-C4' energy: -176.834 flat angles C4'-P-C4' energy: -194.605 flat angles P-C4'-P energy: -120.423 tors. eta vs tors. theta energy: -256.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2905.416154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.416154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.416154 (E_RNA) where: Base-Base interactions energy: -2018.056 where: short stacking energy: -848.853 Base-Backbone interact. energy: -7.030 local terms energy: -880.329364 where: bonds (distance) C4'-P energy: -169.885 bonds (distance) P-C4' energy: -166.239 flat angles C4'-P-C4' energy: -199.928 flat angles P-C4'-P energy: -115.684 tors. eta vs tors. theta energy: -228.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2637.658121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.658121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.658121 (E_RNA) where: Base-Base interactions energy: -1775.440 where: short stacking energy: -770.534 Base-Backbone interact. energy: -3.162 local terms energy: -859.055592 where: bonds (distance) C4'-P energy: -169.693 bonds (distance) P-C4' energy: -175.928 flat angles C4'-P-C4' energy: -184.514 flat angles P-C4'-P energy: -123.509 tors. eta vs tors. theta energy: -205.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2443.392077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.392077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.392077 (E_RNA) where: Base-Base interactions energy: -1610.565 where: short stacking energy: -702.336 Base-Backbone interact. energy: -3.961 local terms energy: -828.865803 where: bonds (distance) C4'-P energy: -156.275 bonds (distance) P-C4' energy: -171.365 flat angles C4'-P-C4' energy: -196.780 flat angles P-C4'-P energy: -107.364 tors. eta vs tors. theta energy: -197.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2243.146633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.146633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.146633 (E_RNA) where: Base-Base interactions energy: -1486.211 where: short stacking energy: -674.173 Base-Backbone interact. energy: 0.307 local terms energy: -757.243202 where: bonds (distance) C4'-P energy: -147.728 bonds (distance) P-C4' energy: -153.446 flat angles C4'-P-C4' energy: -173.507 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -181.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1952.578850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.578850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.578850 (E_RNA) where: Base-Base interactions energy: -1285.796 where: short stacking energy: -601.775 Base-Backbone interact. energy: 3.025 local terms energy: -669.808045 where: bonds (distance) C4'-P energy: -139.137 bonds (distance) P-C4' energy: -171.086 flat angles C4'-P-C4' energy: -149.860 flat angles P-C4'-P energy: -108.926 tors. eta vs tors. theta energy: -100.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1500.103434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.103434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.103434 (E_RNA) where: Base-Base interactions energy: -898.628 where: short stacking energy: -437.151 Base-Backbone interact. energy: 1.948 local terms energy: -603.423801 where: bonds (distance) C4'-P energy: -154.329 bonds (distance) P-C4' energy: -146.726 flat angles C4'-P-C4' energy: -136.386 flat angles P-C4'-P energy: -97.763 tors. eta vs tors. theta energy: -68.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1319.865360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.865360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.865360 (E_RNA) where: Base-Base interactions energy: -735.047 where: short stacking energy: -361.289 Base-Backbone interact. energy: -4.173 local terms energy: -580.644831 where: bonds (distance) C4'-P energy: -134.805 bonds (distance) P-C4' energy: -145.144 flat angles C4'-P-C4' energy: -156.444 flat angles P-C4'-P energy: -117.865 tors. eta vs tors. theta energy: -26.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -859.411651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.411651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.411651 (E_RNA) where: Base-Base interactions energy: -400.884 where: short stacking energy: -246.641 Base-Backbone interact. energy: 0.581 local terms energy: -459.108973 where: bonds (distance) C4'-P energy: -151.119 bonds (distance) P-C4' energy: -151.244 flat angles C4'-P-C4' energy: -114.191 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: 9.423 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: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3168.430621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.430621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.430621 (E_RNA) where: Base-Base interactions energy: -2154.318 where: short stacking energy: -923.005 Base-Backbone interact. energy: -4.489 local terms energy: -1009.623205 where: bonds (distance) C4'-P energy: -172.638 bonds (distance) P-C4' energy: -196.936 flat angles C4'-P-C4' energy: -215.498 flat angles P-C4'-P energy: -152.746 tors. eta vs tors. theta energy: -271.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -3048.671030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.671030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.671030 (E_RNA) where: Base-Base interactions energy: -2098.596 where: short stacking energy: -895.302 Base-Backbone interact. energy: -2.737 local terms energy: -947.337940 where: bonds (distance) C4'-P energy: -175.648 bonds (distance) P-C4' energy: -187.023 flat angles C4'-P-C4' energy: -198.059 flat angles P-C4'-P energy: -137.648 tors. eta vs tors. theta energy: -248.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2914.633436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.633436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.633436 (E_RNA) where: Base-Base interactions energy: -2009.605 where: short stacking energy: -850.286 Base-Backbone interact. energy: -2.419 local terms energy: -902.608920 where: bonds (distance) C4'-P energy: -168.107 bonds (distance) P-C4' energy: -177.739 flat angles C4'-P-C4' energy: -189.490 flat angles P-C4'-P energy: -136.075 tors. eta vs tors. theta energy: -231.199 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: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2625.633567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.633567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.633567 (E_RNA) where: Base-Base interactions energy: -1770.439 where: short stacking energy: -757.127 Base-Backbone interact. energy: 0.603 local terms energy: -855.797412 where: bonds (distance) C4'-P energy: -158.901 bonds (distance) P-C4' energy: -178.513 flat angles C4'-P-C4' energy: -182.636 flat angles P-C4'-P energy: -123.922 tors. eta vs tors. theta energy: -211.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2505.139407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.139407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.139407 (E_RNA) where: Base-Base interactions energy: -1709.249 where: short stacking energy: -774.323 Base-Backbone interact. energy: -5.200 local terms energy: -790.690564 where: bonds (distance) C4'-P energy: -141.913 bonds (distance) P-C4' energy: -157.721 flat angles C4'-P-C4' energy: -186.921 flat angles P-C4'-P energy: -110.014 tors. eta vs tors. theta energy: -194.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2210.126378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.126378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.126378 (E_RNA) where: Base-Base interactions energy: -1395.800 where: short stacking energy: -656.105 Base-Backbone interact. energy: -4.982 local terms energy: -809.343735 where: bonds (distance) C4'-P energy: -170.380 bonds (distance) P-C4' energy: -156.853 flat angles C4'-P-C4' energy: -179.023 flat angles P-C4'-P energy: -128.162 tors. eta vs tors. theta energy: -174.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1953.603910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.603910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.603910 (E_RNA) where: Base-Base interactions energy: -1230.459 where: short stacking energy: -562.791 Base-Backbone interact. energy: 1.408 local terms energy: -724.553326 where: bonds (distance) C4'-P energy: -143.532 bonds (distance) P-C4' energy: -160.274 flat angles C4'-P-C4' energy: -169.772 flat angles P-C4'-P energy: -113.777 tors. eta vs tors. theta energy: -137.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1468.746519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.746519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.746519 (E_RNA) where: Base-Base interactions energy: -874.895 where: short stacking energy: -418.134 Base-Backbone interact. energy: -2.077 local terms energy: -591.774677 where: bonds (distance) C4'-P energy: -171.698 bonds (distance) P-C4' energy: -150.937 flat angles C4'-P-C4' energy: -138.481 flat angles P-C4'-P energy: -83.010 tors. eta vs tors. theta energy: -47.649 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: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1361.329119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.329119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.329119 (E_RNA) where: Base-Base interactions energy: -810.846 where: short stacking energy: -398.305 Base-Backbone interact. energy: 4.458 local terms energy: -554.940398 where: bonds (distance) C4'-P energy: -132.368 bonds (distance) P-C4' energy: -147.072 flat angles C4'-P-C4' energy: -157.157 flat angles P-C4'-P energy: -74.020 tors. eta vs tors. theta energy: -44.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -865.083141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.083141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.083141 (E_RNA) where: Base-Base interactions energy: -409.958 where: short stacking energy: -246.216 Base-Backbone interact. energy: 1.216 local terms energy: -456.341007 where: bonds (distance) C4'-P energy: -145.822 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -77.182 tors. eta vs tors. theta energy: 21.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3166.271286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.271286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.271286 (E_RNA) where: Base-Base interactions energy: -2166.042 where: short stacking energy: -928.715 Base-Backbone interact. energy: -5.111 local terms energy: -995.118299 where: bonds (distance) C4'-P energy: -191.050 bonds (distance) P-C4' energy: -172.609 flat angles C4'-P-C4' energy: -210.113 flat angles P-C4'-P energy: -146.084 tors. eta vs tors. theta energy: -275.262 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: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -3005.857393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.857393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.857393 (E_RNA) where: Base-Base interactions energy: -2062.910 where: short stacking energy: -890.933 Base-Backbone interact. energy: -5.600 local terms energy: -937.347261 where: bonds (distance) C4'-P energy: -165.775 bonds (distance) P-C4' energy: -177.773 flat angles C4'-P-C4' energy: -201.871 flat angles P-C4'-P energy: -140.194 tors. eta vs tors. theta energy: -251.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2919.119137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.119137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.119137 (E_RNA) where: Base-Base interactions energy: -2002.881 where: short stacking energy: -883.551 Base-Backbone interact. energy: -0.178 local terms energy: -916.060272 where: bonds (distance) C4'-P energy: -154.243 bonds (distance) P-C4' energy: -177.702 flat angles C4'-P-C4' energy: -199.895 flat angles P-C4'-P energy: -148.338 tors. eta vs tors. theta energy: -235.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2575.794127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.794127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.794127 (E_RNA) where: Base-Base interactions energy: -1722.162 where: short stacking energy: -727.293 Base-Backbone interact. energy: -2.754 local terms energy: -850.877477 where: bonds (distance) C4'-P energy: -162.177 bonds (distance) P-C4' energy: -180.424 flat angles C4'-P-C4' energy: -194.411 flat angles P-C4'-P energy: -127.449 tors. eta vs tors. theta energy: -186.416 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: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2449.921036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.921036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.921036 (E_RNA) where: Base-Base interactions energy: -1655.182 where: short stacking energy: -728.097 Base-Backbone interact. energy: -1.391 local terms energy: -793.348570 where: bonds (distance) C4'-P energy: -148.704 bonds (distance) P-C4' energy: -151.552 flat angles C4'-P-C4' energy: -183.606 flat angles P-C4'-P energy: -126.028 tors. eta vs tors. theta energy: -183.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2202.111395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.111395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.111395 (E_RNA) where: Base-Base interactions energy: -1422.404 where: short stacking energy: -687.273 Base-Backbone interact. energy: -2.562 local terms energy: -777.145184 where: bonds (distance) C4'-P energy: -152.933 bonds (distance) P-C4' energy: -169.999 flat angles C4'-P-C4' energy: -175.808 flat angles P-C4'-P energy: -96.998 tors. eta vs tors. theta energy: -181.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1893.140676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.140676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.140676 (E_RNA) where: Base-Base interactions energy: -1199.152 where: short stacking energy: -569.661 Base-Backbone interact. energy: 3.366 local terms energy: -697.355002 where: bonds (distance) C4'-P energy: -144.439 bonds (distance) P-C4' energy: -160.285 flat angles C4'-P-C4' energy: -186.115 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -122.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1466.758504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.758504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.758504 (E_RNA) where: Base-Base interactions energy: -873.476 where: short stacking energy: -436.526 Base-Backbone interact. energy: -1.266 local terms energy: -592.016706 where: bonds (distance) C4'-P energy: -155.500 bonds (distance) P-C4' energy: -167.560 flat angles C4'-P-C4' energy: -117.717 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -67.921 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: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1428.003889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.003889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.003889 (E_RNA) where: Base-Base interactions energy: -854.071 where: short stacking energy: -422.383 Base-Backbone interact. energy: 1.070 local terms energy: -575.002686 where: bonds (distance) C4'-P energy: -143.277 bonds (distance) P-C4' energy: -162.183 flat angles C4'-P-C4' energy: -126.994 flat angles P-C4'-P energy: -92.688 tors. eta vs tors. theta energy: -49.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -947.040071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.040071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.040071 (E_RNA) where: Base-Base interactions energy: -425.855 where: short stacking energy: -264.404 Base-Backbone interact. energy: -2.682 local terms energy: -518.503370 where: bonds (distance) C4'-P energy: -152.174 bonds (distance) P-C4' energy: -154.320 flat angles C4'-P-C4' energy: -124.844 flat angles P-C4'-P energy: -97.484 tors. eta vs tors. theta energy: 10.318 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: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3160.406025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.406025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.406025 (E_RNA) where: Base-Base interactions energy: -2166.545 where: short stacking energy: -937.822 Base-Backbone interact. energy: -5.862 local terms energy: -987.998597 where: bonds (distance) C4'-P energy: -195.305 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -205.276 flat angles P-C4'-P energy: -143.391 tors. eta vs tors. theta energy: -274.942 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: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -3015.228731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.228731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.228731 (E_RNA) where: Base-Base interactions energy: -2073.148 where: short stacking energy: -899.784 Base-Backbone interact. energy: -3.377 local terms energy: -938.703449 where: bonds (distance) C4'-P energy: -172.465 bonds (distance) P-C4' energy: -178.143 flat angles C4'-P-C4' energy: -203.007 flat angles P-C4'-P energy: -129.058 tors. eta vs tors. theta energy: -256.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2871.888235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.888235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.888235 (E_RNA) where: Base-Base interactions energy: -1959.198 where: short stacking energy: -870.998 Base-Backbone interact. energy: -3.873 local terms energy: -908.816695 where: bonds (distance) C4'-P energy: -159.815 bonds (distance) P-C4' energy: -167.718 flat angles C4'-P-C4' energy: -211.140 flat angles P-C4'-P energy: -119.005 tors. eta vs tors. theta energy: -251.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2634.385707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.385707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.385707 (E_RNA) where: Base-Base interactions energy: -1767.277 where: short stacking energy: -780.192 Base-Backbone interact. energy: -3.836 local terms energy: -863.272619 where: bonds (distance) C4'-P energy: -153.519 bonds (distance) P-C4' energy: -183.167 flat angles C4'-P-C4' energy: -193.431 flat angles P-C4'-P energy: -127.002 tors. eta vs tors. theta energy: -206.155 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: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2408.200088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.200088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.200088 (E_RNA) where: Base-Base interactions energy: -1615.467 where: short stacking energy: -715.482 Base-Backbone interact. energy: 0.404 local terms energy: -793.136731 where: bonds (distance) C4'-P energy: -141.655 bonds (distance) P-C4' energy: -169.109 flat angles C4'-P-C4' energy: -177.426 flat angles P-C4'-P energy: -116.273 tors. eta vs tors. theta energy: -188.674 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: 148 Temperature: 1.150000 Total energy: -2208.481430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.481430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.481430 (E_RNA) where: Base-Base interactions energy: -1455.956 where: short stacking energy: -671.428 Base-Backbone interact. energy: 10.118 local terms energy: -762.643346 where: bonds (distance) C4'-P energy: -168.650 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -179.832 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -165.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1903.021274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.021274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.021274 (E_RNA) where: Base-Base interactions energy: -1263.819 where: short stacking energy: -604.209 Base-Backbone interact. energy: 3.627 local terms energy: -642.829010 where: bonds (distance) C4'-P energy: -149.319 bonds (distance) P-C4' energy: -118.860 flat angles C4'-P-C4' energy: -141.477 flat angles P-C4'-P energy: -104.271 tors. eta vs tors. theta energy: -128.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1418.228089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.228089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.228089 (E_RNA) where: Base-Base interactions energy: -852.980 where: short stacking energy: -428.864 Base-Backbone interact. energy: -1.647 local terms energy: -563.601144 where: bonds (distance) C4'-P energy: -144.714 bonds (distance) P-C4' energy: -131.828 flat angles C4'-P-C4' energy: -152.121 flat angles P-C4'-P energy: -78.263 tors. eta vs tors. theta energy: -56.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1306.917004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.917004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.917004 (E_RNA) where: Base-Base interactions energy: -771.050 where: short stacking energy: -382.091 Base-Backbone interact. energy: 9.110 local terms energy: -544.977283 where: bonds (distance) C4'-P energy: -137.182 bonds (distance) P-C4' energy: -155.665 flat angles C4'-P-C4' energy: -123.293 flat angles P-C4'-P energy: -105.813 tors. eta vs tors. theta energy: -23.024 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: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -876.738066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.738066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.738066 (E_RNA) where: Base-Base interactions energy: -400.111 where: short stacking energy: -264.179 Base-Backbone interact. energy: 3.022 local terms energy: -479.648886 where: bonds (distance) C4'-P energy: -131.282 bonds (distance) P-C4' energy: -139.277 flat angles C4'-P-C4' energy: -139.438 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: 11.166 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: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3210.560912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.560912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.560912 (E_RNA) where: Base-Base interactions energy: -2203.620 where: short stacking energy: -957.437 Base-Backbone interact. energy: -5.443 local terms energy: -1001.498501 where: bonds (distance) C4'-P energy: -184.440 bonds (distance) P-C4' energy: -190.959 flat angles C4'-P-C4' energy: -205.253 flat angles P-C4'-P energy: -135.461 tors. eta vs tors. theta energy: -285.385 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: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -3026.164463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.164463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.164463 (E_RNA) where: Base-Base interactions energy: -2083.618 where: short stacking energy: -934.885 Base-Backbone interact. energy: -3.971 local terms energy: -938.576123 where: bonds (distance) C4'-P energy: -159.180 bonds (distance) P-C4' energy: -178.772 flat angles C4'-P-C4' energy: -205.997 flat angles P-C4'-P energy: -131.387 tors. eta vs tors. theta energy: -263.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2901.017669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.017669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.017669 (E_RNA) where: Base-Base interactions energy: -2017.605 where: short stacking energy: -870.781 Base-Backbone interact. energy: 7.035 local terms energy: -890.447746 where: bonds (distance) C4'-P energy: -164.350 bonds (distance) P-C4' energy: -176.845 flat angles C4'-P-C4' energy: -182.026 flat angles P-C4'-P energy: -132.518 tors. eta vs tors. theta energy: -234.710 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: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2608.113646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.113646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.113646 (E_RNA) where: Base-Base interactions energy: -1759.446 where: short stacking energy: -772.639 Base-Backbone interact. energy: -5.399 local terms energy: -843.269151 where: bonds (distance) C4'-P energy: -166.050 bonds (distance) P-C4' energy: -160.492 flat angles C4'-P-C4' energy: -189.791 flat angles P-C4'-P energy: -129.641 tors. eta vs tors. theta energy: -197.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2433.426887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.426887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.426887 (E_RNA) where: Base-Base interactions energy: -1620.856 where: short stacking energy: -720.967 Base-Backbone interact. energy: -3.005 local terms energy: -809.565970 where: bonds (distance) C4'-P energy: -149.110 bonds (distance) P-C4' energy: -172.374 flat angles C4'-P-C4' energy: -182.746 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -186.835 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: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2209.701180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.701180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.701180 (E_RNA) where: Base-Base interactions energy: -1453.883 where: short stacking energy: -665.761 Base-Backbone interact. energy: -0.303 local terms energy: -755.515147 where: bonds (distance) C4'-P energy: -150.263 bonds (distance) P-C4' energy: -166.409 flat angles C4'-P-C4' energy: -163.011 flat angles P-C4'-P energy: -106.937 tors. eta vs tors. theta energy: -168.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1905.370538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.370538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.370538 (E_RNA) where: Base-Base interactions energy: -1224.052 where: short stacking energy: -537.668 Base-Backbone interact. energy: -7.009 local terms energy: -674.309587 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -159.153 flat angles C4'-P-C4' energy: -159.882 flat angles P-C4'-P energy: -105.212 tors. eta vs tors. theta energy: -118.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1409.992350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.992350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.992350 (E_RNA) where: Base-Base interactions energy: -799.695 where: short stacking energy: -387.748 Base-Backbone interact. energy: -2.843 local terms energy: -607.454231 where: bonds (distance) C4'-P energy: -163.402 bonds (distance) P-C4' energy: -169.485 flat angles C4'-P-C4' energy: -156.399 flat angles P-C4'-P energy: -74.512 tors. eta vs tors. theta energy: -43.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1368.005491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.005491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.005491 (E_RNA) where: Base-Base interactions energy: -799.260 where: short stacking energy: -369.586 Base-Backbone interact. energy: 7.678 local terms energy: -576.423845 where: bonds (distance) C4'-P energy: -156.835 bonds (distance) P-C4' energy: -152.103 flat angles C4'-P-C4' energy: -153.380 flat angles P-C4'-P energy: -84.295 tors. eta vs tors. theta energy: -29.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -856.256237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.256237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.256237 (E_RNA) where: Base-Base interactions energy: -410.253 where: short stacking energy: -266.941 Base-Backbone interact. energy: -3.349 local terms energy: -442.654256 where: bonds (distance) C4'-P energy: -146.618 bonds (distance) P-C4' energy: -131.466 flat angles C4'-P-C4' energy: -126.583 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: 35.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -3182.477051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.477051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.477051 (E_RNA) where: Base-Base interactions energy: -2205.569 where: short stacking energy: -961.734 Base-Backbone interact. energy: -3.870 local terms energy: -973.038093 where: bonds (distance) C4'-P energy: -163.512 bonds (distance) P-C4' energy: -181.842 flat angles C4'-P-C4' energy: -212.860 flat angles P-C4'-P energy: -137.023 tors. eta vs tors. theta energy: -277.801 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: 150 Temperature: 0.950000 Total energy: -3022.326510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.326510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.326510 (E_RNA) where: Base-Base interactions energy: -2107.923 where: short stacking energy: -926.577 Base-Backbone interact. energy: 0.915 local terms energy: -915.318541 where: bonds (distance) C4'-P energy: -181.758 bonds (distance) P-C4' energy: -162.210 flat angles C4'-P-C4' energy: -189.429 flat angles P-C4'-P energy: -134.019 tors. eta vs tors. theta energy: -247.903 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: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2942.210629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.210629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.210629 (E_RNA) where: Base-Base interactions energy: -2059.529 where: short stacking energy: -863.370 Base-Backbone interact. energy: -3.167 local terms energy: -879.514807 where: bonds (distance) C4'-P energy: -159.836 bonds (distance) P-C4' energy: -178.629 flat angles C4'-P-C4' energy: -195.097 flat angles P-C4'-P energy: -117.845 tors. eta vs tors. theta energy: -228.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2593.027271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.027271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.027271 (E_RNA) where: Base-Base interactions energy: -1757.382 where: short stacking energy: -809.276 Base-Backbone interact. energy: -2.345 local terms energy: -833.300236 where: bonds (distance) C4'-P energy: -166.181 bonds (distance) P-C4' energy: -160.043 flat angles C4'-P-C4' energy: -189.028 flat angles P-C4'-P energy: -116.125 tors. eta vs tors. theta energy: -201.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2385.793623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.793623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.793623 (E_RNA) where: Base-Base interactions energy: -1616.288 where: short stacking energy: -701.154 Base-Backbone interact. energy: -4.143 local terms energy: -765.363009 where: bonds (distance) C4'-P energy: -155.646 bonds (distance) P-C4' energy: -154.709 flat angles C4'-P-C4' energy: -172.367 flat angles P-C4'-P energy: -112.744 tors. eta vs tors. theta energy: -169.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2228.005412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.005412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.005412 (E_RNA) where: Base-Base interactions energy: -1443.848 where: short stacking energy: -709.938 Base-Backbone interact. energy: -2.056 local terms energy: -782.101525 where: bonds (distance) C4'-P energy: -168.375 bonds (distance) P-C4' energy: -171.411 flat angles C4'-P-C4' energy: -179.844 flat angles P-C4'-P energy: -87.844 tors. eta vs tors. theta energy: -174.628 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: 150 Temperature: 1.200000 Total energy: -1950.284244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.284244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.284244 (E_RNA) where: Base-Base interactions energy: -1256.296 where: short stacking energy: -596.542 Base-Backbone interact. energy: -2.363 local terms energy: -691.625317 where: bonds (distance) C4'-P energy: -151.139 bonds (distance) P-C4' energy: -159.662 flat angles C4'-P-C4' energy: -155.137 flat angles P-C4'-P energy: -78.348 tors. eta vs tors. theta energy: -147.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1422.630222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.630222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.630222 (E_RNA) where: Base-Base interactions energy: -783.569 where: short stacking energy: -390.452 Base-Backbone interact. energy: 0.442 local terms energy: -639.503144 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -150.621 flat angles C4'-P-C4' energy: -155.469 flat angles P-C4'-P energy: -111.589 tors. eta vs tors. theta energy: -69.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1454.272517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.272517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.272517 (E_RNA) where: Base-Base interactions energy: -893.797 where: short stacking energy: -396.741 Base-Backbone interact. energy: 7.921 local terms energy: -568.395749 where: bonds (distance) C4'-P energy: -146.694 bonds (distance) P-C4' energy: -157.999 flat angles C4'-P-C4' energy: -139.164 flat angles P-C4'-P energy: -77.018 tors. eta vs tors. theta energy: -47.521 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: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -822.347084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.347084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.347084 (E_RNA) where: Base-Base interactions energy: -370.090 where: short stacking energy: -205.842 Base-Backbone interact. energy: 3.773 local terms energy: -456.029933 where: bonds (distance) C4'-P energy: -150.636 bonds (distance) P-C4' energy: -155.677 flat angles C4'-P-C4' energy: -131.901 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: 57.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3163.340492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.340492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.340492 (E_RNA) where: Base-Base interactions energy: -2185.309 where: short stacking energy: -942.732 Base-Backbone interact. energy: -4.880 local terms energy: -973.151273 where: bonds (distance) C4'-P energy: -191.493 bonds (distance) P-C4' energy: -187.248 flat angles C4'-P-C4' energy: -194.856 flat angles P-C4'-P energy: -117.761 tors. eta vs tors. theta energy: -281.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -3027.870902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.870902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.870902 (E_RNA) where: Base-Base interactions energy: -2104.425 where: short stacking energy: -934.590 Base-Backbone interact. energy: -4.036 local terms energy: -919.409729 where: bonds (distance) C4'-P energy: -189.452 bonds (distance) P-C4' energy: -168.169 flat angles C4'-P-C4' energy: -189.802 flat angles P-C4'-P energy: -115.827 tors. eta vs tors. theta energy: -256.159 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: 151 Temperature: 1.000000 Total energy: -2910.691381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.691381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.691381 (E_RNA) where: Base-Base interactions energy: -1983.501 where: short stacking energy: -848.148 Base-Backbone interact. energy: -2.595 local terms energy: -924.595930 where: bonds (distance) C4'-P energy: -187.458 bonds (distance) P-C4' energy: -168.074 flat angles C4'-P-C4' energy: -197.102 flat angles P-C4'-P energy: -131.745 tors. eta vs tors. theta energy: -240.218 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: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2544.812814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.812814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.812814 (E_RNA) where: Base-Base interactions energy: -1685.650 where: short stacking energy: -749.411 Base-Backbone interact. energy: -1.491 local terms energy: -857.672030 where: bonds (distance) C4'-P energy: -171.041 bonds (distance) P-C4' energy: -167.463 flat angles C4'-P-C4' energy: -201.644 flat angles P-C4'-P energy: -119.142 tors. eta vs tors. theta energy: -198.383 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: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2404.082430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.082430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.082430 (E_RNA) where: Base-Base interactions energy: -1659.511 where: short stacking energy: -720.863 Base-Backbone interact. energy: 4.088 local terms energy: -748.659687 where: bonds (distance) C4'-P energy: -164.894 bonds (distance) P-C4' energy: -149.100 flat angles C4'-P-C4' energy: -176.464 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -160.189 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: 151 Temperature: 1.150000 Total energy: -2254.336506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.336506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.336506 (E_RNA) where: Base-Base interactions energy: -1464.620 where: short stacking energy: -695.400 Base-Backbone interact. energy: 3.615 local terms energy: -793.332230 where: bonds (distance) C4'-P energy: -165.184 bonds (distance) P-C4' energy: -178.501 flat angles C4'-P-C4' energy: -169.237 flat angles P-C4'-P energy: -93.813 tors. eta vs tors. theta energy: -186.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1925.297628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.297628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.297628 (E_RNA) where: Base-Base interactions energy: -1243.324 where: short stacking energy: -592.225 Base-Backbone interact. energy: 2.860 local terms energy: -684.834078 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -159.114 flat angles C4'-P-C4' energy: -157.139 flat angles P-C4'-P energy: -91.345 tors. eta vs tors. theta energy: -117.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1439.368223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.368223 (E_RNA) where: Base-Base interactions energy: -832.037 where: short stacking energy: -440.547 Base-Backbone interact. energy: -3.709 local terms energy: -603.622398 where: bonds (distance) C4'-P energy: -146.748 bonds (distance) P-C4' energy: -163.956 flat angles C4'-P-C4' energy: -146.012 flat angles P-C4'-P energy: -81.965 tors. eta vs tors. theta energy: -64.942 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: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1380.679176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.679176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.679176 (E_RNA) where: Base-Base interactions energy: -840.651 where: short stacking energy: -370.869 Base-Backbone interact. energy: -1.461 local terms energy: -538.567655 where: bonds (distance) C4'-P energy: -122.024 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -145.099 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -26.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -793.562603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.562603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.562603 (E_RNA) where: Base-Base interactions energy: -361.297 where: short stacking energy: -243.601 Base-Backbone interact. energy: 1.284 local terms energy: -433.550185 where: bonds (distance) C4'-P energy: -141.416 bonds (distance) P-C4' energy: -123.463 flat angles C4'-P-C4' energy: -129.328 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: 32.428 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: 152 Temperature: 0.900000 Total energy: -3171.223117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.223117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.223117 (E_RNA) where: Base-Base interactions energy: -2146.342 where: short stacking energy: -947.499 Base-Backbone interact. energy: -6.017 local terms energy: -1018.863844 where: bonds (distance) C4'-P energy: -179.815 bonds (distance) P-C4' energy: -213.083 flat angles C4'-P-C4' energy: -207.892 flat angles P-C4'-P energy: -134.888 tors. eta vs tors. theta energy: -283.186 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: 152 Temperature: 0.950000 Total energy: -2991.317402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.317402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.317402 (E_RNA) where: Base-Base interactions energy: -2038.009 where: short stacking energy: -879.748 Base-Backbone interact. energy: -5.524 local terms energy: -947.783811 where: bonds (distance) C4'-P energy: -177.387 bonds (distance) P-C4' energy: -178.076 flat angles C4'-P-C4' energy: -205.563 flat angles P-C4'-P energy: -134.368 tors. eta vs tors. theta energy: -252.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2894.711216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.711216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.711216 (E_RNA) where: Base-Base interactions energy: -2001.959 where: short stacking energy: -828.703 Base-Backbone interact. energy: -3.032 local terms energy: -889.720064 where: bonds (distance) C4'-P energy: -158.652 bonds (distance) P-C4' energy: -175.862 flat angles C4'-P-C4' energy: -201.227 flat angles P-C4'-P energy: -126.956 tors. eta vs tors. theta energy: -227.024 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: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2563.028258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.028258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.028258 (E_RNA) where: Base-Base interactions energy: -1763.788 where: short stacking energy: -798.332 Base-Backbone interact. energy: -3.205 local terms energy: -796.034904 where: bonds (distance) C4'-P energy: -153.764 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -198.316 flat angles P-C4'-P energy: -113.812 tors. eta vs tors. theta energy: -193.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2330.183611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.183611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.183611 (E_RNA) where: Base-Base interactions energy: -1581.069 where: short stacking energy: -658.423 Base-Backbone interact. energy: -4.305 local terms energy: -744.809045 where: bonds (distance) C4'-P energy: -150.284 bonds (distance) P-C4' energy: -175.024 flat angles C4'-P-C4' energy: -175.120 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -150.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2184.864865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.864865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.864865 (E_RNA) where: Base-Base interactions energy: -1405.462 where: short stacking energy: -658.796 Base-Backbone interact. energy: -1.788 local terms energy: -777.615008 where: bonds (distance) C4'-P energy: -175.239 bonds (distance) P-C4' energy: -162.102 flat angles C4'-P-C4' energy: -161.470 flat angles P-C4'-P energy: -116.407 tors. eta vs tors. theta energy: -162.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1856.053200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.053200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.053200 (E_RNA) where: Base-Base interactions energy: -1223.666 where: short stacking energy: -554.134 Base-Backbone interact. energy: -0.400 local terms energy: -631.987174 where: bonds (distance) C4'-P energy: -145.253 bonds (distance) P-C4' energy: -154.370 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -101.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1435.557160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.557160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.557160 (E_RNA) where: Base-Base interactions energy: -825.205 where: short stacking energy: -373.644 Base-Backbone interact. energy: -4.520 local terms energy: -605.831992 where: bonds (distance) C4'-P energy: -162.079 bonds (distance) P-C4' energy: -174.936 flat angles C4'-P-C4' energy: -147.928 flat angles P-C4'-P energy: -85.753 tors. eta vs tors. theta energy: -35.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1339.830503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.830503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.830503 (E_RNA) where: Base-Base interactions energy: -816.034 where: short stacking energy: -371.759 Base-Backbone interact. energy: -0.366 local terms energy: -523.430595 where: bonds (distance) C4'-P energy: -130.667 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -132.630 flat angles P-C4'-P energy: -97.956 tors. eta vs tors. theta energy: -33.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -746.288111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.288111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.288111 (E_RNA) where: Base-Base interactions energy: -335.082 where: short stacking energy: -237.065 Base-Backbone interact. energy: -4.804 local terms energy: -406.402217 where: bonds (distance) C4'-P energy: -111.447 bonds (distance) P-C4' energy: -145.023 flat angles C4'-P-C4' energy: -96.756 flat angles P-C4'-P energy: -62.767 tors. eta vs tors. theta energy: 9.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3184.691743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.691743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.691743 (E_RNA) where: Base-Base interactions energy: -2165.716 where: short stacking energy: -956.273 Base-Backbone interact. energy: -2.386 local terms energy: -1016.589644 where: bonds (distance) C4'-P energy: -185.099 bonds (distance) P-C4' energy: -204.941 flat angles C4'-P-C4' energy: -213.447 flat angles P-C4'-P energy: -143.486 tors. eta vs tors. theta energy: -269.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -3044.963122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.963122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.963122 (E_RNA) where: Base-Base interactions energy: -2101.832 where: short stacking energy: -900.340 Base-Backbone interact. energy: -5.035 local terms energy: -938.096177 where: bonds (distance) C4'-P energy: -184.651 bonds (distance) P-C4' energy: -167.642 flat angles C4'-P-C4' energy: -202.408 flat angles P-C4'-P energy: -132.388 tors. eta vs tors. theta energy: -251.007 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: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2933.589839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.589839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.589839 (E_RNA) where: Base-Base interactions energy: -1999.996 where: short stacking energy: -891.783 Base-Backbone interact. energy: -4.111 local terms energy: -929.482789 where: bonds (distance) C4'-P energy: -158.464 bonds (distance) P-C4' energy: -190.496 flat angles C4'-P-C4' energy: -200.341 flat angles P-C4'-P energy: -132.723 tors. eta vs tors. theta energy: -247.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2588.771297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.771297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.771297 (E_RNA) where: Base-Base interactions energy: -1725.962 where: short stacking energy: -775.613 Base-Backbone interact. energy: -7.917 local terms energy: -854.891939 where: bonds (distance) C4'-P energy: -160.986 bonds (distance) P-C4' energy: -180.164 flat angles C4'-P-C4' energy: -188.878 flat angles P-C4'-P energy: -118.238 tors. eta vs tors. theta energy: -206.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2390.566609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.566609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.566609 (E_RNA) where: Base-Base interactions energy: -1585.914 where: short stacking energy: -707.312 Base-Backbone interact. energy: -3.607 local terms energy: -801.045470 where: bonds (distance) C4'-P energy: -163.056 bonds (distance) P-C4' energy: -189.293 flat angles C4'-P-C4' energy: -161.133 flat angles P-C4'-P energy: -114.243 tors. eta vs tors. theta energy: -173.320 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: 6, replica: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2274.124265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.124265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.124265 (E_RNA) where: Base-Base interactions energy: -1520.561 where: short stacking energy: -710.533 Base-Backbone interact. energy: -0.245 local terms energy: -753.318538 where: bonds (distance) C4'-P energy: -137.226 bonds (distance) P-C4' energy: -139.696 flat angles C4'-P-C4' energy: -187.538 flat angles P-C4'-P energy: -100.492 tors. eta vs tors. theta energy: -188.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1896.270754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.270754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.270754 (E_RNA) where: Base-Base interactions energy: -1198.134 where: short stacking energy: -538.414 Base-Backbone interact. energy: -1.297 local terms energy: -696.839971 where: bonds (distance) C4'-P energy: -137.443 bonds (distance) P-C4' energy: -179.789 flat angles C4'-P-C4' energy: -163.102 flat angles P-C4'-P energy: -103.039 tors. eta vs tors. theta energy: -113.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1454.469637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.469637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.469637 (E_RNA) where: Base-Base interactions energy: -830.939 where: short stacking energy: -431.010 Base-Backbone interact. energy: 1.637 local terms energy: -625.167789 where: bonds (distance) C4'-P energy: -146.250 bonds (distance) P-C4' energy: -164.711 flat angles C4'-P-C4' energy: -171.714 flat angles P-C4'-P energy: -80.598 tors. eta vs tors. theta energy: -61.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1364.385119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.385119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.385119 (E_RNA) where: Base-Base interactions energy: -790.167 where: short stacking energy: -375.752 Base-Backbone interact. energy: 2.401 local terms energy: -576.618896 where: bonds (distance) C4'-P energy: -165.789 bonds (distance) P-C4' energy: -149.878 flat angles C4'-P-C4' energy: -151.274 flat angles P-C4'-P energy: -72.152 tors. eta vs tors. theta energy: -37.526 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: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -784.646518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.646518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.646518 (E_RNA) where: Base-Base interactions energy: -380.271 where: short stacking energy: -260.071 Base-Backbone interact. energy: 1.291 local terms energy: -405.666786 where: bonds (distance) C4'-P energy: -131.606 bonds (distance) P-C4' energy: -152.018 flat angles C4'-P-C4' energy: -109.189 flat angles P-C4'-P energy: -40.967 tors. eta vs tors. theta energy: 28.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3186.526944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.526944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.526944 (E_RNA) where: Base-Base interactions energy: -2188.684 where: short stacking energy: -964.899 Base-Backbone interact. energy: -9.266 local terms energy: -988.577179 where: bonds (distance) C4'-P energy: -192.695 bonds (distance) P-C4' energy: -181.077 flat angles C4'-P-C4' energy: -200.418 flat angles P-C4'-P energy: -133.986 tors. eta vs tors. theta energy: -280.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -3084.290101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.290101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.290101 (E_RNA) where: Base-Base interactions energy: -2159.013 where: short stacking energy: -909.306 Base-Backbone interact. energy: -2.407 local terms energy: -922.870066 where: bonds (distance) C4'-P energy: -164.035 bonds (distance) P-C4' energy: -169.446 flat angles C4'-P-C4' energy: -202.597 flat angles P-C4'-P energy: -127.240 tors. eta vs tors. theta energy: -259.552 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: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2952.339638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.339638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.339638 (E_RNA) where: Base-Base interactions energy: -2025.279 where: short stacking energy: -867.893 Base-Backbone interact. energy: -4.742 local terms energy: -922.318381 where: bonds (distance) C4'-P energy: -174.125 bonds (distance) P-C4' energy: -165.579 flat angles C4'-P-C4' energy: -202.157 flat angles P-C4'-P energy: -129.964 tors. eta vs tors. theta energy: -250.493 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: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2609.055342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.055342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.055342 (E_RNA) where: Base-Base interactions energy: -1751.668 where: short stacking energy: -790.729 Base-Backbone interact. energy: -1.710 local terms energy: -855.677905 where: bonds (distance) C4'-P energy: -151.973 bonds (distance) P-C4' energy: -169.663 flat angles C4'-P-C4' energy: -192.842 flat angles P-C4'-P energy: -134.948 tors. eta vs tors. theta energy: -206.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2330.108336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.108336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.108336 (E_RNA) where: Base-Base interactions energy: -1572.431 where: short stacking energy: -677.672 Base-Backbone interact. energy: 3.487 local terms energy: -761.164538 where: bonds (distance) C4'-P energy: -163.897 bonds (distance) P-C4' energy: -158.446 flat angles C4'-P-C4' energy: -178.386 flat angles P-C4'-P energy: -109.817 tors. eta vs tors. theta energy: -150.619 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: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2228.854859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.854859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.854859 (E_RNA) where: Base-Base interactions energy: -1472.215 where: short stacking energy: -688.423 Base-Backbone interact. energy: -2.813 local terms energy: -753.826464 where: bonds (distance) C4'-P energy: -153.256 bonds (distance) P-C4' energy: -145.891 flat angles C4'-P-C4' energy: -167.267 flat angles P-C4'-P energy: -107.748 tors. eta vs tors. theta energy: -179.664 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: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1888.497218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.497218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.497218 (E_RNA) where: Base-Base interactions energy: -1214.268 where: short stacking energy: -589.591 Base-Backbone interact. energy: 0.238 local terms energy: -674.466786 where: bonds (distance) C4'-P energy: -148.647 bonds (distance) P-C4' energy: -151.221 flat angles C4'-P-C4' energy: -166.247 flat angles P-C4'-P energy: -94.616 tors. eta vs tors. theta energy: -113.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1462.787012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.787012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.787012 (E_RNA) where: Base-Base interactions energy: -863.007 where: short stacking energy: -426.406 Base-Backbone interact. energy: 4.764 local terms energy: -604.543498 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -171.706 flat angles C4'-P-C4' energy: -152.417 flat angles P-C4'-P energy: -87.762 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: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1360.567121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.567121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.567121 (E_RNA) where: Base-Base interactions energy: -758.269 where: short stacking energy: -369.244 Base-Backbone interact. energy: -0.832 local terms energy: -601.466447 where: bonds (distance) C4'-P energy: -165.829 bonds (distance) P-C4' energy: -178.309 flat angles C4'-P-C4' energy: -134.184 flat angles P-C4'-P energy: -81.580 tors. eta vs tors. theta energy: -41.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -801.608448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.608448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.608448 (E_RNA) where: Base-Base interactions energy: -318.094 where: short stacking energy: -214.055 Base-Backbone interact. energy: -1.386 local terms energy: -482.128105 where: bonds (distance) C4'-P energy: -150.351 bonds (distance) P-C4' energy: -145.025 flat angles C4'-P-C4' energy: -131.974 flat angles P-C4'-P energy: -87.922 tors. eta vs tors. theta energy: 33.143 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: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3169.574763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.574763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.574763 (E_RNA) where: Base-Base interactions energy: -2173.687 where: short stacking energy: -930.004 Base-Backbone interact. energy: -7.092 local terms energy: -988.795022 where: bonds (distance) C4'-P energy: -188.070 bonds (distance) P-C4' energy: -177.486 flat angles C4'-P-C4' energy: -210.290 flat angles P-C4'-P energy: -134.373 tors. eta vs tors. theta energy: -278.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -3036.341952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.341952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.341952 (E_RNA) where: Base-Base interactions energy: -2098.599 where: short stacking energy: -910.415 Base-Backbone interact. energy: -7.815 local terms energy: -929.927808 where: bonds (distance) C4'-P energy: -165.077 bonds (distance) P-C4' energy: -177.008 flat angles C4'-P-C4' energy: -200.194 flat angles P-C4'-P energy: -125.848 tors. eta vs tors. theta energy: -261.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2999.840719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.840719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.840719 (E_RNA) where: Base-Base interactions energy: -2053.098 where: short stacking energy: -867.726 Base-Backbone interact. energy: -2.972 local terms energy: -943.770553 where: bonds (distance) C4'-P energy: -179.214 bonds (distance) P-C4' energy: -176.961 flat angles C4'-P-C4' energy: -204.437 flat angles P-C4'-P energy: -124.511 tors. eta vs tors. theta energy: -258.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2633.622041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.622041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.622041 (E_RNA) where: Base-Base interactions energy: -1758.131 where: short stacking energy: -814.837 Base-Backbone interact. energy: -4.913 local terms energy: -870.578542 where: bonds (distance) C4'-P energy: -169.409 bonds (distance) P-C4' energy: -164.185 flat angles C4'-P-C4' energy: -201.651 flat angles P-C4'-P energy: -130.756 tors. eta vs tors. theta energy: -204.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2362.678660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.678660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.678660 (E_RNA) where: Base-Base interactions energy: -1541.666 where: short stacking energy: -696.050 Base-Backbone interact. energy: -6.604 local terms energy: -814.408950 where: bonds (distance) C4'-P energy: -167.793 bonds (distance) P-C4' energy: -167.294 flat angles C4'-P-C4' energy: -174.822 flat angles P-C4'-P energy: -129.040 tors. eta vs tors. theta energy: -175.460 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: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2255.621998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.621998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.621998 (E_RNA) where: Base-Base interactions energy: -1505.066 where: short stacking energy: -703.546 Base-Backbone interact. energy: -0.714 local terms energy: -749.842332 where: bonds (distance) C4'-P energy: -151.819 bonds (distance) P-C4' energy: -153.679 flat angles C4'-P-C4' energy: -166.107 flat angles P-C4'-P energy: -96.052 tors. eta vs tors. theta energy: -182.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1895.615052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.615052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.615052 (E_RNA) where: Base-Base interactions energy: -1191.820 where: short stacking energy: -541.884 Base-Backbone interact. energy: -3.438 local terms energy: -700.357386 where: bonds (distance) C4'-P energy: -170.172 bonds (distance) P-C4' energy: -167.912 flat angles C4'-P-C4' energy: -151.700 flat angles P-C4'-P energy: -101.383 tors. eta vs tors. theta energy: -109.190 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: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1455.023507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.023507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.023507 (E_RNA) where: Base-Base interactions energy: -876.570 where: short stacking energy: -440.541 Base-Backbone interact. energy: 3.884 local terms energy: -582.336653 where: bonds (distance) C4'-P energy: -137.931 bonds (distance) P-C4' energy: -142.058 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -103.759 tors. eta vs tors. theta energy: -47.361 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: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1329.468213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.468213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.468213 (E_RNA) where: Base-Base interactions energy: -781.075 where: short stacking energy: -391.538 Base-Backbone interact. energy: 1.987 local terms energy: -550.380561 where: bonds (distance) C4'-P energy: -131.952 bonds (distance) P-C4' energy: -169.148 flat angles C4'-P-C4' energy: -130.692 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -36.091 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: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -813.979640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.979640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.979640 (E_RNA) where: Base-Base interactions energy: -347.976 where: short stacking energy: -209.642 Base-Backbone interact. energy: 0.477 local terms energy: -466.481178 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -155.288 flat angles C4'-P-C4' energy: -128.731 flat angles P-C4'-P energy: -83.558 tors. eta vs tors. theta energy: 36.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3171.551863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.551863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.551863 (E_RNA) where: Base-Base interactions energy: -2192.959 where: short stacking energy: -946.931 Base-Backbone interact. energy: -6.082 local terms energy: -972.510373 where: bonds (distance) C4'-P energy: -160.561 bonds (distance) P-C4' energy: -194.035 flat angles C4'-P-C4' energy: -203.524 flat angles P-C4'-P energy: -138.966 tors. eta vs tors. theta energy: -275.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -3032.627221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.627221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.627221 (E_RNA) where: Base-Base interactions energy: -2078.529 where: short stacking energy: -905.516 Base-Backbone interact. energy: -5.971 local terms energy: -948.128058 where: bonds (distance) C4'-P energy: -179.204 bonds (distance) P-C4' energy: -172.326 flat angles C4'-P-C4' energy: -202.757 flat angles P-C4'-P energy: -130.137 tors. eta vs tors. theta energy: -263.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2951.959084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.959084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.959084 (E_RNA) where: Base-Base interactions energy: -2029.090 where: short stacking energy: -883.318 Base-Backbone interact. energy: -2.496 local terms energy: -920.373237 where: bonds (distance) C4'-P energy: -179.597 bonds (distance) P-C4' energy: -172.874 flat angles C4'-P-C4' energy: -192.936 flat angles P-C4'-P energy: -124.117 tors. eta vs tors. theta energy: -250.849 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: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2577.301017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.301017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.301017 (E_RNA) where: Base-Base interactions energy: -1736.994 where: short stacking energy: -750.204 Base-Backbone interact. energy: -0.803 local terms energy: -839.503623 where: bonds (distance) C4'-P energy: -161.683 bonds (distance) P-C4' energy: -170.002 flat angles C4'-P-C4' energy: -194.963 flat angles P-C4'-P energy: -103.409 tors. eta vs tors. theta energy: -209.446 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: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2375.730070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.730070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.730070 (E_RNA) where: Base-Base interactions energy: -1605.288 where: short stacking energy: -674.216 Base-Backbone interact. energy: -4.635 local terms energy: -765.807397 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -174.542 flat angles C4'-P-C4' energy: -165.384 flat angles P-C4'-P energy: -104.631 tors. eta vs tors. theta energy: -171.332 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: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2261.077682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.077682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.077682 (E_RNA) where: Base-Base interactions energy: -1473.832 where: short stacking energy: -724.736 Base-Backbone interact. energy: -1.644 local terms energy: -785.601147 where: bonds (distance) C4'-P energy: -150.584 bonds (distance) P-C4' energy: -161.300 flat angles C4'-P-C4' energy: -165.934 flat angles P-C4'-P energy: -113.073 tors. eta vs tors. theta energy: -194.710 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: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1895.067531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.067531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.067531 (E_RNA) where: Base-Base interactions energy: -1260.759 where: short stacking energy: -574.556 Base-Backbone interact. energy: -0.149 local terms energy: -634.159613 where: bonds (distance) C4'-P energy: -135.112 bonds (distance) P-C4' energy: -140.062 flat angles C4'-P-C4' energy: -149.233 flat angles P-C4'-P energy: -94.721 tors. eta vs tors. theta energy: -115.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1406.019562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.019562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.019562 (E_RNA) where: Base-Base interactions energy: -830.076 where: short stacking energy: -401.769 Base-Backbone interact. energy: 0.007 local terms energy: -575.950592 where: bonds (distance) C4'-P energy: -144.574 bonds (distance) P-C4' energy: -151.499 flat angles C4'-P-C4' energy: -141.705 flat angles P-C4'-P energy: -93.951 tors. eta vs tors. theta energy: -44.221 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: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1325.376046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.376046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.376046 (E_RNA) where: Base-Base interactions energy: -831.325 where: short stacking energy: -400.058 Base-Backbone interact. energy: 3.976 local terms energy: -498.027226 where: bonds (distance) C4'-P energy: -111.381 bonds (distance) P-C4' energy: -128.680 flat angles C4'-P-C4' energy: -142.032 flat angles P-C4'-P energy: -86.491 tors. eta vs tors. theta energy: -29.444 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: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -824.327588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.327588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.327588 (E_RNA) where: Base-Base interactions energy: -328.321 where: short stacking energy: -207.933 Base-Backbone interact. energy: 2.454 local terms energy: -498.460758 where: bonds (distance) C4'-P energy: -139.080 bonds (distance) P-C4' energy: -172.574 flat angles C4'-P-C4' energy: -131.541 flat angles P-C4'-P energy: -68.391 tors. eta vs tors. theta energy: 13.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3179.014919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.014919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.014919 (E_RNA) where: Base-Base interactions energy: -2172.090 where: short stacking energy: -935.033 Base-Backbone interact. energy: -3.756 local terms energy: -1003.168661 where: bonds (distance) C4'-P energy: -196.181 bonds (distance) P-C4' energy: -176.123 flat angles C4'-P-C4' energy: -213.135 flat angles P-C4'-P energy: -144.232 tors. eta vs tors. theta energy: -273.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -3017.496239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.496239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.496239 (E_RNA) where: Base-Base interactions energy: -2096.312 where: short stacking energy: -907.670 Base-Backbone interact. energy: -2.990 local terms energy: -918.194606 where: bonds (distance) C4'-P energy: -150.444 bonds (distance) P-C4' energy: -170.641 flat angles C4'-P-C4' energy: -212.780 flat angles P-C4'-P energy: -132.575 tors. eta vs tors. theta energy: -251.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2949.370082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.370082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.370082 (E_RNA) where: Base-Base interactions energy: -2030.863 where: short stacking energy: -877.421 Base-Backbone interact. energy: -1.080 local terms energy: -917.427320 where: bonds (distance) C4'-P energy: -157.590 bonds (distance) P-C4' energy: -176.107 flat angles C4'-P-C4' energy: -194.502 flat angles P-C4'-P energy: -138.498 tors. eta vs tors. theta energy: -250.731 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: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2624.976671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.976671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.976671 (E_RNA) where: Base-Base interactions energy: -1777.514 where: short stacking energy: -836.328 Base-Backbone interact. energy: -4.063 local terms energy: -843.399789 where: bonds (distance) C4'-P energy: -156.672 bonds (distance) P-C4' energy: -157.259 flat angles C4'-P-C4' energy: -192.676 flat angles P-C4'-P energy: -128.200 tors. eta vs tors. theta energy: -208.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2332.042543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.042543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.042543 (E_RNA) where: Base-Base interactions energy: -1541.703 where: short stacking energy: -652.071 Base-Backbone interact. energy: 0.638 local terms energy: -790.978374 where: bonds (distance) C4'-P energy: -158.301 bonds (distance) P-C4' energy: -162.738 flat angles C4'-P-C4' energy: -188.687 flat angles P-C4'-P energy: -122.023 tors. eta vs tors. theta energy: -159.230 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: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2238.064791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.064791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.064791 (E_RNA) where: Base-Base interactions energy: -1430.928 where: short stacking energy: -663.690 Base-Backbone interact. energy: -4.126 local terms energy: -803.011018 where: bonds (distance) C4'-P energy: -156.620 bonds (distance) P-C4' energy: -183.111 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -108.769 tors. eta vs tors. theta energy: -174.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1917.557843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.557843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.557843 (E_RNA) where: Base-Base interactions energy: -1213.048 where: short stacking energy: -588.529 Base-Backbone interact. energy: -3.406 local terms energy: -701.104465 where: bonds (distance) C4'-P energy: -145.405 bonds (distance) P-C4' energy: -149.174 flat angles C4'-P-C4' energy: -179.186 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -123.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1455.294692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.294692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.294692 (E_RNA) where: Base-Base interactions energy: -858.917 where: short stacking energy: -424.415 Base-Backbone interact. energy: -4.189 local terms energy: -592.188882 where: bonds (distance) C4'-P energy: -160.658 bonds (distance) P-C4' energy: -150.866 flat angles C4'-P-C4' energy: -133.750 flat angles P-C4'-P energy: -85.104 tors. eta vs tors. theta energy: -61.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1253.307049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.307049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.307049 (E_RNA) where: Base-Base interactions energy: -725.078 where: short stacking energy: -382.359 Base-Backbone interact. energy: 2.368 local terms energy: -530.597706 where: bonds (distance) C4'-P energy: -121.764 bonds (distance) P-C4' energy: -148.456 flat angles C4'-P-C4' energy: -126.777 flat angles P-C4'-P energy: -95.480 tors. eta vs tors. theta energy: -38.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -782.004225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.004225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.004225 (E_RNA) where: Base-Base interactions energy: -330.137 where: short stacking energy: -241.635 Base-Backbone interact. energy: 7.108 local terms energy: -458.975275 where: bonds (distance) C4'-P energy: -152.041 bonds (distance) P-C4' energy: -144.300 flat angles C4'-P-C4' energy: -105.691 flat angles P-C4'-P energy: -82.622 tors. eta vs tors. theta energy: 25.678 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: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3167.876779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.876779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.876779 (E_RNA) where: Base-Base interactions energy: -2190.181 where: short stacking energy: -953.850 Base-Backbone interact. energy: -6.034 local terms energy: -971.661635 where: bonds (distance) C4'-P energy: -168.165 bonds (distance) P-C4' energy: -182.659 flat angles C4'-P-C4' energy: -211.255 flat angles P-C4'-P energy: -138.782 tors. eta vs tors. theta energy: -270.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -3006.138620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.138620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.138620 (E_RNA) where: Base-Base interactions energy: -2096.627 where: short stacking energy: -912.409 Base-Backbone interact. energy: -2.921 local terms energy: -906.591318 where: bonds (distance) C4'-P energy: -162.803 bonds (distance) P-C4' energy: -162.054 flat angles C4'-P-C4' energy: -199.368 flat angles P-C4'-P energy: -134.776 tors. eta vs tors. theta energy: -247.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2964.912990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.912990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.912990 (E_RNA) where: Base-Base interactions energy: -2050.046 where: short stacking energy: -889.024 Base-Backbone interact. energy: -4.160 local terms energy: -910.707301 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -170.631 flat angles C4'-P-C4' energy: -214.568 flat angles P-C4'-P energy: -135.901 tors. eta vs tors. theta energy: -235.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2599.233718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.233718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.233718 (E_RNA) where: Base-Base interactions energy: -1754.391 where: short stacking energy: -757.823 Base-Backbone interact. energy: -5.403 local terms energy: -839.439620 where: bonds (distance) C4'-P energy: -153.195 bonds (distance) P-C4' energy: -163.575 flat angles C4'-P-C4' energy: -209.819 flat angles P-C4'-P energy: -119.549 tors. eta vs tors. theta energy: -193.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2369.160615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.160615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.160615 (E_RNA) where: Base-Base interactions energy: -1586.944 where: short stacking energy: -682.780 Base-Backbone interact. energy: 2.296 local terms energy: -784.513240 where: bonds (distance) C4'-P energy: -156.460 bonds (distance) P-C4' energy: -178.252 flat angles C4'-P-C4' energy: -168.935 flat angles P-C4'-P energy: -126.347 tors. eta vs tors. theta energy: -154.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2190.664417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.664417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.664417 (E_RNA) where: Base-Base interactions energy: -1415.928 where: short stacking energy: -663.854 Base-Backbone interact. energy: -1.965 local terms energy: -772.771541 where: bonds (distance) C4'-P energy: -149.672 bonds (distance) P-C4' energy: -165.660 flat angles C4'-P-C4' energy: -186.861 flat angles P-C4'-P energy: -107.577 tors. eta vs tors. theta energy: -163.002 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: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1900.279009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.279009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.279009 (E_RNA) where: Base-Base interactions energy: -1226.822 where: short stacking energy: -565.826 Base-Backbone interact. energy: -0.910 local terms energy: -672.547290 where: bonds (distance) C4'-P energy: -163.556 bonds (distance) P-C4' energy: -150.921 flat angles C4'-P-C4' energy: -142.798 flat angles P-C4'-P energy: -110.752 tors. eta vs tors. theta energy: -104.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1583.645837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.645837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.645837 (E_RNA) where: Base-Base interactions energy: -934.963 where: short stacking energy: -500.002 Base-Backbone interact. energy: -5.245 local terms energy: -643.438454 where: bonds (distance) C4'-P energy: -130.522 bonds (distance) P-C4' energy: -166.422 flat angles C4'-P-C4' energy: -160.539 flat angles P-C4'-P energy: -93.197 tors. eta vs tors. theta energy: -92.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1248.572780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.572780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.572780 (E_RNA) where: Base-Base interactions energy: -689.368 where: short stacking energy: -352.605 Base-Backbone interact. energy: -0.755 local terms energy: -558.449637 where: bonds (distance) C4'-P energy: -159.477 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -139.775 flat angles P-C4'-P energy: -92.437 tors. eta vs tors. theta energy: -20.949 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: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -779.083681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.083681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.083681 (E_RNA) where: Base-Base interactions energy: -342.761 where: short stacking energy: -231.812 Base-Backbone interact. energy: 9.051 local terms energy: -445.373911 where: bonds (distance) C4'-P energy: -135.196 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -117.484 flat angles P-C4'-P energy: -83.046 tors. eta vs tors. theta energy: 31.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3185.363361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.363361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.363361 (E_RNA) where: Base-Base interactions energy: -2206.206 where: short stacking energy: -960.500 Base-Backbone interact. energy: -7.864 local terms energy: -971.292648 where: bonds (distance) C4'-P energy: -172.707 bonds (distance) P-C4' energy: -190.338 flat angles C4'-P-C4' energy: -186.755 flat angles P-C4'-P energy: -136.073 tors. eta vs tors. theta energy: -285.419 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: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -3032.393089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.393089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.393089 (E_RNA) where: Base-Base interactions energy: -2105.471 where: short stacking energy: -915.670 Base-Backbone interact. energy: -4.371 local terms energy: -922.551134 where: bonds (distance) C4'-P energy: -162.404 bonds (distance) P-C4' energy: -181.421 flat angles C4'-P-C4' energy: -190.402 flat angles P-C4'-P energy: -133.289 tors. eta vs tors. theta energy: -255.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2960.086199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.086199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.086199 (E_RNA) where: Base-Base interactions energy: -2017.655 where: short stacking energy: -865.494 Base-Backbone interact. energy: -4.139 local terms energy: -938.291829 where: bonds (distance) C4'-P energy: -168.476 bonds (distance) P-C4' energy: -185.819 flat angles C4'-P-C4' energy: -205.718 flat angles P-C4'-P energy: -119.293 tors. eta vs tors. theta energy: -258.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2704.008617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.008617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.008617 (E_RNA) where: Base-Base interactions energy: -1818.318 where: short stacking energy: -805.802 Base-Backbone interact. energy: -3.487 local terms energy: -882.203982 where: bonds (distance) C4'-P energy: -176.730 bonds (distance) P-C4' energy: -160.337 flat angles C4'-P-C4' energy: -200.360 flat angles P-C4'-P energy: -116.687 tors. eta vs tors. theta energy: -228.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2315.025571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.025571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.025571 (E_RNA) where: Base-Base interactions energy: -1546.196 where: short stacking energy: -658.708 Base-Backbone interact. energy: -5.952 local terms energy: -762.876965 where: bonds (distance) C4'-P energy: -163.701 bonds (distance) P-C4' energy: -184.085 flat angles C4'-P-C4' energy: -176.048 flat angles P-C4'-P energy: -98.832 tors. eta vs tors. theta energy: -140.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2180.802423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.802423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.802423 (E_RNA) where: Base-Base interactions energy: -1399.248 where: short stacking energy: -666.768 Base-Backbone interact. energy: 0.009 local terms energy: -781.563076 where: bonds (distance) C4'-P energy: -172.107 bonds (distance) P-C4' energy: -186.525 flat angles C4'-P-C4' energy: -159.488 flat angles P-C4'-P energy: -96.535 tors. eta vs tors. theta energy: -166.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1954.632685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.632685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.632685 (E_RNA) where: Base-Base interactions energy: -1253.149 where: short stacking energy: -567.031 Base-Backbone interact. energy: -1.643 local terms energy: -699.840393 where: bonds (distance) C4'-P energy: -157.666 bonds (distance) P-C4' energy: -152.128 flat angles C4'-P-C4' energy: -168.978 flat angles P-C4'-P energy: -109.563 tors. eta vs tors. theta energy: -111.505 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: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1594.020432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.020432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.020432 (E_RNA) where: Base-Base interactions energy: -967.262 where: short stacking energy: -468.803 Base-Backbone interact. energy: 1.984 local terms energy: -628.742762 where: bonds (distance) C4'-P energy: -133.742 bonds (distance) P-C4' energy: -169.845 flat angles C4'-P-C4' energy: -161.664 flat angles P-C4'-P energy: -96.903 tors. eta vs tors. theta energy: -66.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1287.425915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.425915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.425915 (E_RNA) where: Base-Base interactions energy: -766.303 where: short stacking energy: -359.666 Base-Backbone interact. energy: 1.587 local terms energy: -522.709769 where: bonds (distance) C4'-P energy: -126.082 bonds (distance) P-C4' energy: -159.544 flat angles C4'-P-C4' energy: -137.012 flat angles P-C4'-P energy: -57.330 tors. eta vs tors. theta energy: -42.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -787.032185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.032185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.032185 (E_RNA) where: Base-Base interactions energy: -323.268 where: short stacking energy: -226.893 Base-Backbone interact. energy: 3.347 local terms energy: -467.111054 where: bonds (distance) C4'-P energy: -145.271 bonds (distance) P-C4' energy: -139.199 flat angles C4'-P-C4' energy: -133.912 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: 13.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3203.829109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.829109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.829109 (E_RNA) where: Base-Base interactions energy: -2194.515 where: short stacking energy: -974.229 Base-Backbone interact. energy: 0.390 local terms energy: -1009.703785 where: bonds (distance) C4'-P energy: -178.142 bonds (distance) P-C4' energy: -203.584 flat angles C4'-P-C4' energy: -205.776 flat angles P-C4'-P energy: -135.106 tors. eta vs tors. theta energy: -287.096 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: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -3041.911716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.911716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.911716 (E_RNA) where: Base-Base interactions energy: -2089.032 where: short stacking energy: -895.402 Base-Backbone interact. energy: -5.984 local terms energy: -946.895481 where: bonds (distance) C4'-P energy: -170.681 bonds (distance) P-C4' energy: -179.902 flat angles C4'-P-C4' energy: -208.030 flat angles P-C4'-P energy: -133.264 tors. eta vs tors. theta energy: -255.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2916.730857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.730857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.730857 (E_RNA) where: Base-Base interactions energy: -2013.394 where: short stacking energy: -891.868 Base-Backbone interact. energy: -5.887 local terms energy: -897.449825 where: bonds (distance) C4'-P energy: -175.059 bonds (distance) P-C4' energy: -178.569 flat angles C4'-P-C4' energy: -198.483 flat angles P-C4'-P energy: -113.978 tors. eta vs tors. theta energy: -231.361 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: 160 Temperature: 1.050000 Total energy: -2642.462109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.462109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.462109 (E_RNA) where: Base-Base interactions energy: -1807.421 where: short stacking energy: -802.119 Base-Backbone interact. energy: -4.386 local terms energy: -830.654980 where: bonds (distance) C4'-P energy: -161.890 bonds (distance) P-C4' energy: -159.557 flat angles C4'-P-C4' energy: -185.291 flat angles P-C4'-P energy: -135.882 tors. eta vs tors. theta energy: -188.036 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2378.327952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.327952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.327952 (E_RNA) where: Base-Base interactions energy: -1612.094 where: short stacking energy: -689.450 Base-Backbone interact. energy: -3.893 local terms energy: -762.340647 where: bonds (distance) C4'-P energy: -158.721 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -182.569 flat angles P-C4'-P energy: -116.072 tors. eta vs tors. theta energy: -147.785 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: 160 Temperature: 1.150000 Total energy: -2117.830210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.830210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.830210 (E_RNA) where: Base-Base interactions energy: -1359.089 where: short stacking energy: -644.085 Base-Backbone interact. energy: -3.013 local terms energy: -755.727932 where: bonds (distance) C4'-P energy: -171.223 bonds (distance) P-C4' energy: -155.496 flat angles C4'-P-C4' energy: -174.702 flat angles P-C4'-P energy: -97.793 tors. eta vs tors. theta energy: -156.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1923.525844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.525844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.525844 (E_RNA) where: Base-Base interactions energy: -1236.396 where: short stacking energy: -560.129 Base-Backbone interact. energy: -4.620 local terms energy: -682.509446 where: bonds (distance) C4'-P energy: -156.152 bonds (distance) P-C4' energy: -159.051 flat angles C4'-P-C4' energy: -167.517 flat angles P-C4'-P energy: -87.652 tors. eta vs tors. theta energy: -112.137 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: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1516.784120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.784120 (E_RNA) where: Base-Base interactions energy: -934.409 where: short stacking energy: -467.778 Base-Backbone interact. energy: 2.105 local terms energy: -584.479459 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -158.325 flat angles C4'-P-C4' energy: -150.658 flat angles P-C4'-P energy: -85.816 tors. eta vs tors. theta energy: -71.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1377.564457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.564457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.564457 (E_RNA) where: Base-Base interactions energy: -799.934 where: short stacking energy: -398.581 Base-Backbone interact. energy: 3.045 local terms energy: -580.675526 where: bonds (distance) C4'-P energy: -159.203 bonds (distance) P-C4' energy: -150.568 flat angles C4'-P-C4' energy: -143.248 flat angles P-C4'-P energy: -84.722 tors. eta vs tors. theta energy: -42.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -794.328611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.328611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.328611 (E_RNA) where: Base-Base interactions energy: -356.054 where: short stacking energy: -247.144 Base-Backbone interact. energy: 0.287 local terms energy: -438.561285 where: bonds (distance) C4'-P energy: -128.291 bonds (distance) P-C4' energy: -141.159 flat angles C4'-P-C4' energy: -137.537 flat angles P-C4'-P energy: -46.457 tors. eta vs tors. theta energy: 14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3178.967421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.967421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.967421 (E_RNA) where: Base-Base interactions energy: -2194.851 where: short stacking energy: -969.647 Base-Backbone interact. energy: -7.660 local terms energy: -976.456530 where: bonds (distance) C4'-P energy: -181.347 bonds (distance) P-C4' energy: -170.319 flat angles C4'-P-C4' energy: -212.963 flat angles P-C4'-P energy: -132.346 tors. eta vs tors. theta energy: -279.481 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: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -3058.519751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.519751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.519751 (E_RNA) where: Base-Base interactions energy: -2082.705 where: short stacking energy: -873.898 Base-Backbone interact. energy: -6.368 local terms energy: -969.445866 where: bonds (distance) C4'-P energy: -192.200 bonds (distance) P-C4' energy: -181.666 flat angles C4'-P-C4' energy: -204.235 flat angles P-C4'-P energy: -141.264 tors. eta vs tors. theta energy: -250.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2959.797854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.797854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.797854 (E_RNA) where: Base-Base interactions energy: -2054.984 where: short stacking energy: -898.303 Base-Backbone interact. energy: 1.495 local terms energy: -906.308894 where: bonds (distance) C4'-P energy: -160.955 bonds (distance) P-C4' energy: -162.422 flat angles C4'-P-C4' energy: -198.887 flat angles P-C4'-P energy: -124.590 tors. eta vs tors. theta energy: -259.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2641.313540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.313540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.313540 (E_RNA) where: Base-Base interactions energy: -1797.812 where: short stacking energy: -794.736 Base-Backbone interact. energy: -2.561 local terms energy: -840.940491 where: bonds (distance) C4'-P energy: -154.638 bonds (distance) P-C4' energy: -166.313 flat angles C4'-P-C4' energy: -184.184 flat angles P-C4'-P energy: -125.393 tors. eta vs tors. theta energy: -210.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2294.421903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.421903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.421903 (E_RNA) where: Base-Base interactions energy: -1558.272 where: short stacking energy: -666.090 Base-Backbone interact. energy: 4.081 local terms energy: -740.230755 where: bonds (distance) C4'-P energy: -149.052 bonds (distance) P-C4' energy: -163.438 flat angles C4'-P-C4' energy: -182.225 flat angles P-C4'-P energy: -102.775 tors. eta vs tors. theta energy: -142.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2106.420121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.420121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.420121 (E_RNA) where: Base-Base interactions energy: -1352.036 where: short stacking energy: -642.218 Base-Backbone interact. energy: -3.720 local terms energy: -750.664535 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -174.229 flat angles C4'-P-C4' energy: -178.512 flat angles P-C4'-P energy: -99.848 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: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2054.616035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.616035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.616035 (E_RNA) where: Base-Base interactions energy: -1312.430 where: short stacking energy: -593.213 Base-Backbone interact. energy: -1.536 local terms energy: -740.649710 where: bonds (distance) C4'-P energy: -138.361 bonds (distance) P-C4' energy: -171.111 flat angles C4'-P-C4' energy: -181.222 flat angles P-C4'-P energy: -113.331 tors. eta vs tors. theta energy: -136.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1567.969810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.969810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.969810 (E_RNA) where: Base-Base interactions energy: -960.114 where: short stacking energy: -446.887 Base-Backbone interact. energy: -2.253 local terms energy: -605.602922 where: bonds (distance) C4'-P energy: -144.166 bonds (distance) P-C4' energy: -149.924 flat angles C4'-P-C4' energy: -138.687 flat angles P-C4'-P energy: -92.982 tors. eta vs tors. theta energy: -79.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1392.921240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.921240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.921240 (E_RNA) where: Base-Base interactions energy: -864.060 where: short stacking energy: -405.670 Base-Backbone interact. energy: -1.209 local terms energy: -527.652538 where: bonds (distance) C4'-P energy: -124.042 bonds (distance) P-C4' energy: -148.312 flat angles C4'-P-C4' energy: -123.282 flat angles P-C4'-P energy: -85.386 tors. eta vs tors. theta energy: -46.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -755.467244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.467244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.467244 (E_RNA) where: Base-Base interactions energy: -326.610 where: short stacking energy: -232.706 Base-Backbone interact. energy: -0.069 local terms energy: -428.788587 where: bonds (distance) C4'-P energy: -150.195 bonds (distance) P-C4' energy: -155.520 flat angles C4'-P-C4' energy: -99.430 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: 35.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3160.301791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.301791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.301791 (E_RNA) where: Base-Base interactions energy: -2164.531 where: short stacking energy: -964.677 Base-Backbone interact. energy: -8.389 local terms energy: -987.381555 where: bonds (distance) C4'-P energy: -183.459 bonds (distance) P-C4' energy: -181.856 flat angles C4'-P-C4' energy: -208.547 flat angles P-C4'-P energy: -134.932 tors. eta vs tors. theta energy: -278.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -3035.018995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.018995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.018995 (E_RNA) where: Base-Base interactions energy: -2086.087 where: short stacking energy: -898.502 Base-Backbone interact. energy: -5.502 local terms energy: -943.430325 where: bonds (distance) C4'-P energy: -172.482 bonds (distance) P-C4' energy: -177.605 flat angles C4'-P-C4' energy: -204.328 flat angles P-C4'-P energy: -140.100 tors. eta vs tors. theta energy: -248.915 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: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2955.283468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.283468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.283468 (E_RNA) where: Base-Base interactions energy: -2036.175 where: short stacking energy: -866.923 Base-Backbone interact. energy: -3.953 local terms energy: -915.155945 where: bonds (distance) C4'-P energy: -174.295 bonds (distance) P-C4' energy: -172.592 flat angles C4'-P-C4' energy: -198.868 flat angles P-C4'-P energy: -125.735 tors. eta vs tors. theta energy: -243.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2598.074615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.074615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.074615 (E_RNA) where: Base-Base interactions energy: -1780.900 where: short stacking energy: -772.002 Base-Backbone interact. energy: 1.587 local terms energy: -818.761653 where: bonds (distance) C4'-P energy: -153.030 bonds (distance) P-C4' energy: -156.381 flat angles C4'-P-C4' energy: -193.047 flat angles P-C4'-P energy: -119.441 tors. eta vs tors. theta energy: -196.862 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: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2329.199070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.199070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.199070 (E_RNA) where: Base-Base interactions energy: -1560.313 where: short stacking energy: -668.853 Base-Backbone interact. energy: -0.862 local terms energy: -768.024637 where: bonds (distance) C4'-P energy: -153.003 bonds (distance) P-C4' energy: -157.398 flat angles C4'-P-C4' energy: -187.669 flat angles P-C4'-P energy: -117.509 tors. eta vs tors. theta energy: -152.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2147.786849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.786849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.786849 (E_RNA) where: Base-Base interactions energy: -1368.226 where: short stacking energy: -662.014 Base-Backbone interact. energy: -1.071 local terms energy: -778.489722 where: bonds (distance) C4'-P energy: -157.305 bonds (distance) P-C4' energy: -172.676 flat angles C4'-P-C4' energy: -180.500 flat angles P-C4'-P energy: -102.667 tors. eta vs tors. theta energy: -165.341 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: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2075.048808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.048808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.048808 (E_RNA) where: Base-Base interactions energy: -1364.749 where: short stacking energy: -613.644 Base-Backbone interact. energy: -1.405 local terms energy: -708.894546 where: bonds (distance) C4'-P energy: -157.374 bonds (distance) P-C4' energy: -153.567 flat angles C4'-P-C4' energy: -170.842 flat angles P-C4'-P energy: -95.103 tors. eta vs tors. theta energy: -132.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1481.176147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.176147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.176147 (E_RNA) where: Base-Base interactions energy: -900.540 where: short stacking energy: -440.924 Base-Backbone interact. energy: 2.556 local terms energy: -583.192615 where: bonds (distance) C4'-P energy: -131.364 bonds (distance) P-C4' energy: -149.406 flat angles C4'-P-C4' energy: -141.903 flat angles P-C4'-P energy: -99.534 tors. eta vs tors. theta energy: -60.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1392.509138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.509138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.509138 (E_RNA) where: Base-Base interactions energy: -814.743 where: short stacking energy: -398.625 Base-Backbone interact. energy: 5.197 local terms energy: -582.962819 where: bonds (distance) C4'-P energy: -141.709 bonds (distance) P-C4' energy: -151.653 flat angles C4'-P-C4' energy: -145.515 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -56.350 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -784.784892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.784892 (E_RNA) where: Base-Base interactions energy: -317.368 where: short stacking energy: -191.765 Base-Backbone interact. energy: -0.817 local terms energy: -466.600483 where: bonds (distance) C4'-P energy: -163.652 bonds (distance) P-C4' energy: -160.736 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -67.953 tors. eta vs tors. theta energy: 33.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3217.130508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.130508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.130508 (E_RNA) where: Base-Base interactions energy: -2223.770 where: short stacking energy: -940.957 Base-Backbone interact. energy: -3.481 local terms energy: -989.879252 where: bonds (distance) C4'-P energy: -178.232 bonds (distance) P-C4' energy: -194.472 flat angles C4'-P-C4' energy: -194.527 flat angles P-C4'-P energy: -143.662 tors. eta vs tors. theta energy: -278.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -3044.475502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.475502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.475502 (E_RNA) where: Base-Base interactions energy: -2110.820 where: short stacking energy: -895.608 Base-Backbone interact. energy: -6.819 local terms energy: -926.836577 where: bonds (distance) C4'-P energy: -156.689 bonds (distance) P-C4' energy: -187.589 flat angles C4'-P-C4' energy: -196.930 flat angles P-C4'-P energy: -127.263 tors. eta vs tors. theta energy: -258.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2921.643052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.643052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.643052 (E_RNA) where: Base-Base interactions energy: -2026.878 where: short stacking energy: -852.496 Base-Backbone interact. energy: 2.871 local terms energy: -897.635848 where: bonds (distance) C4'-P energy: -159.579 bonds (distance) P-C4' energy: -182.204 flat angles C4'-P-C4' energy: -185.953 flat angles P-C4'-P energy: -131.767 tors. eta vs tors. theta energy: -238.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2634.031813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.031813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.031813 (E_RNA) where: Base-Base interactions energy: -1799.989 where: short stacking energy: -812.095 Base-Backbone interact. energy: -3.556 local terms energy: -830.487037 where: bonds (distance) C4'-P energy: -159.900 bonds (distance) P-C4' energy: -163.603 flat angles C4'-P-C4' energy: -190.842 flat angles P-C4'-P energy: -109.077 tors. eta vs tors. theta energy: -207.065 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: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2372.989865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.989865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.989865 (E_RNA) where: Base-Base interactions energy: -1606.774 where: short stacking energy: -683.464 Base-Backbone interact. energy: -6.434 local terms energy: -759.781671 where: bonds (distance) C4'-P energy: -171.291 bonds (distance) P-C4' energy: -138.632 flat angles C4'-P-C4' energy: -189.576 flat angles P-C4'-P energy: -103.655 tors. eta vs tors. theta energy: -156.628 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: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2113.693975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.693975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.693975 (E_RNA) where: Base-Base interactions energy: -1334.434 where: short stacking energy: -667.030 Base-Backbone interact. energy: 3.395 local terms energy: -782.654269 where: bonds (distance) C4'-P energy: -171.775 bonds (distance) P-C4' energy: -170.306 flat angles C4'-P-C4' energy: -155.818 flat angles P-C4'-P energy: -116.111 tors. eta vs tors. theta energy: -168.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2061.730585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.730585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.730585 (E_RNA) where: Base-Base interactions energy: -1380.369 where: short stacking energy: -635.404 Base-Backbone interact. energy: -1.870 local terms energy: -679.491655 where: bonds (distance) C4'-P energy: -150.355 bonds (distance) P-C4' energy: -144.291 flat angles C4'-P-C4' energy: -157.807 flat angles P-C4'-P energy: -105.634 tors. eta vs tors. theta energy: -121.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1552.746606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.746606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.746606 (E_RNA) where: Base-Base interactions energy: -958.764 where: short stacking energy: -461.782 Base-Backbone interact. energy: 3.004 local terms energy: -596.985992 where: bonds (distance) C4'-P energy: -150.264 bonds (distance) P-C4' energy: -121.961 flat angles C4'-P-C4' energy: -152.566 flat angles P-C4'-P energy: -93.735 tors. eta vs tors. theta energy: -78.461 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: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1356.333372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.333372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.333372 (E_RNA) where: Base-Base interactions energy: -815.130 where: short stacking energy: -403.906 Base-Backbone interact. energy: -1.651 local terms energy: -539.551858 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -129.938 flat angles C4'-P-C4' energy: -124.673 flat angles P-C4'-P energy: -82.161 tors. eta vs tors. theta energy: -54.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -893.776041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.776041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.776041 (E_RNA) where: Base-Base interactions energy: -385.670 where: short stacking energy: -271.639 Base-Backbone interact. energy: 0.601 local terms energy: -508.706464 where: bonds (distance) C4'-P energy: -148.362 bonds (distance) P-C4' energy: -146.281 flat angles C4'-P-C4' energy: -145.119 flat angles P-C4'-P energy: -78.575 tors. eta vs tors. theta energy: 9.630 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3208.067138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.067138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.067138 (E_RNA) where: Base-Base interactions energy: -2207.498 where: short stacking energy: -985.504 Base-Backbone interact. energy: -10.021 local terms energy: -990.548144 where: bonds (distance) C4'-P energy: -167.675 bonds (distance) P-C4' energy: -182.476 flat angles C4'-P-C4' energy: -209.522 flat angles P-C4'-P energy: -148.149 tors. eta vs tors. theta energy: -282.726 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: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -3045.288261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.288261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.288261 (E_RNA) where: Base-Base interactions energy: -2096.099 where: short stacking energy: -907.307 Base-Backbone interact. energy: -6.049 local terms energy: -943.140278 where: bonds (distance) C4'-P energy: -174.110 bonds (distance) P-C4' energy: -176.346 flat angles C4'-P-C4' energy: -198.451 flat angles P-C4'-P energy: -140.459 tors. eta vs tors. theta energy: -253.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2918.295850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.295850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.295850 (E_RNA) where: Base-Base interactions energy: -2032.733 where: short stacking energy: -838.496 Base-Backbone interact. energy: -4.471 local terms energy: -881.091748 where: bonds (distance) C4'-P energy: -153.684 bonds (distance) P-C4' energy: -172.966 flat angles C4'-P-C4' energy: -198.750 flat angles P-C4'-P energy: -122.435 tors. eta vs tors. theta energy: -233.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2629.478904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.478904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.478904 (E_RNA) where: Base-Base interactions energy: -1758.994 where: short stacking energy: -768.423 Base-Backbone interact. energy: -7.052 local terms energy: -863.433111 where: bonds (distance) C4'-P energy: -170.364 bonds (distance) P-C4' energy: -173.205 flat angles C4'-P-C4' energy: -196.524 flat angles P-C4'-P energy: -114.912 tors. eta vs tors. theta energy: -208.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2426.025331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.025331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.025331 (E_RNA) where: Base-Base interactions energy: -1656.086 where: short stacking energy: -714.555 Base-Backbone interact. energy: -1.417 local terms energy: -768.522489 where: bonds (distance) C4'-P energy: -153.855 bonds (distance) P-C4' energy: -164.352 flat angles C4'-P-C4' energy: -166.260 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -180.745 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: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2125.485912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.485912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.485912 (E_RNA) where: Base-Base interactions energy: -1357.957 where: short stacking energy: -675.842 Base-Backbone interact. energy: -0.939 local terms energy: -766.589852 where: bonds (distance) C4'-P energy: -169.027 bonds (distance) P-C4' energy: -154.066 flat angles C4'-P-C4' energy: -164.892 flat angles P-C4'-P energy: -96.404 tors. eta vs tors. theta energy: -182.201 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: 7, replica: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2086.573750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.573750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.573750 (E_RNA) where: Base-Base interactions energy: -1365.063 where: short stacking energy: -629.856 Base-Backbone interact. energy: 1.729 local terms energy: -723.239744 where: bonds (distance) C4'-P energy: -150.022 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -156.877 flat angles P-C4'-P energy: -117.741 tors. eta vs tors. theta energy: -143.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1615.661177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.661177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.661177 (E_RNA) where: Base-Base interactions energy: -980.128 where: short stacking energy: -490.288 Base-Backbone interact. energy: 2.008 local terms energy: -637.541591 where: bonds (distance) C4'-P energy: -149.237 bonds (distance) P-C4' energy: -138.576 flat angles C4'-P-C4' energy: -148.078 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -86.817 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: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1371.967122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.967122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.967122 (E_RNA) where: Base-Base interactions energy: -798.022 where: short stacking energy: -435.445 Base-Backbone interact. energy: -1.056 local terms energy: -572.889601 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -168.535 flat angles C4'-P-C4' energy: -144.252 flat angles P-C4'-P energy: -60.074 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: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -845.826488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.826488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.826488 (E_RNA) where: Base-Base interactions energy: -403.553 where: short stacking energy: -268.240 Base-Backbone interact. energy: 3.667 local terms energy: -445.940103 where: bonds (distance) C4'-P energy: -147.944 bonds (distance) P-C4' energy: -144.243 flat angles C4'-P-C4' energy: -107.957 flat angles P-C4'-P energy: -70.379 tors. eta vs tors. theta energy: 24.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3188.981268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.981268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.981268 (E_RNA) where: Base-Base interactions energy: -2218.775 where: short stacking energy: -933.382 Base-Backbone interact. energy: -0.494 local terms energy: -969.712108 where: bonds (distance) C4'-P energy: -185.541 bonds (distance) P-C4' energy: -181.536 flat angles C4'-P-C4' energy: -198.106 flat angles P-C4'-P energy: -138.428 tors. eta vs tors. theta energy: -266.101 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: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -3035.121494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.121494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.121494 (E_RNA) where: Base-Base interactions energy: -2071.409 where: short stacking energy: -877.671 Base-Backbone interact. energy: -6.764 local terms energy: -956.948974 where: bonds (distance) C4'-P energy: -175.572 bonds (distance) P-C4' energy: -184.861 flat angles C4'-P-C4' energy: -195.063 flat angles P-C4'-P energy: -137.924 tors. eta vs tors. theta energy: -263.530 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: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2946.063884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.063884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.063884 (E_RNA) where: Base-Base interactions energy: -1996.286 where: short stacking energy: -874.881 Base-Backbone interact. energy: -1.817 local terms energy: -947.960308 where: bonds (distance) C4'-P energy: -195.009 bonds (distance) P-C4' energy: -177.731 flat angles C4'-P-C4' energy: -194.022 flat angles P-C4'-P energy: -123.879 tors. eta vs tors. theta energy: -257.319 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2696.982792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.982792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.982792 (E_RNA) where: Base-Base interactions energy: -1826.758 where: short stacking energy: -821.880 Base-Backbone interact. energy: -2.028 local terms energy: -868.196031 where: bonds (distance) C4'-P energy: -177.476 bonds (distance) P-C4' energy: -167.674 flat angles C4'-P-C4' energy: -188.165 flat angles P-C4'-P energy: -116.309 tors. eta vs tors. theta energy: -218.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2364.875440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.875440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.875440 (E_RNA) where: Base-Base interactions energy: -1605.063 where: short stacking energy: -703.723 Base-Backbone interact. energy: 0.384 local terms energy: -760.196434 where: bonds (distance) C4'-P energy: -155.010 bonds (distance) P-C4' energy: -158.411 flat angles C4'-P-C4' energy: -185.010 flat angles P-C4'-P energy: -105.925 tors. eta vs tors. theta energy: -155.840 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: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2153.885132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.885132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.885132 (E_RNA) where: Base-Base interactions energy: -1376.300 where: short stacking energy: -681.216 Base-Backbone interact. energy: -1.361 local terms energy: -776.224333 where: bonds (distance) C4'-P energy: -166.502 bonds (distance) P-C4' energy: -160.113 flat angles C4'-P-C4' energy: -181.724 flat angles P-C4'-P energy: -88.374 tors. eta vs tors. theta energy: -179.512 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: 165 Temperature: 1.200000 Total energy: -2061.968434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.968434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.968434 (E_RNA) where: Base-Base interactions energy: -1353.839 where: short stacking energy: -611.857 Base-Backbone interact. energy: 4.638 local terms energy: -712.767009 where: bonds (distance) C4'-P energy: -129.351 bonds (distance) P-C4' energy: -166.084 flat angles C4'-P-C4' energy: -177.970 flat angles P-C4'-P energy: -99.811 tors. eta vs tors. theta energy: -139.550 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: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1566.939233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.939233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.939233 (E_RNA) where: Base-Base interactions energy: -937.165 where: short stacking energy: -469.701 Base-Backbone interact. energy: -2.600 local terms energy: -627.174166 where: bonds (distance) C4'-P energy: -164.008 bonds (distance) P-C4' energy: -171.680 flat angles C4'-P-C4' energy: -140.863 flat angles P-C4'-P energy: -71.354 tors. eta vs tors. theta energy: -79.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1373.988475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.988475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.988475 (E_RNA) where: Base-Base interactions energy: -747.251 where: short stacking energy: -379.564 Base-Backbone interact. energy: -0.258 local terms energy: -626.479651 where: bonds (distance) C4'-P energy: -160.276 bonds (distance) P-C4' energy: -160.004 flat angles C4'-P-C4' energy: -160.477 flat angles P-C4'-P energy: -97.061 tors. eta vs tors. theta energy: -48.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -863.636433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.636433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.636433 (E_RNA) where: Base-Base interactions energy: -416.158 where: short stacking energy: -266.183 Base-Backbone interact. energy: -1.155 local terms energy: -446.324128 where: bonds (distance) C4'-P energy: -146.477 bonds (distance) P-C4' energy: -139.498 flat angles C4'-P-C4' energy: -122.187 flat angles P-C4'-P energy: -79.880 tors. eta vs tors. theta energy: 41.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3191.073162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.073162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.073162 (E_RNA) where: Base-Base interactions energy: -2203.426 where: short stacking energy: -955.475 Base-Backbone interact. energy: -5.709 local terms energy: -981.938397 where: bonds (distance) C4'-P energy: -186.303 bonds (distance) P-C4' energy: -178.810 flat angles C4'-P-C4' energy: -204.862 flat angles P-C4'-P energy: -131.336 tors. eta vs tors. theta energy: -280.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -3013.656032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.656032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.656032 (E_RNA) where: Base-Base interactions energy: -2073.353 where: short stacking energy: -896.316 Base-Backbone interact. energy: 0.658 local terms energy: -940.960920 where: bonds (distance) C4'-P energy: -170.106 bonds (distance) P-C4' energy: -182.145 flat angles C4'-P-C4' energy: -211.830 flat angles P-C4'-P energy: -123.895 tors. eta vs tors. theta energy: -252.985 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: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2940.460993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.460993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.460993 (E_RNA) where: Base-Base interactions energy: -2020.577 where: short stacking energy: -845.792 Base-Backbone interact. energy: -3.168 local terms energy: -916.716084 where: bonds (distance) C4'-P energy: -168.394 bonds (distance) P-C4' energy: -176.865 flat angles C4'-P-C4' energy: -189.641 flat angles P-C4'-P energy: -140.897 tors. eta vs tors. theta energy: -240.919 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: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2578.082129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.082129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.082129 (E_RNA) where: Base-Base interactions energy: -1728.814 where: short stacking energy: -742.879 Base-Backbone interact. energy: -0.601 local terms energy: -848.666529 where: bonds (distance) C4'-P energy: -171.970 bonds (distance) P-C4' energy: -178.552 flat angles C4'-P-C4' energy: -183.220 flat angles P-C4'-P energy: -118.009 tors. eta vs tors. theta energy: -196.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2375.837073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.837073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.837073 (E_RNA) where: Base-Base interactions energy: -1589.036 where: short stacking energy: -709.273 Base-Backbone interact. energy: -2.028 local terms energy: -784.772881 where: bonds (distance) C4'-P energy: -153.580 bonds (distance) P-C4' energy: -156.564 flat angles C4'-P-C4' energy: -185.766 flat angles P-C4'-P energy: -115.675 tors. eta vs tors. theta energy: -173.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2156.214224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.214224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.214224 (E_RNA) where: Base-Base interactions energy: -1379.459 where: short stacking energy: -673.115 Base-Backbone interact. energy: -3.399 local terms energy: -773.356536 where: bonds (distance) C4'-P energy: -152.507 bonds (distance) P-C4' energy: -169.762 flat angles C4'-P-C4' energy: -171.004 flat angles P-C4'-P energy: -103.600 tors. eta vs tors. theta energy: -176.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2023.388425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.388425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.388425 (E_RNA) where: Base-Base interactions energy: -1291.655 where: short stacking energy: -606.182 Base-Backbone interact. energy: 0.223 local terms energy: -731.955642 where: bonds (distance) C4'-P energy: -140.638 bonds (distance) P-C4' energy: -158.318 flat angles C4'-P-C4' energy: -181.565 flat angles P-C4'-P energy: -106.803 tors. eta vs tors. theta energy: -144.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1485.925175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.925175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.925175 (E_RNA) where: Base-Base interactions energy: -902.688 where: short stacking energy: -449.601 Base-Backbone interact. energy: -1.958 local terms energy: -581.279456 where: bonds (distance) C4'-P energy: -139.099 bonds (distance) P-C4' energy: -141.740 flat angles C4'-P-C4' energy: -150.813 flat angles P-C4'-P energy: -85.037 tors. eta vs tors. theta energy: -64.590 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: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1415.537301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.537301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.537301 (E_RNA) where: Base-Base interactions energy: -814.557 where: short stacking energy: -398.762 Base-Backbone interact. energy: 0.882 local terms energy: -601.862174 where: bonds (distance) C4'-P energy: -159.491 bonds (distance) P-C4' energy: -168.450 flat angles C4'-P-C4' energy: -127.917 flat angles P-C4'-P energy: -92.257 tors. eta vs tors. theta energy: -53.747 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: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -932.126913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.126913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.126913 (E_RNA) where: Base-Base interactions energy: -446.732 where: short stacking energy: -262.387 Base-Backbone interact. energy: -5.315 local terms energy: -480.079424 where: bonds (distance) C4'-P energy: -146.641 bonds (distance) P-C4' energy: -146.204 flat angles C4'-P-C4' energy: -129.425 flat angles P-C4'-P energy: -73.701 tors. eta vs tors. theta energy: 15.893 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3160.803917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.803917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.803917 (E_RNA) where: Base-Base interactions energy: -2181.481 where: short stacking energy: -954.887 Base-Backbone interact. energy: -2.058 local terms energy: -977.265459 where: bonds (distance) C4'-P energy: -166.771 bonds (distance) P-C4' energy: -192.593 flat angles C4'-P-C4' energy: -200.282 flat angles P-C4'-P energy: -136.628 tors. eta vs tors. theta energy: -280.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -3046.489968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.489968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.489968 (E_RNA) where: Base-Base interactions energy: -2080.881 where: short stacking energy: -877.452 Base-Backbone interact. energy: -4.608 local terms energy: -961.000476 where: bonds (distance) C4'-P energy: -175.022 bonds (distance) P-C4' energy: -202.458 flat angles C4'-P-C4' energy: -203.786 flat angles P-C4'-P energy: -133.794 tors. eta vs tors. theta energy: -245.940 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: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2969.856320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.856320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.856320 (E_RNA) where: Base-Base interactions energy: -2071.462 where: short stacking energy: -874.406 Base-Backbone interact. energy: -4.985 local terms energy: -893.409345 where: bonds (distance) C4'-P energy: -175.583 bonds (distance) P-C4' energy: -164.453 flat angles C4'-P-C4' energy: -180.863 flat angles P-C4'-P energy: -137.920 tors. eta vs tors. theta energy: -234.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2600.714073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.714073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.714073 (E_RNA) where: Base-Base interactions energy: -1756.148 where: short stacking energy: -781.440 Base-Backbone interact. energy: -3.074 local terms energy: -841.491760 where: bonds (distance) C4'-P energy: -145.108 bonds (distance) P-C4' energy: -164.534 flat angles C4'-P-C4' energy: -190.417 flat angles P-C4'-P energy: -126.788 tors. eta vs tors. theta energy: -214.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2390.326836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.326836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.326836 (E_RNA) where: Base-Base interactions energy: -1582.883 where: short stacking energy: -718.786 Base-Backbone interact. energy: -2.541 local terms energy: -804.902554 where: bonds (distance) C4'-P energy: -150.565 bonds (distance) P-C4' energy: -166.409 flat angles C4'-P-C4' energy: -172.284 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -196.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2189.397197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.397197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.397197 (E_RNA) where: Base-Base interactions energy: -1421.354 where: short stacking energy: -707.043 Base-Backbone interact. energy: 0.540 local terms energy: -768.583655 where: bonds (distance) C4'-P energy: -146.475 bonds (distance) P-C4' energy: -178.226 flat angles C4'-P-C4' energy: -168.225 flat angles P-C4'-P energy: -98.453 tors. eta vs tors. theta energy: -177.204 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: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2078.101966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.101966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.101966 (E_RNA) where: Base-Base interactions energy: -1324.082 where: short stacking energy: -606.713 Base-Backbone interact. energy: -4.571 local terms energy: -749.448814 where: bonds (distance) C4'-P energy: -159.828 bonds (distance) P-C4' energy: -138.898 flat angles C4'-P-C4' energy: -184.393 flat angles P-C4'-P energy: -114.785 tors. eta vs tors. theta energy: -151.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1492.372165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.372165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.372165 (E_RNA) where: Base-Base interactions energy: -862.896 where: short stacking energy: -457.191 Base-Backbone interact. energy: -2.706 local terms energy: -626.770528 where: bonds (distance) C4'-P energy: -152.873 bonds (distance) P-C4' energy: -162.206 flat angles C4'-P-C4' energy: -147.467 flat angles P-C4'-P energy: -103.417 tors. eta vs tors. theta energy: -60.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1408.462047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.462047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.462047 (E_RNA) where: Base-Base interactions energy: -845.313 where: short stacking energy: -394.129 Base-Backbone interact. energy: -5.904 local terms energy: -557.245393 where: bonds (distance) C4'-P energy: -146.704 bonds (distance) P-C4' energy: -135.031 flat angles C4'-P-C4' energy: -136.757 flat angles P-C4'-P energy: -85.408 tors. eta vs tors. theta energy: -53.345 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: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -919.757237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.757237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.757237 (E_RNA) where: Base-Base interactions energy: -457.107 where: short stacking energy: -254.964 Base-Backbone interact. energy: 3.382 local terms energy: -466.032564 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -157.823 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: 5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3223.208542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.208542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.208542 (E_RNA) where: Base-Base interactions energy: -2225.044 where: short stacking energy: -929.936 Base-Backbone interact. energy: -4.703 local terms energy: -993.461342 where: bonds (distance) C4'-P energy: -183.770 bonds (distance) P-C4' energy: -171.761 flat angles C4'-P-C4' energy: -209.959 flat angles P-C4'-P energy: -148.210 tors. eta vs tors. theta energy: -279.761 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: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -3069.664220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.664220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.664220 (E_RNA) where: Base-Base interactions energy: -2109.625 where: short stacking energy: -897.003 Base-Backbone interact. energy: -5.899 local terms energy: -954.140047 where: bonds (distance) C4'-P energy: -172.736 bonds (distance) P-C4' energy: -173.254 flat angles C4'-P-C4' energy: -213.962 flat angles P-C4'-P energy: -136.058 tors. eta vs tors. theta energy: -258.129 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: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2964.246091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.246091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.246091 (E_RNA) where: Base-Base interactions energy: -2046.784 where: short stacking energy: -894.810 Base-Backbone interact. energy: 1.242 local terms energy: -918.703259 where: bonds (distance) C4'-P energy: -158.785 bonds (distance) P-C4' energy: -186.748 flat angles C4'-P-C4' energy: -195.591 flat angles P-C4'-P energy: -132.968 tors. eta vs tors. theta energy: -244.611 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: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2597.235112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.235112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.235112 (E_RNA) where: Base-Base interactions energy: -1748.518 where: short stacking energy: -743.042 Base-Backbone interact. energy: -6.310 local terms energy: -842.407525 where: bonds (distance) C4'-P energy: -166.256 bonds (distance) P-C4' energy: -189.596 flat angles C4'-P-C4' energy: -173.506 flat angles P-C4'-P energy: -120.093 tors. eta vs tors. theta energy: -192.956 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: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2380.284960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.284960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.284960 (E_RNA) where: Base-Base interactions energy: -1607.612 where: short stacking energy: -709.046 Base-Backbone interact. energy: -5.036 local terms energy: -767.636847 where: bonds (distance) C4'-P energy: -139.270 bonds (distance) P-C4' energy: -160.084 flat angles C4'-P-C4' energy: -179.957 flat angles P-C4'-P energy: -108.226 tors. eta vs tors. theta energy: -180.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2162.995092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.995092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.995092 (E_RNA) where: Base-Base interactions energy: -1370.685 where: short stacking energy: -640.864 Base-Backbone interact. energy: -2.931 local terms energy: -789.378710 where: bonds (distance) C4'-P energy: -153.925 bonds (distance) P-C4' energy: -177.268 flat angles C4'-P-C4' energy: -176.924 flat angles P-C4'-P energy: -108.025 tors. eta vs tors. theta energy: -173.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2109.118766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.118766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.118766 (E_RNA) where: Base-Base interactions energy: -1411.821 where: short stacking energy: -625.426 Base-Backbone interact. energy: -2.432 local terms energy: -694.866048 where: bonds (distance) C4'-P energy: -95.957 bonds (distance) P-C4' energy: -165.428 flat angles C4'-P-C4' energy: -176.808 flat angles P-C4'-P energy: -124.881 tors. eta vs tors. theta energy: -131.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1464.242272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.242272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.242272 (E_RNA) where: Base-Base interactions energy: -865.338 where: short stacking energy: -419.653 Base-Backbone interact. energy: -5.125 local terms energy: -593.779265 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -140.860 flat angles C4'-P-C4' energy: -151.616 flat angles P-C4'-P energy: -108.409 tors. eta vs tors. theta energy: -53.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1296.408240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.408240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.408240 (E_RNA) where: Base-Base interactions energy: -757.528 where: short stacking energy: -393.412 Base-Backbone interact. energy: -5.406 local terms energy: -533.474307 where: bonds (distance) C4'-P energy: -135.996 bonds (distance) P-C4' energy: -144.728 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -49.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1025.982222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.982222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.982222 (E_RNA) where: Base-Base interactions energy: -517.658 where: short stacking energy: -252.308 Base-Backbone interact. energy: -0.024 local terms energy: -508.299644 where: bonds (distance) C4'-P energy: -148.507 bonds (distance) P-C4' energy: -167.224 flat angles C4'-P-C4' energy: -128.765 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -7.027 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: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3206.816716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.816716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.816716 (E_RNA) where: Base-Base interactions energy: -2230.166 where: short stacking energy: -981.557 Base-Backbone interact. energy: -2.031 local terms energy: -974.619917 where: bonds (distance) C4'-P energy: -181.635 bonds (distance) P-C4' energy: -173.590 flat angles C4'-P-C4' energy: -190.913 flat angles P-C4'-P energy: -146.074 tors. eta vs tors. theta energy: -282.408 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: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -3022.778619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.778619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.778619 (E_RNA) where: Base-Base interactions energy: -2078.102 where: short stacking energy: -890.995 Base-Backbone interact. energy: -7.768 local terms energy: -936.908816 where: bonds (distance) C4'-P energy: -174.252 bonds (distance) P-C4' energy: -182.015 flat angles C4'-P-C4' energy: -198.261 flat angles P-C4'-P energy: -137.602 tors. eta vs tors. theta energy: -244.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2924.630829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.630829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.630829 (E_RNA) where: Base-Base interactions energy: -2025.191 where: short stacking energy: -871.515 Base-Backbone interact. energy: -4.544 local terms energy: -894.895124 where: bonds (distance) C4'-P energy: -169.160 bonds (distance) P-C4' energy: -176.119 flat angles C4'-P-C4' energy: -192.582 flat angles P-C4'-P energy: -107.912 tors. eta vs tors. theta energy: -249.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2578.729328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.729328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.729328 (E_RNA) where: Base-Base interactions energy: -1744.506 where: short stacking energy: -755.542 Base-Backbone interact. energy: -3.110 local terms energy: -831.112711 where: bonds (distance) C4'-P energy: -166.091 bonds (distance) P-C4' energy: -164.106 flat angles C4'-P-C4' energy: -188.845 flat angles P-C4'-P energy: -117.596 tors. eta vs tors. theta energy: -194.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2372.386784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.386784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.386784 (E_RNA) where: Base-Base interactions energy: -1628.521 where: short stacking energy: -710.046 Base-Backbone interact. energy: -0.395 local terms energy: -743.471239 where: bonds (distance) C4'-P energy: -170.218 bonds (distance) P-C4' energy: -150.334 flat angles C4'-P-C4' energy: -171.912 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -158.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2185.113763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.113763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.113763 (E_RNA) where: Base-Base interactions energy: -1424.490 where: short stacking energy: -662.451 Base-Backbone interact. energy: -2.635 local terms energy: -757.988397 where: bonds (distance) C4'-P energy: -159.073 bonds (distance) P-C4' energy: -156.809 flat angles C4'-P-C4' energy: -168.606 flat angles P-C4'-P energy: -94.743 tors. eta vs tors. theta energy: -178.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2126.719121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.719121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.719121 (E_RNA) where: Base-Base interactions energy: -1395.917 where: short stacking energy: -620.355 Base-Backbone interact. energy: -2.736 local terms energy: -728.066152 where: bonds (distance) C4'-P energy: -145.950 bonds (distance) P-C4' energy: -171.860 flat angles C4'-P-C4' energy: -177.466 flat angles P-C4'-P energy: -94.322 tors. eta vs tors. theta energy: -138.469 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: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1515.000483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.000483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.000483 (E_RNA) where: Base-Base interactions energy: -883.751 where: short stacking energy: -427.643 Base-Backbone interact. energy: 0.304 local terms energy: -631.553210 where: bonds (distance) C4'-P energy: -157.308 bonds (distance) P-C4' energy: -157.532 flat angles C4'-P-C4' energy: -162.821 flat angles P-C4'-P energy: -94.431 tors. eta vs tors. theta energy: -59.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1306.881039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.881039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.881039 (E_RNA) where: Base-Base interactions energy: -780.909 where: short stacking energy: -389.584 Base-Backbone interact. energy: -2.780 local terms energy: -523.191433 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -147.969 flat angles C4'-P-C4' energy: -121.816 flat angles P-C4'-P energy: -85.553 tors. eta vs tors. theta energy: -37.826 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: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -952.647557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.647557 (E_RNA) where: Base-Base interactions energy: -496.935 where: short stacking energy: -266.396 Base-Backbone interact. energy: 2.143 local terms energy: -457.856244 where: bonds (distance) C4'-P energy: -135.953 bonds (distance) P-C4' energy: -163.856 flat angles C4'-P-C4' energy: -97.516 flat angles P-C4'-P energy: -66.555 tors. eta vs tors. theta energy: 6.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3217.515725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.515725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.515725 (E_RNA) where: Base-Base interactions energy: -2231.155 where: short stacking energy: -989.404 Base-Backbone interact. energy: -6.850 local terms energy: -979.509987 where: bonds (distance) C4'-P energy: -168.966 bonds (distance) P-C4' energy: -181.741 flat angles C4'-P-C4' energy: -201.961 flat angles P-C4'-P energy: -133.172 tors. eta vs tors. theta energy: -293.670 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: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -3013.440820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.440820 (E_RNA) where: Base-Base interactions energy: -2095.686 where: short stacking energy: -891.138 Base-Backbone interact. energy: -5.794 local terms energy: -911.960570 where: bonds (distance) C4'-P energy: -160.983 bonds (distance) P-C4' energy: -190.064 flat angles C4'-P-C4' energy: -194.188 flat angles P-C4'-P energy: -122.882 tors. eta vs tors. theta energy: -243.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2917.373300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.373300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.373300 (E_RNA) where: Base-Base interactions energy: -2008.436 where: short stacking energy: -851.324 Base-Backbone interact. energy: -2.666 local terms energy: -906.271343 where: bonds (distance) C4'-P energy: -157.545 bonds (distance) P-C4' energy: -183.991 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -120.800 tors. eta vs tors. theta energy: -246.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2616.163746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.163746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.163746 (E_RNA) where: Base-Base interactions energy: -1760.520 where: short stacking energy: -753.996 Base-Backbone interact. energy: -5.326 local terms energy: -850.317965 where: bonds (distance) C4'-P energy: -181.606 bonds (distance) P-C4' energy: -165.258 flat angles C4'-P-C4' energy: -199.471 flat angles P-C4'-P energy: -116.975 tors. eta vs tors. theta energy: -187.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2312.645592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.645592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.645592 (E_RNA) where: Base-Base interactions energy: -1502.918 where: short stacking energy: -681.815 Base-Backbone interact. energy: -5.623 local terms energy: -804.104020 where: bonds (distance) C4'-P energy: -175.760 bonds (distance) P-C4' energy: -181.456 flat angles C4'-P-C4' energy: -165.449 flat angles P-C4'-P energy: -117.342 tors. eta vs tors. theta energy: -164.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2159.088877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.088877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.088877 (E_RNA) where: Base-Base interactions energy: -1404.741 where: short stacking energy: -690.120 Base-Backbone interact. energy: -3.201 local terms energy: -751.147030 where: bonds (distance) C4'-P energy: -136.421 bonds (distance) P-C4' energy: -171.590 flat angles C4'-P-C4' energy: -167.912 flat angles P-C4'-P energy: -97.911 tors. eta vs tors. theta energy: -177.313 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: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2095.520051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.520051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.520051 (E_RNA) where: Base-Base interactions energy: -1360.710 where: short stacking energy: -619.995 Base-Backbone interact. energy: -2.342 local terms energy: -732.468677 where: bonds (distance) C4'-P energy: -153.981 bonds (distance) P-C4' energy: -143.902 flat angles C4'-P-C4' energy: -178.215 flat angles P-C4'-P energy: -118.916 tors. eta vs tors. theta energy: -137.454 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: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1517.250861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.250861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.250861 (E_RNA) where: Base-Base interactions energy: -913.871 where: short stacking energy: -442.894 Base-Backbone interact. energy: -3.642 local terms energy: -599.737770 where: bonds (distance) C4'-P energy: -161.131 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -131.220 flat angles P-C4'-P energy: -90.782 tors. eta vs tors. theta energy: -75.499 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: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1355.428744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.428744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.428744 (E_RNA) where: Base-Base interactions energy: -743.853 where: short stacking energy: -373.420 Base-Backbone interact. energy: 0.975 local terms energy: -612.550194 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -165.705 flat angles C4'-P-C4' energy: -165.622 flat angles P-C4'-P energy: -98.198 tors. eta vs tors. theta energy: -33.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1026.685501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.685501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.685501 (E_RNA) where: Base-Base interactions energy: -503.589 where: short stacking energy: -287.289 Base-Backbone interact. energy: -0.820 local terms energy: -522.276975 where: bonds (distance) C4'-P energy: -155.135 bonds (distance) P-C4' energy: -157.389 flat angles C4'-P-C4' energy: -134.580 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: 0.676 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: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3209.574725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.574725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.574725 (E_RNA) where: Base-Base interactions energy: -2223.453 where: short stacking energy: -967.122 Base-Backbone interact. energy: -5.698 local terms energy: -980.423676 where: bonds (distance) C4'-P energy: -191.669 bonds (distance) P-C4' energy: -179.414 flat angles C4'-P-C4' energy: -189.967 flat angles P-C4'-P energy: -138.594 tors. eta vs tors. theta energy: -280.780 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: 171 Temperature: 0.950000 Total energy: -3072.769360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.769360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.769360 (E_RNA) where: Base-Base interactions energy: -2129.803 where: short stacking energy: -943.656 Base-Backbone interact. energy: -7.421 local terms energy: -935.545526 where: bonds (distance) C4'-P energy: -145.848 bonds (distance) P-C4' energy: -181.822 flat angles C4'-P-C4' energy: -206.760 flat angles P-C4'-P energy: -131.016 tors. eta vs tors. theta energy: -270.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -3024.905555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.905555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.905555 (E_RNA) where: Base-Base interactions energy: -2091.268 where: short stacking energy: -912.124 Base-Backbone interact. energy: -3.092 local terms energy: -930.544701 where: bonds (distance) C4'-P energy: -164.246 bonds (distance) P-C4' energy: -170.820 flat angles C4'-P-C4' energy: -202.552 flat angles P-C4'-P energy: -133.137 tors. eta vs tors. theta energy: -259.790 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: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2624.817965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.817965 (E_RNA) where: Base-Base interactions energy: -1769.075 where: short stacking energy: -768.070 Base-Backbone interact. energy: -2.624 local terms energy: -853.118916 where: bonds (distance) C4'-P energy: -159.798 bonds (distance) P-C4' energy: -189.577 flat angles C4'-P-C4' energy: -188.157 flat angles P-C4'-P energy: -111.200 tors. eta vs tors. theta energy: -204.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2318.539561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.539561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.539561 (E_RNA) where: Base-Base interactions energy: -1549.739 where: short stacking energy: -708.910 Base-Backbone interact. energy: -2.266 local terms energy: -766.534400 where: bonds (distance) C4'-P energy: -151.328 bonds (distance) P-C4' energy: -148.259 flat angles C4'-P-C4' energy: -187.241 flat angles P-C4'-P energy: -94.547 tors. eta vs tors. theta energy: -185.159 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: 171 Temperature: 1.150000 Total energy: -2153.287114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.287114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.287114 (E_RNA) where: Base-Base interactions energy: -1374.529 where: short stacking energy: -646.004 Base-Backbone interact. energy: 0.529 local terms energy: -779.287021 where: bonds (distance) C4'-P energy: -162.447 bonds (distance) P-C4' energy: -170.228 flat angles C4'-P-C4' energy: -175.540 flat angles P-C4'-P energy: -96.469 tors. eta vs tors. theta energy: -174.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2063.095470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.095470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.095470 (E_RNA) where: Base-Base interactions energy: -1380.562 where: short stacking energy: -577.009 Base-Backbone interact. energy: -1.768 local terms energy: -680.765679 where: bonds (distance) C4'-P energy: -148.230 bonds (distance) P-C4' energy: -149.508 flat angles C4'-P-C4' energy: -162.743 flat angles P-C4'-P energy: -97.035 tors. eta vs tors. theta energy: -123.250 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: 8, replica: 3 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1481.321986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.321986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.321986 (E_RNA) where: Base-Base interactions energy: -903.219 where: short stacking energy: -489.288 Base-Backbone interact. energy: -0.358 local terms energy: -577.745891 where: bonds (distance) C4'-P energy: -150.460 bonds (distance) P-C4' energy: -107.081 flat angles C4'-P-C4' energy: -165.383 flat angles P-C4'-P energy: -96.482 tors. eta vs tors. theta energy: -58.339 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: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1305.166919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.166919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.166919 (E_RNA) where: Base-Base interactions energy: -779.584 where: short stacking energy: -388.201 Base-Backbone interact. energy: -2.421 local terms energy: -523.161808 where: bonds (distance) C4'-P energy: -164.973 bonds (distance) P-C4' energy: -153.813 flat angles C4'-P-C4' energy: -106.032 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -33.954 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: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1011.099292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.099292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.099292 (E_RNA) where: Base-Base interactions energy: -541.165 where: short stacking energy: -304.509 Base-Backbone interact. energy: 2.558 local terms energy: -472.492754 where: bonds (distance) C4'-P energy: -117.562 bonds (distance) P-C4' energy: -163.916 flat angles C4'-P-C4' energy: -122.561 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3216.443720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.443720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.443720 (E_RNA) where: Base-Base interactions energy: -2179.574 where: short stacking energy: -976.004 Base-Backbone interact. energy: -3.898 local terms energy: -1032.971182 where: bonds (distance) C4'-P energy: -192.867 bonds (distance) P-C4' energy: -204.097 flat angles C4'-P-C4' energy: -212.266 flat angles P-C4'-P energy: -144.482 tors. eta vs tors. theta energy: -279.259 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: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -3033.045477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.045477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.045477 (E_RNA) where: Base-Base interactions energy: -2096.959 where: short stacking energy: -910.817 Base-Backbone interact. energy: -3.389 local terms energy: -932.697451 where: bonds (distance) C4'-P energy: -172.803 bonds (distance) P-C4' energy: -178.570 flat angles C4'-P-C4' energy: -189.013 flat angles P-C4'-P energy: -128.330 tors. eta vs tors. theta energy: -263.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2981.805326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.805326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.805326 (E_RNA) where: Base-Base interactions energy: -2060.783 where: short stacking energy: -890.845 Base-Backbone interact. energy: -0.947 local terms energy: -920.075376 where: bonds (distance) C4'-P energy: -181.661 bonds (distance) P-C4' energy: -172.775 flat angles C4'-P-C4' energy: -193.147 flat angles P-C4'-P energy: -127.897 tors. eta vs tors. theta energy: -244.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2652.126595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.126595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.126595 (E_RNA) where: Base-Base interactions energy: -1810.230 where: short stacking energy: -795.564 Base-Backbone interact. energy: -3.101 local terms energy: -838.796490 where: bonds (distance) C4'-P energy: -155.858 bonds (distance) P-C4' energy: -177.653 flat angles C4'-P-C4' energy: -197.469 flat angles P-C4'-P energy: -107.130 tors. eta vs tors. theta energy: -200.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2358.186527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.186527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.186527 (E_RNA) where: Base-Base interactions energy: -1591.871 where: short stacking energy: -705.196 Base-Backbone interact. energy: -3.218 local terms energy: -763.097539 where: bonds (distance) C4'-P energy: -163.348 bonds (distance) P-C4' energy: -136.452 flat angles C4'-P-C4' energy: -175.599 flat angles P-C4'-P energy: -111.441 tors. eta vs tors. theta energy: -176.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2183.545726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.545726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.545726 (E_RNA) where: Base-Base interactions energy: -1401.774 where: short stacking energy: -648.628 Base-Backbone interact. energy: 0.240 local terms energy: -782.012088 where: bonds (distance) C4'-P energy: -152.608 bonds (distance) P-C4' energy: -171.989 flat angles C4'-P-C4' energy: -180.170 flat angles P-C4'-P energy: -117.370 tors. eta vs tors. theta energy: -159.875 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: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2027.978980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.978980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.978980 (E_RNA) where: Base-Base interactions energy: -1330.644 where: short stacking energy: -585.982 Base-Backbone interact. energy: -0.191 local terms energy: -697.144091 where: bonds (distance) C4'-P energy: -139.038 bonds (distance) P-C4' energy: -168.994 flat angles C4'-P-C4' energy: -173.096 flat angles P-C4'-P energy: -84.385 tors. eta vs tors. theta energy: -131.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1522.188624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.188624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.188624 (E_RNA) where: Base-Base interactions energy: -911.862 where: short stacking energy: -450.937 Base-Backbone interact. energy: -2.916 local terms energy: -607.410615 where: bonds (distance) C4'-P energy: -139.033 bonds (distance) P-C4' energy: -146.985 flat angles C4'-P-C4' energy: -146.646 flat angles P-C4'-P energy: -106.424 tors. eta vs tors. theta energy: -68.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1307.879618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.879618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.879618 (E_RNA) where: Base-Base interactions energy: -774.186 where: short stacking energy: -388.849 Base-Backbone interact. energy: -0.891 local terms energy: -532.802166 where: bonds (distance) C4'-P energy: -129.715 bonds (distance) P-C4' energy: -148.111 flat angles C4'-P-C4' energy: -128.782 flat angles P-C4'-P energy: -82.232 tors. eta vs tors. theta energy: -43.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1005.196961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.196961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.196961 (E_RNA) where: Base-Base interactions energy: -482.471 where: short stacking energy: -280.934 Base-Backbone interact. energy: 4.265 local terms energy: -526.990308 where: bonds (distance) C4'-P energy: -160.114 bonds (distance) P-C4' energy: -151.646 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -83.488 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3213.796513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.796513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.796513 (E_RNA) where: Base-Base interactions energy: -2189.516 where: short stacking energy: -968.001 Base-Backbone interact. energy: -5.884 local terms energy: -1018.396579 where: bonds (distance) C4'-P energy: -179.531 bonds (distance) P-C4' energy: -186.677 flat angles C4'-P-C4' energy: -212.055 flat angles P-C4'-P energy: -152.148 tors. eta vs tors. theta energy: -287.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -3002.942118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.942118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.942118 (E_RNA) where: Base-Base interactions energy: -2075.154 where: short stacking energy: -879.748 Base-Backbone interact. energy: 0.340 local terms energy: -928.128089 where: bonds (distance) C4'-P energy: -180.722 bonds (distance) P-C4' energy: -179.572 flat angles C4'-P-C4' energy: -200.566 flat angles P-C4'-P energy: -126.137 tors. eta vs tors. theta energy: -241.131 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: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2970.072848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.072848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.072848 (E_RNA) where: Base-Base interactions energy: -2051.374 where: short stacking energy: -875.870 Base-Backbone interact. energy: -6.010 local terms energy: -912.689619 where: bonds (distance) C4'-P energy: -173.866 bonds (distance) P-C4' energy: -176.746 flat angles C4'-P-C4' energy: -196.262 flat angles P-C4'-P energy: -116.607 tors. eta vs tors. theta energy: -249.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2693.561087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.561087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.561087 (E_RNA) where: Base-Base interactions energy: -1863.865 where: short stacking energy: -824.756 Base-Backbone interact. energy: -7.275 local terms energy: -822.421243 where: bonds (distance) C4'-P energy: -149.109 bonds (distance) P-C4' energy: -147.908 flat angles C4'-P-C4' energy: -195.574 flat angles P-C4'-P energy: -113.416 tors. eta vs tors. theta energy: -216.414 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: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2354.519976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.519976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.519976 (E_RNA) where: Base-Base interactions energy: -1568.269 where: short stacking energy: -736.919 Base-Backbone interact. energy: -2.997 local terms energy: -783.253742 where: bonds (distance) C4'-P energy: -153.529 bonds (distance) P-C4' energy: -150.672 flat angles C4'-P-C4' energy: -178.828 flat angles P-C4'-P energy: -119.806 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: 6, replica: 8 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2156.044502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.044502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.044502 (E_RNA) where: Base-Base interactions energy: -1425.570 where: short stacking energy: -643.152 Base-Backbone interact. energy: -4.176 local terms energy: -726.298452 where: bonds (distance) C4'-P energy: -183.999 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -159.895 flat angles P-C4'-P energy: -90.494 tors. eta vs tors. theta energy: -147.294 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: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2008.183355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.183355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.183355 (E_RNA) where: Base-Base interactions energy: -1322.422 where: short stacking energy: -632.098 Base-Backbone interact. energy: -1.068 local terms energy: -684.693701 where: bonds (distance) C4'-P energy: -147.578 bonds (distance) P-C4' energy: -160.055 flat angles C4'-P-C4' energy: -156.161 flat angles P-C4'-P energy: -83.119 tors. eta vs tors. theta energy: -137.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1475.740385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.740385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.740385 (E_RNA) where: Base-Base interactions energy: -869.350 where: short stacking energy: -452.543 Base-Backbone interact. energy: -4.723 local terms energy: -601.667955 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -152.862 flat angles C4'-P-C4' energy: -141.380 flat angles P-C4'-P energy: -88.700 tors. eta vs tors. theta energy: -87.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1341.034940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.034940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.034940 (E_RNA) where: Base-Base interactions energy: -798.822 where: short stacking energy: -392.457 Base-Backbone interact. energy: -2.115 local terms energy: -540.098510 where: bonds (distance) C4'-P energy: -125.507 bonds (distance) P-C4' energy: -136.284 flat angles C4'-P-C4' energy: -141.672 flat angles P-C4'-P energy: -88.171 tors. eta vs tors. theta energy: -48.465 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: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -896.215775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.215775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.215775 (E_RNA) where: Base-Base interactions energy: -418.437 where: short stacking energy: -264.431 Base-Backbone interact. energy: 0.537 local terms energy: -478.315116 where: bonds (distance) C4'-P energy: -129.811 bonds (distance) P-C4' energy: -161.602 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: 14.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3214.848061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.848061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.848061 (E_RNA) where: Base-Base interactions energy: -2218.235 where: short stacking energy: -972.348 Base-Backbone interact. energy: -5.323 local terms energy: -991.290326 where: bonds (distance) C4'-P energy: -174.178 bonds (distance) P-C4' energy: -183.753 flat angles C4'-P-C4' energy: -202.921 flat angles P-C4'-P energy: -145.366 tors. eta vs tors. theta energy: -285.073 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: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -3012.800486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.800486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.800486 (E_RNA) where: Base-Base interactions energy: -2045.413 where: short stacking energy: -896.681 Base-Backbone interact. energy: 0.607 local terms energy: -967.993827 where: bonds (distance) C4'-P energy: -173.968 bonds (distance) P-C4' energy: -175.689 flat angles C4'-P-C4' energy: -221.503 flat angles P-C4'-P energy: -140.423 tors. eta vs tors. theta energy: -256.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2930.549833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.549833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.549833 (E_RNA) where: Base-Base interactions energy: -2014.332 where: short stacking energy: -863.578 Base-Backbone interact. energy: -2.833 local terms energy: -913.384868 where: bonds (distance) C4'-P energy: -172.918 bonds (distance) P-C4' energy: -156.462 flat angles C4'-P-C4' energy: -195.679 flat angles P-C4'-P energy: -139.702 tors. eta vs tors. theta energy: -248.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2721.897947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.897947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.897947 (E_RNA) where: Base-Base interactions energy: -1841.315 where: short stacking energy: -819.078 Base-Backbone interact. energy: -3.848 local terms energy: -876.735732 where: bonds (distance) C4'-P energy: -170.983 bonds (distance) P-C4' energy: -174.366 flat angles C4'-P-C4' energy: -178.223 flat angles P-C4'-P energy: -127.290 tors. eta vs tors. theta energy: -225.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2418.040911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.040911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.040911 (E_RNA) where: Base-Base interactions energy: -1622.969 where: short stacking energy: -731.213 Base-Backbone interact. energy: -3.693 local terms energy: -791.378398 where: bonds (distance) C4'-P energy: -167.274 bonds (distance) P-C4' energy: -153.183 flat angles C4'-P-C4' energy: -179.766 flat angles P-C4'-P energy: -107.852 tors. eta vs tors. theta energy: -183.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2112.720110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.720110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.720110 (E_RNA) where: Base-Base interactions energy: -1347.218 where: short stacking energy: -639.606 Base-Backbone interact. energy: -3.668 local terms energy: -761.833615 where: bonds (distance) C4'-P energy: -174.320 bonds (distance) P-C4' energy: -173.048 flat angles C4'-P-C4' energy: -168.514 flat angles P-C4'-P energy: -119.035 tors. eta vs tors. theta energy: -126.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1992.893141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.893141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.893141 (E_RNA) where: Base-Base interactions energy: -1258.046 where: short stacking energy: -592.108 Base-Backbone interact. energy: -6.126 local terms energy: -728.720902 where: bonds (distance) C4'-P energy: -153.909 bonds (distance) P-C4' energy: -161.258 flat angles C4'-P-C4' energy: -170.881 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -159.322 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: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1487.454861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.454861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.454861 (E_RNA) where: Base-Base interactions energy: -941.901 where: short stacking energy: -466.131 Base-Backbone interact. energy: 2.508 local terms energy: -548.062245 where: bonds (distance) C4'-P energy: -151.582 bonds (distance) P-C4' energy: -146.044 flat angles C4'-P-C4' energy: -139.937 flat angles P-C4'-P energy: -70.518 tors. eta vs tors. theta energy: -39.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1325.194937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.194937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.194937 (E_RNA) where: Base-Base interactions energy: -769.478 where: short stacking energy: -406.875 Base-Backbone interact. energy: -2.074 local terms energy: -553.643059 where: bonds (distance) C4'-P energy: -139.619 bonds (distance) P-C4' energy: -157.769 flat angles C4'-P-C4' energy: -140.870 flat angles P-C4'-P energy: -67.390 tors. eta vs tors. theta energy: -47.996 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: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -899.049442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.049442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.049442 (E_RNA) where: Base-Base interactions energy: -417.455 where: short stacking energy: -263.525 Base-Backbone interact. energy: -4.074 local terms energy: -477.520775 where: bonds (distance) C4'-P energy: -150.551 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -117.047 flat angles P-C4'-P energy: -50.556 tors. eta vs tors. theta energy: -1.872 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: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3185.535114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.535114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.535114 (E_RNA) where: Base-Base interactions energy: -2190.772 where: short stacking energy: -986.640 Base-Backbone interact. energy: -5.596 local terms energy: -989.167417 where: bonds (distance) C4'-P energy: -164.768 bonds (distance) P-C4' energy: -192.703 flat angles C4'-P-C4' energy: -211.552 flat angles P-C4'-P energy: -141.260 tors. eta vs tors. theta energy: -278.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -3038.403642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.403642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.403642 (E_RNA) where: Base-Base interactions energy: -2122.029 where: short stacking energy: -907.114 Base-Backbone interact. energy: -6.263 local terms energy: -910.112004 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -159.950 flat angles C4'-P-C4' energy: -195.748 flat angles P-C4'-P energy: -146.907 tors. eta vs tors. theta energy: -244.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2957.425828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.425828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.425828 (E_RNA) where: Base-Base interactions energy: -2009.277 where: short stacking energy: -888.093 Base-Backbone interact. energy: -7.578 local terms energy: -940.571775 where: bonds (distance) C4'-P energy: -170.339 bonds (distance) P-C4' energy: -171.159 flat angles C4'-P-C4' energy: -205.801 flat angles P-C4'-P energy: -129.419 tors. eta vs tors. theta energy: -263.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2723.077370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.077370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.077370 (E_RNA) where: Base-Base interactions energy: -1871.459 where: short stacking energy: -834.942 Base-Backbone interact. energy: -3.672 local terms energy: -847.947093 where: bonds (distance) C4'-P energy: -148.649 bonds (distance) P-C4' energy: -179.649 flat angles C4'-P-C4' energy: -178.966 flat angles P-C4'-P energy: -131.638 tors. eta vs tors. theta energy: -209.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2445.646372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.646372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.646372 (E_RNA) where: Base-Base interactions energy: -1589.838 where: short stacking energy: -734.861 Base-Backbone interact. energy: 3.154 local terms energy: -858.962587 where: bonds (distance) C4'-P energy: -164.785 bonds (distance) P-C4' energy: -175.015 flat angles C4'-P-C4' energy: -200.099 flat angles P-C4'-P energy: -123.777 tors. eta vs tors. theta energy: -195.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2111.338148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.338148 (E_RNA) where: Base-Base interactions energy: -1398.929 where: short stacking energy: -634.927 Base-Backbone interact. energy: 2.999 local terms energy: -715.408088 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -164.854 flat angles C4'-P-C4' energy: -175.603 flat angles P-C4'-P energy: -119.034 tors. eta vs tors. theta energy: -133.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1990.351659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.351659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.351659 (E_RNA) where: Base-Base interactions energy: -1315.833 where: short stacking energy: -608.514 Base-Backbone interact. energy: -1.705 local terms energy: -672.813872 where: bonds (distance) C4'-P energy: -148.837 bonds (distance) P-C4' energy: -127.963 flat angles C4'-P-C4' energy: -176.301 flat angles P-C4'-P energy: -97.470 tors. eta vs tors. theta energy: -122.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1463.068319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.068319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.068319 (E_RNA) where: Base-Base interactions energy: -863.564 where: short stacking energy: -440.458 Base-Backbone interact. energy: -0.954 local terms energy: -598.550473 where: bonds (distance) C4'-P energy: -155.990 bonds (distance) P-C4' energy: -160.953 flat angles C4'-P-C4' energy: -134.869 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -64.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1325.038916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.038916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.038916 (E_RNA) where: Base-Base interactions energy: -770.809 where: short stacking energy: -392.892 Base-Backbone interact. energy: 5.936 local terms energy: -560.165799 where: bonds (distance) C4'-P energy: -124.858 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -150.693 flat angles P-C4'-P energy: -83.765 tors. eta vs tors. theta energy: -44.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -846.353919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.353919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.353919 (E_RNA) where: Base-Base interactions energy: -380.009 where: short stacking energy: -259.261 Base-Backbone interact. energy: 1.522 local terms energy: -467.867429 where: bonds (distance) C4'-P energy: -150.002 bonds (distance) P-C4' energy: -152.414 flat angles C4'-P-C4' energy: -133.458 flat angles P-C4'-P energy: -46.809 tors. eta vs tors. theta energy: 14.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3201.183340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.183340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.183340 (E_RNA) where: Base-Base interactions energy: -2202.890 where: short stacking energy: -961.393 Base-Backbone interact. energy: -5.844 local terms energy: -992.449064 where: bonds (distance) C4'-P energy: -182.087 bonds (distance) P-C4' energy: -182.240 flat angles C4'-P-C4' energy: -220.845 flat angles P-C4'-P energy: -136.319 tors. eta vs tors. theta energy: -270.958 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: 176 Temperature: 0.950000 Total energy: -3019.869937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.869937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.869937 (E_RNA) where: Base-Base interactions energy: -2074.673 where: short stacking energy: -886.866 Base-Backbone interact. energy: -1.846 local terms energy: -943.350843 where: bonds (distance) C4'-P energy: -170.158 bonds (distance) P-C4' energy: -179.688 flat angles C4'-P-C4' energy: -201.214 flat angles P-C4'-P energy: -146.109 tors. eta vs tors. theta energy: -246.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2944.190912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.190912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.190912 (E_RNA) where: Base-Base interactions energy: -2045.500 where: short stacking energy: -897.273 Base-Backbone interact. energy: -6.052 local terms energy: -892.638909 where: bonds (distance) C4'-P energy: -165.509 bonds (distance) P-C4' energy: -164.240 flat angles C4'-P-C4' energy: -194.221 flat angles P-C4'-P energy: -116.932 tors. eta vs tors. theta energy: -251.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2717.874851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.874851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.874851 (E_RNA) where: Base-Base interactions energy: -1833.684 where: short stacking energy: -814.359 Base-Backbone interact. energy: -6.323 local terms energy: -877.867739 where: bonds (distance) C4'-P energy: -145.109 bonds (distance) P-C4' energy: -173.212 flat angles C4'-P-C4' energy: -197.242 flat angles P-C4'-P energy: -120.728 tors. eta vs tors. theta energy: -241.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2391.054990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.054990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.054990 (E_RNA) where: Base-Base interactions energy: -1601.332 where: short stacking energy: -700.108 Base-Backbone interact. energy: -6.305 local terms energy: -783.418586 where: bonds (distance) C4'-P energy: -147.968 bonds (distance) P-C4' energy: -179.849 flat angles C4'-P-C4' energy: -179.057 flat angles P-C4'-P energy: -112.648 tors. eta vs tors. theta energy: -163.896 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: 176 Temperature: 1.150000 Total energy: -2155.592772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.592772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.592772 (E_RNA) where: Base-Base interactions energy: -1412.131 where: short stacking energy: -615.799 Base-Backbone interact. energy: -2.946 local terms energy: -740.515724 where: bonds (distance) C4'-P energy: -142.579 bonds (distance) P-C4' energy: -153.762 flat angles C4'-P-C4' energy: -167.312 flat angles P-C4'-P energy: -110.453 tors. eta vs tors. theta energy: -166.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2060.305952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.305952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.305952 (E_RNA) where: Base-Base interactions energy: -1337.423 where: short stacking energy: -604.963 Base-Backbone interact. energy: -1.041 local terms energy: -721.841530 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -162.637 flat angles C4'-P-C4' energy: -182.008 flat angles P-C4'-P energy: -102.575 tors. eta vs tors. theta energy: -144.870 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: 8, replica: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1398.011926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.011926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.011926 (E_RNA) where: Base-Base interactions energy: -789.480 where: short stacking energy: -394.622 Base-Backbone interact. energy: 4.127 local terms energy: -612.659389 where: bonds (distance) C4'-P energy: -157.219 bonds (distance) P-C4' energy: -173.083 flat angles C4'-P-C4' energy: -145.502 flat angles P-C4'-P energy: -77.548 tors. eta vs tors. theta energy: -59.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1428.512702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.512702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.512702 (E_RNA) where: Base-Base interactions energy: -850.681 where: short stacking energy: -400.774 Base-Backbone interact. energy: 7.323 local terms energy: -585.154500 where: bonds (distance) C4'-P energy: -152.480 bonds (distance) P-C4' energy: -148.643 flat angles C4'-P-C4' energy: -126.240 flat angles P-C4'-P energy: -98.028 tors. eta vs tors. theta energy: -59.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -845.385587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.385587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.385587 (E_RNA) where: Base-Base interactions energy: -372.306 where: short stacking energy: -253.175 Base-Backbone interact. energy: 1.471 local terms energy: -474.550165 where: bonds (distance) C4'-P energy: -155.871 bonds (distance) P-C4' energy: -128.857 flat angles C4'-P-C4' energy: -114.980 flat angles P-C4'-P energy: -82.518 tors. eta vs tors. theta energy: 7.675 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: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3163.014066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.014066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.014066 (E_RNA) where: Base-Base interactions energy: -2186.134 where: short stacking energy: -932.636 Base-Backbone interact. energy: -9.859 local terms energy: -967.020718 where: bonds (distance) C4'-P energy: -165.608 bonds (distance) P-C4' energy: -190.777 flat angles C4'-P-C4' energy: -205.999 flat angles P-C4'-P energy: -134.056 tors. eta vs tors. theta energy: -270.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -3047.017408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.017408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.017408 (E_RNA) where: Base-Base interactions energy: -2099.959 where: short stacking energy: -906.553 Base-Backbone interact. energy: -8.590 local terms energy: -938.467957 where: bonds (distance) C4'-P energy: -166.112 bonds (distance) P-C4' energy: -173.039 flat angles C4'-P-C4' energy: -204.044 flat angles P-C4'-P energy: -138.721 tors. eta vs tors. theta energy: -256.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2948.580687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.580687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.580687 (E_RNA) where: Base-Base interactions energy: -2068.993 where: short stacking energy: -864.496 Base-Backbone interact. energy: -3.881 local terms energy: -875.707007 where: bonds (distance) C4'-P energy: -170.722 bonds (distance) P-C4' energy: -172.585 flat angles C4'-P-C4' energy: -173.453 flat angles P-C4'-P energy: -130.404 tors. eta vs tors. theta energy: -228.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2696.685940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.685940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.685940 (E_RNA) where: Base-Base interactions energy: -1817.193 where: short stacking energy: -806.031 Base-Backbone interact. energy: -9.789 local terms energy: -869.703794 where: bonds (distance) C4'-P energy: -163.886 bonds (distance) P-C4' energy: -195.484 flat angles C4'-P-C4' energy: -187.341 flat angles P-C4'-P energy: -107.878 tors. eta vs tors. theta energy: -215.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2411.748404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.748404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.748404 (E_RNA) where: Base-Base interactions energy: -1606.675 where: short stacking energy: -706.753 Base-Backbone interact. energy: -1.648 local terms energy: -803.425174 where: bonds (distance) C4'-P energy: -165.514 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -183.415 flat angles P-C4'-P energy: -122.217 tors. eta vs tors. theta energy: -173.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2228.790228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.790228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.790228 (E_RNA) where: Base-Base interactions energy: -1458.425 where: short stacking energy: -657.536 Base-Backbone interact. energy: -0.612 local terms energy: -769.754162 where: bonds (distance) C4'-P energy: -161.824 bonds (distance) P-C4' energy: -170.857 flat angles C4'-P-C4' energy: -184.057 flat angles P-C4'-P energy: -103.444 tors. eta vs tors. theta energy: -149.572 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: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1961.897937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.897937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.897937 (E_RNA) where: Base-Base interactions energy: -1241.955 where: short stacking energy: -547.256 Base-Backbone interact. energy: -3.337 local terms energy: -716.606280 where: bonds (distance) C4'-P energy: -161.486 bonds (distance) P-C4' energy: -171.799 flat angles C4'-P-C4' energy: -155.579 flat angles P-C4'-P energy: -98.493 tors. eta vs tors. theta energy: -129.250 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: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1429.619109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.619109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.619109 (E_RNA) where: Base-Base interactions energy: -832.373 where: short stacking energy: -431.050 Base-Backbone interact. energy: -2.346 local terms energy: -594.900357 where: bonds (distance) C4'-P energy: -177.632 bonds (distance) P-C4' energy: -164.234 flat angles C4'-P-C4' energy: -135.444 flat angles P-C4'-P energy: -73.718 tors. eta vs tors. theta energy: -43.872 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: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1387.042996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.042996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.042996 (E_RNA) where: Base-Base interactions energy: -810.559 where: short stacking energy: -428.311 Base-Backbone interact. energy: -1.428 local terms energy: -575.055997 where: bonds (distance) C4'-P energy: -153.007 bonds (distance) P-C4' energy: -164.430 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -73.394 tors. eta vs tors. theta energy: -38.218 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: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -862.832708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.832708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.832708 (E_RNA) where: Base-Base interactions energy: -386.857 where: short stacking energy: -239.654 Base-Backbone interact. energy: -2.341 local terms energy: -473.634983 where: bonds (distance) C4'-P energy: -133.895 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -146.269 flat angles P-C4'-P energy: -77.627 tors. eta vs tors. theta energy: 27.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3237.300585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.300585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.300585 (E_RNA) where: Base-Base interactions energy: -2213.198 where: short stacking energy: -967.240 Base-Backbone interact. energy: -1.041 local terms energy: -1023.061873 where: bonds (distance) C4'-P energy: -184.618 bonds (distance) P-C4' energy: -174.196 flat angles C4'-P-C4' energy: -223.364 flat angles P-C4'-P energy: -150.564 tors. eta vs tors. theta energy: -290.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -3059.459929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.459929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.459929 (E_RNA) where: Base-Base interactions energy: -2122.640 where: short stacking energy: -913.765 Base-Backbone interact. energy: -6.837 local terms energy: -929.982133 where: bonds (distance) C4'-P energy: -184.931 bonds (distance) P-C4' energy: -177.322 flat angles C4'-P-C4' energy: -204.616 flat angles P-C4'-P energy: -114.219 tors. eta vs tors. theta energy: -248.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2917.101716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.101716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.101716 (E_RNA) where: Base-Base interactions energy: -1996.061 where: short stacking energy: -850.375 Base-Backbone interact. energy: -6.581 local terms energy: -914.459163 where: bonds (distance) C4'-P energy: -174.465 bonds (distance) P-C4' energy: -160.916 flat angles C4'-P-C4' energy: -207.944 flat angles P-C4'-P energy: -124.246 tors. eta vs tors. theta energy: -246.888 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: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2672.343993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.343993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.343993 (E_RNA) where: Base-Base interactions energy: -1815.765 where: short stacking energy: -811.531 Base-Backbone interact. energy: -2.980 local terms energy: -853.599087 where: bonds (distance) C4'-P energy: -158.422 bonds (distance) P-C4' energy: -168.086 flat angles C4'-P-C4' energy: -181.763 flat angles P-C4'-P energy: -126.394 tors. eta vs tors. theta energy: -218.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2383.419652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.419652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.419652 (E_RNA) where: Base-Base interactions energy: -1568.089 where: short stacking energy: -714.726 Base-Backbone interact. energy: -4.998 local terms energy: -810.333126 where: bonds (distance) C4'-P energy: -156.117 bonds (distance) P-C4' energy: -166.279 flat angles C4'-P-C4' energy: -183.551 flat angles P-C4'-P energy: -115.375 tors. eta vs tors. theta energy: -189.011 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: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2287.450782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.450782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.450782 (E_RNA) where: Base-Base interactions energy: -1505.063 where: short stacking energy: -705.724 Base-Backbone interact. energy: -1.278 local terms energy: -781.109367 where: bonds (distance) C4'-P energy: -159.902 bonds (distance) P-C4' energy: -164.684 flat angles C4'-P-C4' energy: -187.296 flat angles P-C4'-P energy: -92.181 tors. eta vs tors. theta energy: -177.047 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: 178 Temperature: 1.200000 Total energy: -1984.863074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.863074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.863074 (E_RNA) where: Base-Base interactions energy: -1278.569 where: short stacking energy: -606.511 Base-Backbone interact. energy: 2.635 local terms energy: -708.928796 where: bonds (distance) C4'-P energy: -155.690 bonds (distance) P-C4' energy: -153.498 flat angles C4'-P-C4' energy: -166.901 flat angles P-C4'-P energy: -100.804 tors. eta vs tors. theta energy: -132.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1368.608175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.608175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.608175 (E_RNA) where: Base-Base interactions energy: -782.176 where: short stacking energy: -393.923 Base-Backbone interact. energy: 1.133 local terms energy: -587.565217 where: bonds (distance) C4'-P energy: -162.346 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -152.409 flat angles P-C4'-P energy: -76.479 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: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1334.528531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.528531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.528531 (E_RNA) where: Base-Base interactions energy: -800.140 where: short stacking energy: -398.571 Base-Backbone interact. energy: 0.806 local terms energy: -535.194913 where: bonds (distance) C4'-P energy: -152.287 bonds (distance) P-C4' energy: -150.083 flat angles C4'-P-C4' energy: -132.562 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -29.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -899.226713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.226713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.226713 (E_RNA) where: Base-Base interactions energy: -408.866 where: short stacking energy: -271.377 Base-Backbone interact. energy: -1.605 local terms energy: -488.755418 where: bonds (distance) C4'-P energy: -138.259 bonds (distance) P-C4' energy: -147.408 flat angles C4'-P-C4' energy: -116.842 flat angles P-C4'-P energy: -82.512 tors. eta vs tors. theta energy: -3.734 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: 179 Temperature: 0.900000 Total energy: -3220.031276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.031276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.031276 (E_RNA) where: Base-Base interactions energy: -2247.990 where: short stacking energy: -989.686 Base-Backbone interact. energy: -8.004 local terms energy: -964.037535 where: bonds (distance) C4'-P energy: -178.036 bonds (distance) P-C4' energy: -166.847 flat angles C4'-P-C4' energy: -207.767 flat angles P-C4'-P energy: -124.869 tors. eta vs tors. theta energy: -286.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -3028.987151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.987151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.987151 (E_RNA) where: Base-Base interactions energy: -2098.201 where: short stacking energy: -928.199 Base-Backbone interact. energy: -4.252 local terms energy: -926.534265 where: bonds (distance) C4'-P energy: -162.447 bonds (distance) P-C4' energy: -171.585 flat angles C4'-P-C4' energy: -202.110 flat angles P-C4'-P energy: -128.889 tors. eta vs tors. theta energy: -261.503 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: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2945.664432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.664432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.664432 (E_RNA) where: Base-Base interactions energy: -2050.859 where: short stacking energy: -852.198 Base-Backbone interact. energy: -3.858 local terms energy: -890.947511 where: bonds (distance) C4'-P energy: -148.597 bonds (distance) P-C4' energy: -167.614 flat angles C4'-P-C4' energy: -199.820 flat angles P-C4'-P energy: -134.584 tors. eta vs tors. theta energy: -240.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2637.983970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.983970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.983970 (E_RNA) where: Base-Base interactions energy: -1778.753 where: short stacking energy: -804.294 Base-Backbone interact. energy: -5.000 local terms energy: -854.231087 where: bonds (distance) C4'-P energy: -161.505 bonds (distance) P-C4' energy: -165.723 flat angles C4'-P-C4' energy: -193.933 flat angles P-C4'-P energy: -114.273 tors. eta vs tors. theta energy: -218.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2422.533795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.533795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.533795 (E_RNA) where: Base-Base interactions energy: -1618.806 where: short stacking energy: -766.102 Base-Backbone interact. energy: 5.739 local terms energy: -809.466757 where: bonds (distance) C4'-P energy: -170.835 bonds (distance) P-C4' energy: -159.983 flat angles C4'-P-C4' energy: -188.444 flat angles P-C4'-P energy: -96.835 tors. eta vs tors. theta energy: -193.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2314.145846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.145846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.145846 (E_RNA) where: Base-Base interactions energy: -1508.103 where: short stacking energy: -700.165 Base-Backbone interact. energy: -0.459 local terms energy: -805.584416 where: bonds (distance) C4'-P energy: -167.156 bonds (distance) P-C4' energy: -171.461 flat angles C4'-P-C4' energy: -178.061 flat angles P-C4'-P energy: -112.395 tors. eta vs tors. theta energy: -176.512 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: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1990.753203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.753203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.753203 (E_RNA) where: Base-Base interactions energy: -1259.486 where: short stacking energy: -610.678 Base-Backbone interact. energy: 6.418 local terms energy: -737.685386 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -156.764 flat angles C4'-P-C4' energy: -177.690 flat angles P-C4'-P energy: -106.948 tors. eta vs tors. theta energy: -157.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1479.156213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.156213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.156213 (E_RNA) where: Base-Base interactions energy: -877.595 where: short stacking energy: -438.908 Base-Backbone interact. energy: -3.262 local terms energy: -598.299195 where: bonds (distance) C4'-P energy: -135.041 bonds (distance) P-C4' energy: -157.934 flat angles C4'-P-C4' energy: -148.673 flat angles P-C4'-P energy: -94.867 tors. eta vs tors. theta energy: -61.783 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: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1294.711560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.711560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.711560 (E_RNA) where: Base-Base interactions energy: -720.189 where: short stacking energy: -355.964 Base-Backbone interact. energy: -2.226 local terms energy: -572.296422 where: bonds (distance) C4'-P energy: -155.824 bonds (distance) P-C4' energy: -180.769 flat angles C4'-P-C4' energy: -114.232 flat angles P-C4'-P energy: -85.784 tors. eta vs tors. theta energy: -35.688 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: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -939.676407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.676407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.676407 (E_RNA) where: Base-Base interactions energy: -450.168 where: short stacking energy: -291.877 Base-Backbone interact. energy: 8.462 local terms energy: -497.970750 where: bonds (distance) C4'-P energy: -170.190 bonds (distance) P-C4' energy: -144.603 flat angles C4'-P-C4' energy: -95.442 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3208.621677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.621677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.621677 (E_RNA) where: Base-Base interactions energy: -2193.878 where: short stacking energy: -963.058 Base-Backbone interact. energy: -6.668 local terms energy: -1008.076277 where: bonds (distance) C4'-P energy: -172.972 bonds (distance) P-C4' energy: -188.294 flat angles C4'-P-C4' energy: -213.587 flat angles P-C4'-P energy: -144.469 tors. eta vs tors. theta energy: -288.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -3060.213711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.213711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.213711 (E_RNA) where: Base-Base interactions energy: -2071.089 where: short stacking energy: -904.774 Base-Backbone interact. energy: -3.327 local terms energy: -985.796718 where: bonds (distance) C4'-P energy: -179.270 bonds (distance) P-C4' energy: -184.809 flat angles C4'-P-C4' energy: -209.416 flat angles P-C4'-P energy: -157.058 tors. eta vs tors. theta energy: -255.244 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: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -3022.044867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.044867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.044867 (E_RNA) where: Base-Base interactions energy: -2094.487 where: short stacking energy: -897.689 Base-Backbone interact. energy: -6.372 local terms energy: -921.186455 where: bonds (distance) C4'-P energy: -161.570 bonds (distance) P-C4' energy: -166.461 flat angles C4'-P-C4' energy: -205.011 flat angles P-C4'-P energy: -136.002 tors. eta vs tors. theta energy: -252.142 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: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2607.738187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.738187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.738187 (E_RNA) where: Base-Base interactions energy: -1776.169 where: short stacking energy: -779.013 Base-Backbone interact. energy: -1.106 local terms energy: -830.463282 where: bonds (distance) C4'-P energy: -145.387 bonds (distance) P-C4' energy: -169.814 flat angles C4'-P-C4' energy: -211.549 flat angles P-C4'-P energy: -109.950 tors. eta vs tors. theta energy: -193.764 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: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2467.470380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.470380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.470380 (E_RNA) where: Base-Base interactions energy: -1691.114 where: short stacking energy: -740.460 Base-Backbone interact. energy: -2.451 local terms energy: -773.905075 where: bonds (distance) C4'-P energy: -155.164 bonds (distance) P-C4' energy: -156.604 flat angles C4'-P-C4' energy: -172.613 flat angles P-C4'-P energy: -108.276 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: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2204.213457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.213457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.213457 (E_RNA) where: Base-Base interactions energy: -1477.380 where: short stacking energy: -672.000 Base-Backbone interact. energy: -3.421 local terms energy: -723.413335 where: bonds (distance) C4'-P energy: -135.083 bonds (distance) P-C4' energy: -168.093 flat angles C4'-P-C4' energy: -165.757 flat angles P-C4'-P energy: -99.980 tors. eta vs tors. theta energy: -154.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1999.108574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.108574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.108574 (E_RNA) where: Base-Base interactions energy: -1308.468 where: short stacking energy: -604.712 Base-Backbone interact. energy: 1.462 local terms energy: -692.102248 where: bonds (distance) C4'-P energy: -159.583 bonds (distance) P-C4' energy: -135.455 flat angles C4'-P-C4' energy: -170.336 flat angles P-C4'-P energy: -88.604 tors. eta vs tors. theta energy: -138.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1521.045377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.045377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.045377 (E_RNA) where: Base-Base interactions energy: -916.154 where: short stacking energy: -444.663 Base-Backbone interact. energy: 3.505 local terms energy: -608.396120 where: bonds (distance) C4'-P energy: -149.687 bonds (distance) P-C4' energy: -165.148 flat angles C4'-P-C4' energy: -123.486 flat angles P-C4'-P energy: -93.595 tors. eta vs tors. theta energy: -76.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1217.676418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.676418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.676418 (E_RNA) where: Base-Base interactions energy: -687.747 where: short stacking energy: -379.736 Base-Backbone interact. energy: 4.205 local terms energy: -534.134548 where: bonds (distance) C4'-P energy: -126.043 bonds (distance) P-C4' energy: -165.523 flat angles C4'-P-C4' energy: -132.029 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -28.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -917.014026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.014026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.014026 (E_RNA) where: Base-Base interactions energy: -429.666 where: short stacking energy: -268.444 Base-Backbone interact. energy: 3.501 local terms energy: -490.849364 where: bonds (distance) C4'-P energy: -135.814 bonds (distance) P-C4' energy: -171.702 flat angles C4'-P-C4' energy: -133.916 flat angles P-C4'-P energy: -72.127 tors. eta vs tors. theta energy: 22.709 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3200.776280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.776280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.776280 (E_RNA) where: Base-Base interactions energy: -2213.166 where: short stacking energy: -985.398 Base-Backbone interact. energy: -2.921 local terms energy: -984.689421 where: bonds (distance) C4'-P energy: -176.031 bonds (distance) P-C4' energy: -165.736 flat angles C4'-P-C4' energy: -202.251 flat angles P-C4'-P energy: -150.245 tors. eta vs tors. theta energy: -290.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -3064.929071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.929071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.929071 (E_RNA) where: Base-Base interactions energy: -2129.665 where: short stacking energy: -886.590 Base-Backbone interact. energy: -3.060 local terms energy: -932.203968 where: bonds (distance) C4'-P energy: -170.942 bonds (distance) P-C4' energy: -200.306 flat angles C4'-P-C4' energy: -195.025 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -252.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2996.279819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.279819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.279819 (E_RNA) where: Base-Base interactions energy: -2098.634 where: short stacking energy: -893.265 Base-Backbone interact. energy: -2.456 local terms energy: -895.189867 where: bonds (distance) C4'-P energy: -171.746 bonds (distance) P-C4' energy: -172.283 flat angles C4'-P-C4' energy: -196.734 flat angles P-C4'-P energy: -123.068 tors. eta vs tors. theta energy: -231.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2616.596143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.596143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.596143 (E_RNA) where: Base-Base interactions energy: -1785.929 where: short stacking energy: -778.375 Base-Backbone interact. energy: -10.521 local terms energy: -820.146996 where: bonds (distance) C4'-P energy: -177.226 bonds (distance) P-C4' energy: -151.585 flat angles C4'-P-C4' energy: -184.681 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -199.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2462.295994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.295994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.295994 (E_RNA) where: Base-Base interactions energy: -1687.415 where: short stacking energy: -753.443 Base-Backbone interact. energy: 0.853 local terms energy: -775.734397 where: bonds (distance) C4'-P energy: -149.213 bonds (distance) P-C4' energy: -159.253 flat angles C4'-P-C4' energy: -175.412 flat angles P-C4'-P energy: -102.554 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: 6, replica: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2206.272860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.272860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.272860 (E_RNA) where: Base-Base interactions energy: -1470.544 where: short stacking energy: -667.493 Base-Backbone interact. energy: -0.304 local terms energy: -735.424811 where: bonds (distance) C4'-P energy: -150.153 bonds (distance) P-C4' energy: -162.200 flat angles C4'-P-C4' energy: -175.545 flat angles P-C4'-P energy: -108.765 tors. eta vs tors. theta energy: -138.762 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: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1954.398820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.398820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.398820 (E_RNA) where: Base-Base interactions energy: -1255.891 where: short stacking energy: -539.519 Base-Backbone interact. energy: -3.434 local terms energy: -695.073806 where: bonds (distance) C4'-P energy: -151.159 bonds (distance) P-C4' energy: -188.065 flat angles C4'-P-C4' energy: -163.927 flat angles P-C4'-P energy: -80.209 tors. eta vs tors. theta energy: -111.714 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: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1526.454322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.454322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.454322 (E_RNA) where: Base-Base interactions energy: -931.488 where: short stacking energy: -451.388 Base-Backbone interact. energy: -3.102 local terms energy: -591.864719 where: bonds (distance) C4'-P energy: -132.712 bonds (distance) P-C4' energy: -138.023 flat angles C4'-P-C4' energy: -168.967 flat angles P-C4'-P energy: -89.518 tors. eta vs tors. theta energy: -62.645 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: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1263.810272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.810272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.810272 (E_RNA) where: Base-Base interactions energy: -683.840 where: short stacking energy: -364.108 Base-Backbone interact. energy: 0.708 local terms energy: -580.678223 where: bonds (distance) C4'-P energy: -163.935 bonds (distance) P-C4' energy: -155.538 flat angles C4'-P-C4' energy: -149.993 flat angles P-C4'-P energy: -74.516 tors. eta vs tors. theta energy: -36.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -879.552079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.552079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.552079 (E_RNA) where: Base-Base interactions energy: -392.091 where: short stacking energy: -238.822 Base-Backbone interact. energy: -3.284 local terms energy: -484.176296 where: bonds (distance) C4'-P energy: -163.365 bonds (distance) P-C4' energy: -140.494 flat angles C4'-P-C4' energy: -126.337 flat angles P-C4'-P energy: -72.711 tors. eta vs tors. theta energy: 18.731 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: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3227.541661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.541661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.541661 (E_RNA) where: Base-Base interactions energy: -2237.016 where: short stacking energy: -980.590 Base-Backbone interact. energy: -1.332 local terms energy: -989.193474 where: bonds (distance) C4'-P energy: -168.458 bonds (distance) P-C4' energy: -177.338 flat angles C4'-P-C4' energy: -217.030 flat angles P-C4'-P energy: -160.646 tors. eta vs tors. theta energy: -265.721 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: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -3026.030495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.030495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.030495 (E_RNA) where: Base-Base interactions energy: -2088.441 where: short stacking energy: -885.011 Base-Backbone interact. energy: -4.846 local terms energy: -932.743895 where: bonds (distance) C4'-P energy: -176.178 bonds (distance) P-C4' energy: -176.123 flat angles C4'-P-C4' energy: -205.411 flat angles P-C4'-P energy: -131.392 tors. eta vs tors. theta energy: -243.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2992.766730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.766730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.766730 (E_RNA) where: Base-Base interactions energy: -2102.303 where: short stacking energy: -858.902 Base-Backbone interact. energy: -5.635 local terms energy: -884.828053 where: bonds (distance) C4'-P energy: -158.888 bonds (distance) P-C4' energy: -166.364 flat angles C4'-P-C4' energy: -197.890 flat angles P-C4'-P energy: -121.035 tors. eta vs tors. theta energy: -240.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2649.308103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.308103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.308103 (E_RNA) where: Base-Base interactions energy: -1834.635 where: short stacking energy: -767.991 Base-Backbone interact. energy: -4.335 local terms energy: -810.337772 where: bonds (distance) C4'-P energy: -137.819 bonds (distance) P-C4' energy: -170.981 flat angles C4'-P-C4' energy: -181.804 flat angles P-C4'-P energy: -116.290 tors. eta vs tors. theta energy: -203.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2500.095010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.095010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.095010 (E_RNA) where: Base-Base interactions energy: -1693.638 where: short stacking energy: -730.102 Base-Backbone interact. energy: -5.375 local terms energy: -801.082131 where: bonds (distance) C4'-P energy: -146.471 bonds (distance) P-C4' energy: -159.477 flat angles C4'-P-C4' energy: -188.109 flat angles P-C4'-P energy: -119.724 tors. eta vs tors. theta energy: -187.301 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: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2213.543200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.543200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.543200 (E_RNA) where: Base-Base interactions energy: -1470.728 where: short stacking energy: -647.457 Base-Backbone interact. energy: -4.098 local terms energy: -738.717540 where: bonds (distance) C4'-P energy: -165.280 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -168.610 flat angles P-C4'-P energy: -116.542 tors. eta vs tors. theta energy: -142.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1947.666481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.666481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.666481 (E_RNA) where: Base-Base interactions energy: -1257.222 where: short stacking energy: -546.855 Base-Backbone interact. energy: 0.116 local terms energy: -690.560660 where: bonds (distance) C4'-P energy: -155.890 bonds (distance) P-C4' energy: -148.560 flat angles C4'-P-C4' energy: -165.203 flat angles P-C4'-P energy: -112.229 tors. eta vs tors. theta energy: -108.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1536.502276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.502276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.502276 (E_RNA) where: Base-Base interactions energy: -895.642 where: short stacking energy: -407.147 Base-Backbone interact. energy: -2.418 local terms energy: -638.441974 where: bonds (distance) C4'-P energy: -137.095 bonds (distance) P-C4' energy: -183.836 flat angles C4'-P-C4' energy: -154.066 flat angles P-C4'-P energy: -94.837 tors. eta vs tors. theta energy: -68.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1293.895498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.895498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.895498 (E_RNA) where: Base-Base interactions energy: -724.407 where: short stacking energy: -364.180 Base-Backbone interact. energy: 1.371 local terms energy: -570.859591 where: bonds (distance) C4'-P energy: -158.830 bonds (distance) P-C4' energy: -141.371 flat angles C4'-P-C4' energy: -140.698 flat angles P-C4'-P energy: -89.787 tors. eta vs tors. theta energy: -40.173 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -899.139140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.139140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.139140 (E_RNA) where: Base-Base interactions energy: -433.599 where: short stacking energy: -244.691 Base-Backbone interact. energy: 2.137 local terms energy: -467.677088 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -160.035 flat angles C4'-P-C4' energy: -110.572 flat angles P-C4'-P energy: -79.271 tors. eta vs tors. theta energy: 18.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3207.346497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.346497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.346497 (E_RNA) where: Base-Base interactions energy: -2216.752 where: short stacking energy: -952.234 Base-Backbone interact. energy: -5.881 local terms energy: -984.713320 where: bonds (distance) C4'-P energy: -185.869 bonds (distance) P-C4' energy: -171.120 flat angles C4'-P-C4' energy: -211.257 flat angles P-C4'-P energy: -138.683 tors. eta vs tors. theta energy: -277.785 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: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -3022.986985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.986985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.986985 (E_RNA) where: Base-Base interactions energy: -2104.342 where: short stacking energy: -869.875 Base-Backbone interact. energy: -5.504 local terms energy: -913.141440 where: bonds (distance) C4'-P energy: -184.485 bonds (distance) P-C4' energy: -185.882 flat angles C4'-P-C4' energy: -188.417 flat angles P-C4'-P energy: -131.359 tors. eta vs tors. theta energy: -222.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2969.891208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.891208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.891208 (E_RNA) where: Base-Base interactions energy: -2047.973 where: short stacking energy: -893.009 Base-Backbone interact. energy: -2.678 local terms energy: -919.240215 where: bonds (distance) C4'-P energy: -172.598 bonds (distance) P-C4' energy: -165.780 flat angles C4'-P-C4' energy: -197.666 flat angles P-C4'-P energy: -130.123 tors. eta vs tors. theta energy: -253.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2702.568128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.568128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.568128 (E_RNA) where: Base-Base interactions energy: -1838.058 where: short stacking energy: -804.355 Base-Backbone interact. energy: -7.862 local terms energy: -856.648193 where: bonds (distance) C4'-P energy: -162.175 bonds (distance) P-C4' energy: -182.612 flat angles C4'-P-C4' energy: -177.307 flat angles P-C4'-P energy: -118.637 tors. eta vs tors. theta energy: -215.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2431.148908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.148908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.148908 (E_RNA) where: Base-Base interactions energy: -1617.730 where: short stacking energy: -729.831 Base-Backbone interact. energy: -4.573 local terms energy: -808.846833 where: bonds (distance) C4'-P energy: -155.865 bonds (distance) P-C4' energy: -164.869 flat angles C4'-P-C4' energy: -188.762 flat angles P-C4'-P energy: -110.030 tors. eta vs tors. theta energy: -189.320 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: 6, replica: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2273.855696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.855696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.855696 (E_RNA) where: Base-Base interactions energy: -1522.621 where: short stacking energy: -668.474 Base-Backbone interact. energy: -0.617 local terms energy: -750.617503 where: bonds (distance) C4'-P energy: -157.605 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -187.260 flat angles P-C4'-P energy: -105.156 tors. eta vs tors. theta energy: -144.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2000.217161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.217161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.217161 (E_RNA) where: Base-Base interactions energy: -1284.641 where: short stacking energy: -593.033 Base-Backbone interact. energy: 1.295 local terms energy: -716.871874 where: bonds (distance) C4'-P energy: -155.691 bonds (distance) P-C4' energy: -141.174 flat angles C4'-P-C4' energy: -169.016 flat angles P-C4'-P energy: -119.375 tors. eta vs tors. theta energy: -131.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1522.990803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.990803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.990803 (E_RNA) where: Base-Base interactions energy: -934.611 where: short stacking energy: -478.366 Base-Backbone interact. energy: -1.837 local terms energy: -586.542847 where: bonds (distance) C4'-P energy: -119.674 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -151.685 flat angles P-C4'-P energy: -85.302 tors. eta vs tors. theta energy: -81.817 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: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1346.471699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.471699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.471699 (E_RNA) where: Base-Base interactions energy: -806.812 where: short stacking energy: -390.737 Base-Backbone interact. energy: -1.312 local terms energy: -538.347474 where: bonds (distance) C4'-P energy: -152.481 bonds (distance) P-C4' energy: -137.154 flat angles C4'-P-C4' energy: -152.916 flat angles P-C4'-P energy: -74.531 tors. eta vs tors. theta energy: -21.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -958.052457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.052457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.052457 (E_RNA) where: Base-Base interactions energy: -482.034 where: short stacking energy: -255.452 Base-Backbone interact. energy: 0.605 local terms energy: -476.624164 where: bonds (distance) C4'-P energy: -124.897 bonds (distance) P-C4' energy: -146.284 flat angles C4'-P-C4' energy: -139.430 flat angles P-C4'-P energy: -87.761 tors. eta vs tors. theta energy: 21.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3228.730147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.730147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.730147 (E_RNA) where: Base-Base interactions energy: -2230.530 where: short stacking energy: -962.200 Base-Backbone interact. energy: -5.796 local terms energy: -992.404104 where: bonds (distance) C4'-P energy: -172.962 bonds (distance) P-C4' energy: -187.212 flat angles C4'-P-C4' energy: -222.383 flat angles P-C4'-P energy: -129.190 tors. eta vs tors. theta energy: -280.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -3086.829908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.829908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.829908 (E_RNA) where: Base-Base interactions energy: -2151.769 where: short stacking energy: -894.078 Base-Backbone interact. energy: -8.407 local terms energy: -926.654460 where: bonds (distance) C4'-P energy: -162.267 bonds (distance) P-C4' energy: -180.626 flat angles C4'-P-C4' energy: -196.038 flat angles P-C4'-P energy: -134.133 tors. eta vs tors. theta energy: -253.590 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: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2912.130364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.130364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.130364 (E_RNA) where: Base-Base interactions energy: -2030.116 where: short stacking energy: -904.461 Base-Backbone interact. energy: -0.592 local terms energy: -881.421934 where: bonds (distance) C4'-P energy: -154.335 bonds (distance) P-C4' energy: -169.386 flat angles C4'-P-C4' energy: -189.516 flat angles P-C4'-P energy: -125.422 tors. eta vs tors. theta energy: -242.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2675.494741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.494741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.494741 (E_RNA) where: Base-Base interactions energy: -1823.136 where: short stacking energy: -797.913 Base-Backbone interact. energy: -3.180 local terms energy: -849.177995 where: bonds (distance) C4'-P energy: -165.175 bonds (distance) P-C4' energy: -174.659 flat angles C4'-P-C4' energy: -188.576 flat angles P-C4'-P energy: -105.642 tors. eta vs tors. theta energy: -215.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2419.593550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.593550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.593550 (E_RNA) where: Base-Base interactions energy: -1630.471 where: short stacking energy: -711.212 Base-Backbone interact. energy: -3.615 local terms energy: -785.508254 where: bonds (distance) C4'-P energy: -173.678 bonds (distance) P-C4' energy: -162.296 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -173.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2272.715877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.715877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.715877 (E_RNA) where: Base-Base interactions energy: -1525.516 where: short stacking energy: -652.081 Base-Backbone interact. energy: -2.096 local terms energy: -745.103866 where: bonds (distance) C4'-P energy: -139.357 bonds (distance) P-C4' energy: -164.786 flat angles C4'-P-C4' energy: -182.621 flat angles P-C4'-P energy: -96.358 tors. eta vs tors. theta energy: -161.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2042.045716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.045716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.045716 (E_RNA) where: Base-Base interactions energy: -1368.289 where: short stacking energy: -622.661 Base-Backbone interact. energy: 5.191 local terms energy: -678.948178 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -154.344 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -129.515 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: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1491.080345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.080345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.080345 (E_RNA) where: Base-Base interactions energy: -902.785 where: short stacking energy: -432.431 Base-Backbone interact. energy: -2.141 local terms energy: -586.154566 where: bonds (distance) C4'-P energy: -155.212 bonds (distance) P-C4' energy: -167.488 flat angles C4'-P-C4' energy: -137.813 flat angles P-C4'-P energy: -66.809 tors. eta vs tors. theta energy: -58.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1240.777091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.777091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.777091 (E_RNA) where: Base-Base interactions energy: -701.581 where: short stacking energy: -350.749 Base-Backbone interact. energy: -0.670 local terms energy: -538.525460 where: bonds (distance) C4'-P energy: -150.794 bonds (distance) P-C4' energy: -138.908 flat angles C4'-P-C4' energy: -144.210 flat angles P-C4'-P energy: -94.654 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -900.919275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.919275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.919275 (E_RNA) where: Base-Base interactions energy: -447.322 where: short stacking energy: -274.671 Base-Backbone interact. energy: 2.518 local terms energy: -456.115848 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -150.139 flat angles C4'-P-C4' energy: -122.808 flat angles P-C4'-P energy: -83.042 tors. eta vs tors. theta energy: 19.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3197.774404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.774404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.774404 (E_RNA) where: Base-Base interactions energy: -2214.780 where: short stacking energy: -941.137 Base-Backbone interact. energy: 0.384 local terms energy: -983.378257 where: bonds (distance) C4'-P energy: -177.322 bonds (distance) P-C4' energy: -180.876 flat angles C4'-P-C4' energy: -208.791 flat angles P-C4'-P energy: -138.822 tors. eta vs tors. theta energy: -277.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -3082.914537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.914537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.914537 (E_RNA) where: Base-Base interactions energy: -2124.262 where: short stacking energy: -895.916 Base-Backbone interact. energy: -2.681 local terms energy: -955.971481 where: bonds (distance) C4'-P energy: -180.413 bonds (distance) P-C4' energy: -180.024 flat angles C4'-P-C4' energy: -208.925 flat angles P-C4'-P energy: -124.654 tors. eta vs tors. theta energy: -261.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2912.572584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.572584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.572584 (E_RNA) where: Base-Base interactions energy: -1973.592 where: short stacking energy: -842.121 Base-Backbone interact. energy: -0.603 local terms energy: -938.378030 where: bonds (distance) C4'-P energy: -186.748 bonds (distance) P-C4' energy: -177.682 flat angles C4'-P-C4' energy: -201.123 flat angles P-C4'-P energy: -130.392 tors. eta vs tors. theta energy: -242.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2692.275582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.275582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.275582 (E_RNA) where: Base-Base interactions energy: -1810.403 where: short stacking energy: -824.554 Base-Backbone interact. energy: 3.298 local terms energy: -885.170876 where: bonds (distance) C4'-P energy: -166.541 bonds (distance) P-C4' energy: -192.286 flat angles C4'-P-C4' energy: -187.178 flat angles P-C4'-P energy: -109.531 tors. eta vs tors. theta energy: -229.635 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: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2386.185625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.185625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.185625 (E_RNA) where: Base-Base interactions energy: -1606.498 where: short stacking energy: -721.187 Base-Backbone interact. energy: -2.612 local terms energy: -777.075649 where: bonds (distance) C4'-P energy: -145.672 bonds (distance) P-C4' energy: -160.444 flat angles C4'-P-C4' energy: -185.312 flat angles P-C4'-P energy: -102.446 tors. eta vs tors. theta energy: -183.202 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: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2280.754045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.754045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.754045 (E_RNA) where: Base-Base interactions energy: -1542.174 where: short stacking energy: -674.484 Base-Backbone interact. energy: -1.793 local terms energy: -736.787155 where: bonds (distance) C4'-P energy: -145.958 bonds (distance) P-C4' energy: -167.639 flat angles C4'-P-C4' energy: -160.576 flat angles P-C4'-P energy: -108.456 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: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2050.299497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.299497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.299497 (E_RNA) where: Base-Base interactions energy: -1336.388 where: short stacking energy: -604.663 Base-Backbone interact. energy: -1.167 local terms energy: -712.744161 where: bonds (distance) C4'-P energy: -151.616 bonds (distance) P-C4' energy: -154.894 flat angles C4'-P-C4' energy: -185.188 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -128.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1511.285187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.285187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.285187 (E_RNA) where: Base-Base interactions energy: -916.449 where: short stacking energy: -425.506 Base-Backbone interact. energy: 2.074 local terms energy: -596.910864 where: bonds (distance) C4'-P energy: -138.166 bonds (distance) P-C4' energy: -156.475 flat angles C4'-P-C4' energy: -146.065 flat angles P-C4'-P energy: -110.225 tors. eta vs tors. theta energy: -45.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1251.350366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.350366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.350366 (E_RNA) where: Base-Base interactions energy: -739.604 where: short stacking energy: -356.360 Base-Backbone interact. energy: -3.888 local terms energy: -507.857948 where: bonds (distance) C4'-P energy: -137.321 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -125.838 flat angles P-C4'-P energy: -87.475 tors. eta vs tors. theta energy: -16.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -880.555799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.555799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.555799 (E_RNA) where: Base-Base interactions energy: -389.257 where: short stacking energy: -252.818 Base-Backbone interact. energy: 18.549 local terms energy: -509.847373 where: bonds (distance) C4'-P energy: -138.627 bonds (distance) P-C4' energy: -154.646 flat angles C4'-P-C4' energy: -123.848 flat angles P-C4'-P energy: -94.555 tors. eta vs tors. theta energy: 1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3213.323804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.323804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.323804 (E_RNA) where: Base-Base interactions energy: -2196.143 where: short stacking energy: -962.363 Base-Backbone interact. energy: -5.891 local terms energy: -1011.289494 where: bonds (distance) C4'-P energy: -186.241 bonds (distance) P-C4' energy: -196.287 flat angles C4'-P-C4' energy: -202.254 flat angles P-C4'-P energy: -142.755 tors. eta vs tors. theta energy: -283.753 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: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -3035.108179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.108179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.108179 (E_RNA) where: Base-Base interactions energy: -2114.034 where: short stacking energy: -869.054 Base-Backbone interact. energy: 1.089 local terms energy: -922.163467 where: bonds (distance) C4'-P energy: -158.683 bonds (distance) P-C4' energy: -192.120 flat angles C4'-P-C4' energy: -202.166 flat angles P-C4'-P energy: -115.945 tors. eta vs tors. theta energy: -253.250 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: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2927.436674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.436674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.436674 (E_RNA) where: Base-Base interactions energy: -1996.019 where: short stacking energy: -864.174 Base-Backbone interact. energy: -6.083 local terms energy: -925.334757 where: bonds (distance) C4'-P energy: -180.231 bonds (distance) P-C4' energy: -185.914 flat angles C4'-P-C4' energy: -185.246 flat angles P-C4'-P energy: -112.847 tors. eta vs tors. theta energy: -261.097 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: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2652.950460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.950460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.950460 (E_RNA) where: Base-Base interactions energy: -1826.482 where: short stacking energy: -772.869 Base-Backbone interact. energy: -4.351 local terms energy: -822.117662 where: bonds (distance) C4'-P energy: -159.842 bonds (distance) P-C4' energy: -176.509 flat angles C4'-P-C4' energy: -190.033 flat angles P-C4'-P energy: -118.465 tors. eta vs tors. theta energy: -177.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2426.628603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.628603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.628603 (E_RNA) where: Base-Base interactions energy: -1626.897 where: short stacking energy: -748.001 Base-Backbone interact. energy: -2.546 local terms energy: -797.186037 where: bonds (distance) C4'-P energy: -170.034 bonds (distance) P-C4' energy: -169.195 flat angles C4'-P-C4' energy: -183.435 flat angles P-C4'-P energy: -101.930 tors. eta vs tors. theta energy: -172.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2270.624016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.624016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.624016 (E_RNA) where: Base-Base interactions energy: -1537.704 where: short stacking energy: -668.625 Base-Backbone interact. energy: -2.194 local terms energy: -730.726078 where: bonds (distance) C4'-P energy: -139.062 bonds (distance) P-C4' energy: -169.210 flat angles C4'-P-C4' energy: -166.389 flat angles P-C4'-P energy: -101.333 tors. eta vs tors. theta energy: -154.732 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: 186 Temperature: 1.200000 Total energy: -1993.369336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.369336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.369336 (E_RNA) where: Base-Base interactions energy: -1314.783 where: short stacking energy: -626.361 Base-Backbone interact. energy: -2.177 local terms energy: -676.409727 where: bonds (distance) C4'-P energy: -132.848 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -156.862 flat angles P-C4'-P energy: -83.216 tors. eta vs tors. theta energy: -144.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1495.447580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.447580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.447580 (E_RNA) where: Base-Base interactions energy: -930.484 where: short stacking energy: -443.526 Base-Backbone interact. energy: 3.061 local terms energy: -568.024589 where: bonds (distance) C4'-P energy: -130.958 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -149.548 flat angles P-C4'-P energy: -76.823 tors. eta vs tors. theta energy: -53.671 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: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1189.702641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.702641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.702641 (E_RNA) where: Base-Base interactions energy: -664.843 where: short stacking energy: -324.160 Base-Backbone interact. energy: 2.499 local terms energy: -527.358580 where: bonds (distance) C4'-P energy: -156.774 bonds (distance) P-C4' energy: -157.136 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -71.267 tors. eta vs tors. theta energy: -14.850 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: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -825.427608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.427608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.427608 (E_RNA) where: Base-Base interactions energy: -356.019 where: short stacking energy: -229.311 Base-Backbone interact. energy: -2.832 local terms energy: -466.576380 where: bonds (distance) C4'-P energy: -144.590 bonds (distance) P-C4' energy: -144.660 flat angles C4'-P-C4' energy: -129.929 flat angles P-C4'-P energy: -75.578 tors. eta vs tors. theta energy: 28.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3225.489982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.489982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.489982 (E_RNA) where: Base-Base interactions energy: -2198.768 where: short stacking energy: -950.933 Base-Backbone interact. energy: -6.934 local terms energy: -1019.787734 where: bonds (distance) C4'-P energy: -195.468 bonds (distance) P-C4' energy: -188.791 flat angles C4'-P-C4' energy: -206.353 flat angles P-C4'-P energy: -129.410 tors. eta vs tors. theta energy: -299.766 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: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -3055.575355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.575355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.575355 (E_RNA) where: Base-Base interactions energy: -2121.951 where: short stacking energy: -913.573 Base-Backbone interact. energy: -5.815 local terms energy: -927.809406 where: bonds (distance) C4'-P energy: -169.569 bonds (distance) P-C4' energy: -184.622 flat angles C4'-P-C4' energy: -201.929 flat angles P-C4'-P energy: -121.437 tors. eta vs tors. theta energy: -250.253 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: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2901.514437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.514437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.514437 (E_RNA) where: Base-Base interactions energy: -2001.368 where: short stacking energy: -869.237 Base-Backbone interact. energy: -6.590 local terms energy: -893.556351 where: bonds (distance) C4'-P energy: -166.172 bonds (distance) P-C4' energy: -165.936 flat angles C4'-P-C4' energy: -196.099 flat angles P-C4'-P energy: -125.195 tors. eta vs tors. theta energy: -240.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2660.146291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.146291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.146291 (E_RNA) where: Base-Base interactions energy: -1831.635 where: short stacking energy: -801.611 Base-Backbone interact. energy: -0.241 local terms energy: -828.269835 where: bonds (distance) C4'-P energy: -155.334 bonds (distance) P-C4' energy: -166.926 flat angles C4'-P-C4' energy: -197.656 flat angles P-C4'-P energy: -108.363 tors. eta vs tors. theta energy: -199.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2497.352098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.352098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.352098 (E_RNA) where: Base-Base interactions energy: -1704.934 where: short stacking energy: -749.654 Base-Backbone interact. energy: -2.474 local terms energy: -789.943838 where: bonds (distance) C4'-P energy: -170.374 bonds (distance) P-C4' energy: -174.013 flat angles C4'-P-C4' energy: -173.241 flat angles P-C4'-P energy: -96.671 tors. eta vs tors. theta energy: -175.645 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: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2282.412916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.412916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.412916 (E_RNA) where: Base-Base interactions energy: -1543.752 where: short stacking energy: -675.112 Base-Backbone interact. energy: 4.973 local terms energy: -743.633133 where: bonds (distance) C4'-P energy: -154.484 bonds (distance) P-C4' energy: -164.888 flat angles C4'-P-C4' energy: -176.919 flat angles P-C4'-P energy: -93.853 tors. eta vs tors. theta energy: -153.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2078.982600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.982600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.982600 (E_RNA) where: Base-Base interactions energy: -1352.188 where: short stacking energy: -643.853 Base-Backbone interact. energy: -1.806 local terms energy: -724.989278 where: bonds (distance) C4'-P energy: -146.186 bonds (distance) P-C4' energy: -163.033 flat angles C4'-P-C4' energy: -153.437 flat angles P-C4'-P energy: -114.495 tors. eta vs tors. theta energy: -147.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1396.222017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.222017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.222017 (E_RNA) where: Base-Base interactions energy: -787.338 where: short stacking energy: -371.344 Base-Backbone interact. energy: 1.341 local terms energy: -610.224632 where: bonds (distance) C4'-P energy: -155.387 bonds (distance) P-C4' energy: -181.497 flat angles C4'-P-C4' energy: -132.515 flat angles P-C4'-P energy: -104.820 tors. eta vs tors. theta energy: -36.006 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: 187 Temperature: 1.300000 Total energy: -1178.330214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.330214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.330214 (E_RNA) where: Base-Base interactions energy: -682.929 where: short stacking energy: -326.466 Base-Backbone interact. energy: -1.788 local terms energy: -493.613485 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -128.378 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -5.127 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: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -918.561800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.561800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.561800 (E_RNA) where: Base-Base interactions energy: -458.199 where: short stacking energy: -280.383 Base-Backbone interact. energy: 7.425 local terms energy: -467.787717 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -160.889 flat angles C4'-P-C4' energy: -123.981 flat angles P-C4'-P energy: -70.755 tors. eta vs tors. theta energy: 14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3274.664554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.664554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.664554 (E_RNA) where: Base-Base interactions energy: -2281.459 where: short stacking energy: -980.777 Base-Backbone interact. energy: -2.656 local terms energy: -990.549436 where: bonds (distance) C4'-P energy: -167.327 bonds (distance) P-C4' energy: -181.449 flat angles C4'-P-C4' energy: -205.199 flat angles P-C4'-P energy: -140.896 tors. eta vs tors. theta energy: -295.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -3041.955894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.955894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.955894 (E_RNA) where: Base-Base interactions energy: -2096.229 where: short stacking energy: -911.519 Base-Backbone interact. energy: -2.282 local terms energy: -943.445143 where: bonds (distance) C4'-P energy: -177.940 bonds (distance) P-C4' energy: -177.307 flat angles C4'-P-C4' energy: -208.138 flat angles P-C4'-P energy: -135.403 tors. eta vs tors. theta energy: -244.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2858.976474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.976474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.976474 (E_RNA) where: Base-Base interactions energy: -1973.050 where: short stacking energy: -875.267 Base-Backbone interact. energy: 1.047 local terms energy: -886.972619 where: bonds (distance) C4'-P energy: -156.870 bonds (distance) P-C4' energy: -160.450 flat angles C4'-P-C4' energy: -187.122 flat angles P-C4'-P energy: -141.645 tors. eta vs tors. theta energy: -240.885 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: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2637.160135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.160135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.160135 (E_RNA) where: Base-Base interactions energy: -1775.900 where: short stacking energy: -776.803 Base-Backbone interact. energy: -4.644 local terms energy: -856.616430 where: bonds (distance) C4'-P energy: -166.013 bonds (distance) P-C4' energy: -164.913 flat angles C4'-P-C4' energy: -197.672 flat angles P-C4'-P energy: -112.288 tors. eta vs tors. theta energy: -215.730 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: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2361.810628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.810628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.810628 (E_RNA) where: Base-Base interactions energy: -1572.324 where: short stacking energy: -686.758 Base-Backbone interact. energy: -2.800 local terms energy: -786.686488 where: bonds (distance) C4'-P energy: -157.454 bonds (distance) P-C4' energy: -179.423 flat angles C4'-P-C4' energy: -163.824 flat angles P-C4'-P energy: -118.035 tors. eta vs tors. theta energy: -167.950 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: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2393.909007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.909007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.909007 (E_RNA) where: Base-Base interactions energy: -1620.378 where: short stacking energy: -716.831 Base-Backbone interact. energy: 2.150 local terms energy: -775.680959 where: bonds (distance) C4'-P energy: -152.729 bonds (distance) P-C4' energy: -157.863 flat angles C4'-P-C4' energy: -180.849 flat angles P-C4'-P energy: -112.041 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: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2032.187530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.187530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.187530 (E_RNA) where: Base-Base interactions energy: -1342.593 where: short stacking energy: -626.178 Base-Backbone interact. energy: 5.719 local terms energy: -695.313145 where: bonds (distance) C4'-P energy: -156.296 bonds (distance) P-C4' energy: -129.461 flat angles C4'-P-C4' energy: -177.853 flat angles P-C4'-P energy: -91.601 tors. eta vs tors. theta energy: -140.103 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: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1452.274811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.274811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.274811 (E_RNA) where: Base-Base interactions energy: -877.507 where: short stacking energy: -424.083 Base-Backbone interact. energy: -3.498 local terms energy: -571.269860 where: bonds (distance) C4'-P energy: -118.119 bonds (distance) P-C4' energy: -153.182 flat angles C4'-P-C4' energy: -148.558 flat angles P-C4'-P energy: -98.790 tors. eta vs tors. theta energy: -52.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1218.474668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.474668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.474668 (E_RNA) where: Base-Base interactions energy: -682.495 where: short stacking energy: -347.110 Base-Backbone interact. energy: 3.037 local terms energy: -539.016782 where: bonds (distance) C4'-P energy: -146.059 bonds (distance) P-C4' energy: -146.242 flat angles C4'-P-C4' energy: -141.657 flat angles P-C4'-P energy: -68.024 tors. eta vs tors. theta energy: -37.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -944.401052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.401052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.401052 (E_RNA) where: Base-Base interactions energy: -477.115 where: short stacking energy: -282.840 Base-Backbone interact. energy: 1.535 local terms energy: -468.820590 where: bonds (distance) C4'-P energy: -141.140 bonds (distance) P-C4' energy: -139.810 flat angles C4'-P-C4' energy: -108.555 flat angles P-C4'-P energy: -72.434 tors. eta vs tors. theta energy: -6.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3264.646969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.646969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.646969 (E_RNA) where: Base-Base interactions energy: -2268.109 where: short stacking energy: -967.866 Base-Backbone interact. energy: -4.809 local terms energy: -991.728864 where: bonds (distance) C4'-P energy: -171.588 bonds (distance) P-C4' energy: -183.385 flat angles C4'-P-C4' energy: -202.050 flat angles P-C4'-P energy: -139.593 tors. eta vs tors. theta energy: -295.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -3027.420521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.420521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.420521 (E_RNA) where: Base-Base interactions energy: -2071.217 where: short stacking energy: -891.367 Base-Backbone interact. energy: -3.517 local terms energy: -952.687145 where: bonds (distance) C4'-P energy: -179.073 bonds (distance) P-C4' energy: -177.715 flat angles C4'-P-C4' energy: -217.205 flat angles P-C4'-P energy: -130.562 tors. eta vs tors. theta energy: -248.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2919.432969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.432969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.432969 (E_RNA) where: Base-Base interactions energy: -2007.621 where: short stacking energy: -910.975 Base-Backbone interact. energy: -3.725 local terms energy: -908.086749 where: bonds (distance) C4'-P energy: -166.731 bonds (distance) P-C4' energy: -171.808 flat angles C4'-P-C4' energy: -204.469 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -248.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2661.934724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.934724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.934724 (E_RNA) where: Base-Base interactions energy: -1802.671 where: short stacking energy: -755.358 Base-Backbone interact. energy: -5.324 local terms energy: -853.938962 where: bonds (distance) C4'-P energy: -163.841 bonds (distance) P-C4' energy: -176.262 flat angles C4'-P-C4' energy: -183.979 flat angles P-C4'-P energy: -129.761 tors. eta vs tors. theta energy: -200.097 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: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2567.677127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.677127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.677127 (E_RNA) where: Base-Base interactions energy: -1739.990 where: short stacking energy: -783.019 Base-Backbone interact. energy: -3.673 local terms energy: -824.013417 where: bonds (distance) C4'-P energy: -166.819 bonds (distance) P-C4' energy: -169.855 flat angles C4'-P-C4' energy: -180.929 flat angles P-C4'-P energy: -115.295 tors. eta vs tors. theta energy: -191.115 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: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2250.697373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.697373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.697373 (E_RNA) where: Base-Base interactions energy: -1524.824 where: short stacking energy: -684.927 Base-Backbone interact. energy: -0.821 local terms energy: -725.052685 where: bonds (distance) C4'-P energy: -144.078 bonds (distance) P-C4' energy: -147.310 flat angles C4'-P-C4' energy: -179.998 flat angles P-C4'-P energy: -92.553 tors. eta vs tors. theta energy: -161.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2009.261664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.261664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.261664 (E_RNA) where: Base-Base interactions energy: -1302.950 where: short stacking energy: -573.818 Base-Backbone interact. energy: -1.819 local terms energy: -704.492865 where: bonds (distance) C4'-P energy: -143.532 bonds (distance) P-C4' energy: -161.761 flat angles C4'-P-C4' energy: -175.105 flat angles P-C4'-P energy: -103.056 tors. eta vs tors. theta energy: -121.039 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: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1420.007407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.007407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.007407 (E_RNA) where: Base-Base interactions energy: -839.993 where: short stacking energy: -412.388 Base-Backbone interact. energy: -4.220 local terms energy: -575.794410 where: bonds (distance) C4'-P energy: -128.813 bonds (distance) P-C4' energy: -151.051 flat angles C4'-P-C4' energy: -151.257 flat angles P-C4'-P energy: -99.286 tors. eta vs tors. theta energy: -45.387 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: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1126.761019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.761019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.761019 (E_RNA) where: Base-Base interactions energy: -623.757 where: short stacking energy: -339.868 Base-Backbone interact. energy: -2.276 local terms energy: -500.727347 where: bonds (distance) C4'-P energy: -145.445 bonds (distance) P-C4' energy: -137.416 flat angles C4'-P-C4' energy: -141.751 flat angles P-C4'-P energy: -70.672 tors. eta vs tors. theta energy: -5.444 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: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -972.034190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.034190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.034190 (E_RNA) where: Base-Base interactions energy: -492.559 where: short stacking energy: -299.796 Base-Backbone interact. energy: 3.824 local terms energy: -483.298923 where: bonds (distance) C4'-P energy: -147.820 bonds (distance) P-C4' energy: -150.579 flat angles C4'-P-C4' energy: -111.984 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: -7.610 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: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3208.999654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.999654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.999654 (E_RNA) where: Base-Base interactions energy: -2188.199 where: short stacking energy: -975.903 Base-Backbone interact. energy: -4.263 local terms energy: -1016.537674 where: bonds (distance) C4'-P energy: -178.157 bonds (distance) P-C4' energy: -184.053 flat angles C4'-P-C4' energy: -211.473 flat angles P-C4'-P energy: -154.432 tors. eta vs tors. theta energy: -288.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -3024.943836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.943836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.943836 (E_RNA) where: Base-Base interactions energy: -2081.126 where: short stacking energy: -898.404 Base-Backbone interact. energy: -4.089 local terms energy: -939.728926 where: bonds (distance) C4'-P energy: -158.991 bonds (distance) P-C4' energy: -173.044 flat angles C4'-P-C4' energy: -215.305 flat angles P-C4'-P energy: -142.052 tors. eta vs tors. theta energy: -250.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2868.601157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.601157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.601157 (E_RNA) where: Base-Base interactions energy: -1956.466 where: short stacking energy: -895.384 Base-Backbone interact. energy: -6.709 local terms energy: -905.426076 where: bonds (distance) C4'-P energy: -169.451 bonds (distance) P-C4' energy: -174.393 flat angles C4'-P-C4' energy: -191.241 flat angles P-C4'-P energy: -129.364 tors. eta vs tors. theta energy: -240.976 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: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2665.508509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.508509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.508509 (E_RNA) where: Base-Base interactions energy: -1798.666 where: short stacking energy: -763.936 Base-Backbone interact. energy: -3.551 local terms energy: -863.290975 where: bonds (distance) C4'-P energy: -160.219 bonds (distance) P-C4' energy: -176.737 flat angles C4'-P-C4' energy: -200.902 flat angles P-C4'-P energy: -123.673 tors. eta vs tors. theta energy: -201.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2570.253122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.253122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.253122 (E_RNA) where: Base-Base interactions energy: -1762.885 where: short stacking energy: -727.215 Base-Backbone interact. energy: -3.359 local terms energy: -804.009186 where: bonds (distance) C4'-P energy: -151.794 bonds (distance) P-C4' energy: -172.998 flat angles C4'-P-C4' energy: -174.700 flat angles P-C4'-P energy: -114.191 tors. eta vs tors. theta energy: -190.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2272.030019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.030019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.030019 (E_RNA) where: Base-Base interactions energy: -1496.820 where: short stacking energy: -686.754 Base-Backbone interact. energy: -0.589 local terms energy: -774.620860 where: bonds (distance) C4'-P energy: -149.635 bonds (distance) P-C4' energy: -161.106 flat angles C4'-P-C4' energy: -173.026 flat angles P-C4'-P energy: -123.492 tors. eta vs tors. theta energy: -167.361 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: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2024.847641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.847641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.847641 (E_RNA) where: Base-Base interactions energy: -1326.576 where: short stacking energy: -603.104 Base-Backbone interact. energy: -3.161 local terms energy: -695.111537 where: bonds (distance) C4'-P energy: -161.706 bonds (distance) P-C4' energy: -160.201 flat angles C4'-P-C4' energy: -156.516 flat angles P-C4'-P energy: -102.849 tors. eta vs tors. theta energy: -113.840 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: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1456.334091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.334091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.334091 (E_RNA) where: Base-Base interactions energy: -898.528 where: short stacking energy: -453.041 Base-Backbone interact. energy: -2.827 local terms energy: -554.978914 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -136.456 flat angles C4'-P-C4' energy: -135.426 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -64.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1108.204275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.204275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.204275 (E_RNA) where: Base-Base interactions energy: -608.557 where: short stacking energy: -342.618 Base-Backbone interact. energy: 11.554 local terms energy: -511.202216 where: bonds (distance) C4'-P energy: -152.154 bonds (distance) P-C4' energy: -125.908 flat angles C4'-P-C4' energy: -118.772 flat angles P-C4'-P energy: -86.217 tors. eta vs tors. theta energy: -28.150 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: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -905.712754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.712754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.712754 (E_RNA) where: Base-Base interactions energy: -422.413 where: short stacking energy: -261.582 Base-Backbone interact. energy: -2.164 local terms energy: -481.135236 where: bonds (distance) C4'-P energy: -138.663 bonds (distance) P-C4' energy: -142.953 flat angles C4'-P-C4' energy: -113.905 flat angles P-C4'-P energy: -73.221 tors. eta vs tors. theta energy: -12.394 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: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3246.824193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.824193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.824193 (E_RNA) where: Base-Base interactions energy: -2258.115 where: short stacking energy: -976.116 Base-Backbone interact. energy: -6.226 local terms energy: -982.482477 where: bonds (distance) C4'-P energy: -171.219 bonds (distance) P-C4' energy: -181.383 flat angles C4'-P-C4' energy: -215.764 flat angles P-C4'-P energy: -132.600 tors. eta vs tors. theta energy: -281.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -3043.240403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.240403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.240403 (E_RNA) where: Base-Base interactions energy: -2108.574 where: short stacking energy: -912.195 Base-Backbone interact. energy: -8.380 local terms energy: -926.286598 where: bonds (distance) C4'-P energy: -166.965 bonds (distance) P-C4' energy: -159.745 flat angles C4'-P-C4' energy: -198.285 flat angles P-C4'-P energy: -150.879 tors. eta vs tors. theta energy: -250.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2841.871361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.871361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.871361 (E_RNA) where: Base-Base interactions energy: -1938.380 where: short stacking energy: -893.482 Base-Backbone interact. energy: -4.151 local terms energy: -899.340519 where: bonds (distance) C4'-P energy: -166.284 bonds (distance) P-C4' energy: -168.977 flat angles C4'-P-C4' energy: -191.374 flat angles P-C4'-P energy: -126.580 tors. eta vs tors. theta energy: -246.126 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: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2651.253741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.253741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.253741 (E_RNA) where: Base-Base interactions energy: -1799.739 where: short stacking energy: -785.425 Base-Backbone interact. energy: -3.630 local terms energy: -847.884647 where: bonds (distance) C4'-P energy: -158.265 bonds (distance) P-C4' energy: -180.601 flat angles C4'-P-C4' energy: -179.475 flat angles P-C4'-P energy: -125.228 tors. eta vs tors. theta energy: -204.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2606.084300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.084300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.084300 (E_RNA) where: Base-Base interactions energy: -1786.365 where: short stacking energy: -788.476 Base-Backbone interact. energy: -4.726 local terms energy: -814.993227 where: bonds (distance) C4'-P energy: -147.704 bonds (distance) P-C4' energy: -165.513 flat angles C4'-P-C4' energy: -187.128 flat angles P-C4'-P energy: -111.187 tors. eta vs tors. theta energy: -203.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2264.905787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.905787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.905787 (E_RNA) where: Base-Base interactions energy: -1511.334 where: short stacking energy: -674.766 Base-Backbone interact. energy: 0.750 local terms energy: -754.322192 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -162.152 flat angles C4'-P-C4' energy: -167.815 flat angles P-C4'-P energy: -96.754 tors. eta vs tors. theta energy: -175.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1997.100370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.100370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.100370 (E_RNA) where: Base-Base interactions energy: -1284.304 where: short stacking energy: -584.922 Base-Backbone interact. energy: -1.463 local terms energy: -711.333806 where: bonds (distance) C4'-P energy: -147.243 bonds (distance) P-C4' energy: -157.309 flat angles C4'-P-C4' energy: -178.155 flat angles P-C4'-P energy: -95.415 tors. eta vs tors. theta energy: -133.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1446.858638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.858638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.858638 (E_RNA) where: Base-Base interactions energy: -840.816 where: short stacking energy: -386.811 Base-Backbone interact. energy: -2.198 local terms energy: -603.844089 where: bonds (distance) C4'-P energy: -156.454 bonds (distance) P-C4' energy: -164.100 flat angles C4'-P-C4' energy: -139.509 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -48.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1049.216920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.216920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.216920 (E_RNA) where: Base-Base interactions energy: -576.248 where: short stacking energy: -311.803 Base-Backbone interact. energy: -3.745 local terms energy: -469.224010 where: bonds (distance) C4'-P energy: -149.776 bonds (distance) P-C4' energy: -141.480 flat angles C4'-P-C4' energy: -126.727 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: 8.333 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: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -906.704261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.704261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.704261 (E_RNA) where: Base-Base interactions energy: -480.840 where: short stacking energy: -268.665 Base-Backbone interact. energy: 9.163 local terms energy: -435.027823 where: bonds (distance) C4'-P energy: -147.700 bonds (distance) P-C4' energy: -127.704 flat angles C4'-P-C4' energy: -99.215 flat angles P-C4'-P energy: -74.055 tors. eta vs tors. theta energy: 13.646 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: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3194.156419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.156419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.156419 (E_RNA) where: Base-Base interactions energy: -2175.114 where: short stacking energy: -934.957 Base-Backbone interact. energy: -3.292 local terms energy: -1015.750847 where: bonds (distance) C4'-P energy: -182.486 bonds (distance) P-C4' energy: -196.455 flat angles C4'-P-C4' energy: -208.517 flat angles P-C4'-P energy: -148.361 tors. eta vs tors. theta energy: -279.931 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: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -3039.826593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.826593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.826593 (E_RNA) where: Base-Base interactions energy: -2068.370 where: short stacking energy: -914.974 Base-Backbone interact. energy: -3.185 local terms energy: -968.271523 where: bonds (distance) C4'-P energy: -177.540 bonds (distance) P-C4' energy: -180.041 flat angles C4'-P-C4' energy: -208.911 flat angles P-C4'-P energy: -136.980 tors. eta vs tors. theta energy: -264.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2861.345043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.345043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.345043 (E_RNA) where: Base-Base interactions energy: -1941.064 where: short stacking energy: -853.924 Base-Backbone interact. energy: -4.196 local terms energy: -916.084919 where: bonds (distance) C4'-P energy: -150.667 bonds (distance) P-C4' energy: -183.610 flat angles C4'-P-C4' energy: -196.639 flat angles P-C4'-P energy: -144.507 tors. eta vs tors. theta energy: -240.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2730.568577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.568577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.568577 (E_RNA) where: Base-Base interactions energy: -1827.562 where: short stacking energy: -818.196 Base-Backbone interact. energy: -0.760 local terms energy: -902.246674 where: bonds (distance) C4'-P energy: -160.301 bonds (distance) P-C4' energy: -190.205 flat angles C4'-P-C4' energy: -204.890 flat angles P-C4'-P energy: -117.663 tors. eta vs tors. theta energy: -229.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2537.813365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.813365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.813365 (E_RNA) where: Base-Base interactions energy: -1727.844 where: short stacking energy: -723.751 Base-Backbone interact. energy: -4.086 local terms energy: -805.883701 where: bonds (distance) C4'-P energy: -145.516 bonds (distance) P-C4' energy: -188.152 flat angles C4'-P-C4' energy: -169.411 flat angles P-C4'-P energy: -110.838 tors. eta vs tors. theta energy: -191.967 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: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2319.899740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.899740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.899740 (E_RNA) where: Base-Base interactions energy: -1590.458 where: short stacking energy: -704.026 Base-Backbone interact. energy: 12.274 local terms energy: -741.716552 where: bonds (distance) C4'-P energy: -149.041 bonds (distance) P-C4' energy: -154.138 flat angles C4'-P-C4' energy: -179.143 flat angles P-C4'-P energy: -99.990 tors. eta vs tors. theta energy: -159.405 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: 192 Temperature: 1.200000 Total energy: -2017.861316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.861316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.861316 (E_RNA) where: Base-Base interactions energy: -1305.079 where: short stacking energy: -593.728 Base-Backbone interact. energy: -0.089 local terms energy: -712.693094 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -148.530 flat angles C4'-P-C4' energy: -159.363 flat angles P-C4'-P energy: -112.459 tors. eta vs tors. theta energy: -146.613 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: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1398.232868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.232868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.232868 (E_RNA) where: Base-Base interactions energy: -783.034 where: short stacking energy: -404.804 Base-Backbone interact. energy: -5.230 local terms energy: -609.968849 where: bonds (distance) C4'-P energy: -159.148 bonds (distance) P-C4' energy: -150.047 flat angles C4'-P-C4' energy: -150.157 flat angles P-C4'-P energy: -102.571 tors. eta vs tors. theta energy: -48.046 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: 192 Temperature: 1.300000 Total energy: -1052.317870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.317870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.317870 (E_RNA) where: Base-Base interactions energy: -543.148 where: short stacking energy: -279.754 Base-Backbone interact. energy: 4.318 local terms energy: -513.488066 where: bonds (distance) C4'-P energy: -153.010 bonds (distance) P-C4' energy: -165.055 flat angles C4'-P-C4' energy: -123.905 flat angles P-C4'-P energy: -82.842 tors. eta vs tors. theta energy: 11.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -881.424157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.424157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.424157 (E_RNA) where: Base-Base interactions energy: -403.846 where: short stacking energy: -232.680 Base-Backbone interact. energy: -5.595 local terms energy: -471.983596 where: bonds (distance) C4'-P energy: -153.356 bonds (distance) P-C4' energy: -168.767 flat angles C4'-P-C4' energy: -126.744 flat angles P-C4'-P energy: -62.547 tors. eta vs tors. theta energy: 39.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3198.231394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.231394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.231394 (E_RNA) where: Base-Base interactions energy: -2217.617 where: short stacking energy: -957.599 Base-Backbone interact. energy: -6.018 local terms energy: -974.596848 where: bonds (distance) C4'-P energy: -162.306 bonds (distance) P-C4' energy: -184.744 flat angles C4'-P-C4' energy: -209.620 flat angles P-C4'-P energy: -130.417 tors. eta vs tors. theta energy: -287.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -3053.532421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.532421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.532421 (E_RNA) where: Base-Base interactions energy: -2125.574 where: short stacking energy: -902.010 Base-Backbone interact. energy: -2.793 local terms energy: -925.165069 where: bonds (distance) C4'-P energy: -155.264 bonds (distance) P-C4' energy: -192.901 flat angles C4'-P-C4' energy: -207.159 flat angles P-C4'-P energy: -119.671 tors. eta vs tors. theta energy: -250.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2879.900154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.900154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.900154 (E_RNA) where: Base-Base interactions energy: -1950.687 where: short stacking energy: -867.839 Base-Backbone interact. energy: -6.021 local terms energy: -923.191843 where: bonds (distance) C4'-P energy: -177.850 bonds (distance) P-C4' energy: -178.320 flat angles C4'-P-C4' energy: -207.379 flat angles P-C4'-P energy: -123.609 tors. eta vs tors. theta energy: -236.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2674.148342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.148342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.148342 (E_RNA) where: Base-Base interactions energy: -1787.632 where: short stacking energy: -809.164 Base-Backbone interact. energy: -5.637 local terms energy: -880.879632 where: bonds (distance) C4'-P energy: -172.107 bonds (distance) P-C4' energy: -175.766 flat angles C4'-P-C4' energy: -205.822 flat angles P-C4'-P energy: -121.104 tors. eta vs tors. theta energy: -206.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2604.983715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.983715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.983715 (E_RNA) where: Base-Base interactions energy: -1758.969 where: short stacking energy: -726.131 Base-Backbone interact. energy: -4.059 local terms energy: -841.956014 where: bonds (distance) C4'-P energy: -159.867 bonds (distance) P-C4' energy: -182.235 flat angles C4'-P-C4' energy: -176.522 flat angles P-C4'-P energy: -127.669 tors. eta vs tors. theta energy: -195.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2225.861802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.861802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.861802 (E_RNA) where: Base-Base interactions energy: -1504.178 where: short stacking energy: -681.402 Base-Backbone interact. energy: -1.108 local terms energy: -720.576136 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -155.596 flat angles C4'-P-C4' energy: -172.397 flat angles P-C4'-P energy: -91.537 tors. eta vs tors. theta energy: -169.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1942.556435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.556435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.556435 (E_RNA) where: Base-Base interactions energy: -1245.850 where: short stacking energy: -576.947 Base-Backbone interact. energy: -0.424 local terms energy: -696.282821 where: bonds (distance) C4'-P energy: -144.311 bonds (distance) P-C4' energy: -162.533 flat angles C4'-P-C4' energy: -173.447 flat angles P-C4'-P energy: -88.871 tors. eta vs tors. theta energy: -127.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1382.476582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.476582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.476582 (E_RNA) where: Base-Base interactions energy: -807.578 where: short stacking energy: -424.085 Base-Backbone interact. energy: 1.154 local terms energy: -576.052062 where: bonds (distance) C4'-P energy: -135.244 bonds (distance) P-C4' energy: -164.759 flat angles C4'-P-C4' energy: -147.799 flat angles P-C4'-P energy: -90.772 tors. eta vs tors. theta energy: -37.478 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: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1028.505933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.505933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.505933 (E_RNA) where: Base-Base interactions energy: -544.258 where: short stacking energy: -314.457 Base-Backbone interact. energy: 1.070 local terms energy: -485.318514 where: bonds (distance) C4'-P energy: -140.683 bonds (distance) P-C4' energy: -156.345 flat angles C4'-P-C4' energy: -124.004 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: 12.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -918.065949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.065949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.065949 (E_RNA) where: Base-Base interactions energy: -471.775 where: short stacking energy: -303.256 Base-Backbone interact. energy: 0.724 local terms energy: -447.014409 where: bonds (distance) C4'-P energy: -123.655 bonds (distance) P-C4' energy: -147.041 flat angles C4'-P-C4' energy: -125.276 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: 5.584 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: 194 Temperature: 0.900000 Total energy: -3222.200189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.200189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.200189 (E_RNA) where: Base-Base interactions energy: -2246.553 where: short stacking energy: -965.145 Base-Backbone interact. energy: -5.941 local terms energy: -969.705937 where: bonds (distance) C4'-P energy: -169.428 bonds (distance) P-C4' energy: -172.396 flat angles C4'-P-C4' energy: -210.311 flat angles P-C4'-P energy: -132.259 tors. eta vs tors. theta energy: -285.311 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: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -3061.405962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.405962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.405962 (E_RNA) where: Base-Base interactions energy: -2123.798 where: short stacking energy: -916.134 Base-Backbone interact. energy: -2.815 local terms energy: -934.792039 where: bonds (distance) C4'-P energy: -168.588 bonds (distance) P-C4' energy: -172.043 flat angles C4'-P-C4' energy: -206.290 flat angles P-C4'-P energy: -144.183 tors. eta vs tors. theta energy: -243.689 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: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2857.192122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.192122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.192122 (E_RNA) where: Base-Base interactions energy: -1925.323 where: short stacking energy: -856.180 Base-Backbone interact. energy: -3.542 local terms energy: -928.327705 where: bonds (distance) C4'-P energy: -179.364 bonds (distance) P-C4' energy: -182.477 flat angles C4'-P-C4' energy: -190.922 flat angles P-C4'-P energy: -133.972 tors. eta vs tors. theta energy: -241.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2605.637931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.637931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.637931 (E_RNA) where: Base-Base interactions energy: -1754.046 where: short stacking energy: -773.015 Base-Backbone interact. energy: -2.876 local terms energy: -848.716072 where: bonds (distance) C4'-P energy: -178.993 bonds (distance) P-C4' energy: -166.916 flat angles C4'-P-C4' energy: -182.142 flat angles P-C4'-P energy: -122.770 tors. eta vs tors. theta energy: -197.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2586.124581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.124581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.124581 (E_RNA) where: Base-Base interactions energy: -1758.737 where: short stacking energy: -753.075 Base-Backbone interact. energy: 0.088 local terms energy: -827.475334 where: bonds (distance) C4'-P energy: -173.406 bonds (distance) P-C4' energy: -178.712 flat angles C4'-P-C4' energy: -172.603 flat angles P-C4'-P energy: -110.190 tors. eta vs tors. theta energy: -192.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2220.193071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.193071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.193071 (E_RNA) where: Base-Base interactions energy: -1486.215 where: short stacking energy: -710.804 Base-Backbone interact. energy: 3.651 local terms energy: -737.628553 where: bonds (distance) C4'-P energy: -141.182 bonds (distance) P-C4' energy: -163.750 flat angles C4'-P-C4' energy: -166.972 flat angles P-C4'-P energy: -99.975 tors. eta vs tors. theta energy: -165.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1994.239602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.239602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.239602 (E_RNA) where: Base-Base interactions energy: -1262.436 where: short stacking energy: -588.427 Base-Backbone interact. energy: 3.858 local terms energy: -735.662296 where: bonds (distance) C4'-P energy: -142.195 bonds (distance) P-C4' energy: -189.849 flat angles C4'-P-C4' energy: -159.644 flat angles P-C4'-P energy: -95.571 tors. eta vs tors. theta energy: -148.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1416.213678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.213678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.213678 (E_RNA) where: Base-Base interactions energy: -845.238 where: short stacking energy: -425.627 Base-Backbone interact. energy: -0.654 local terms energy: -570.320976 where: bonds (distance) C4'-P energy: -163.234 bonds (distance) P-C4' energy: -142.980 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -55.425 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: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1050.342394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.342394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.342394 (E_RNA) where: Base-Base interactions energy: -519.719 where: short stacking energy: -322.708 Base-Backbone interact. energy: -1.273 local terms energy: -529.349705 where: bonds (distance) C4'-P energy: -146.995 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -130.688 flat angles P-C4'-P energy: -67.163 tors. eta vs tors. theta energy: -24.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -847.740869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.740869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.740869 (E_RNA) where: Base-Base interactions energy: -371.362 where: short stacking energy: -263.743 Base-Backbone interact. energy: -1.154 local terms energy: -475.225036 where: bonds (distance) C4'-P energy: -132.802 bonds (distance) P-C4' energy: -154.506 flat angles C4'-P-C4' energy: -126.214 flat angles P-C4'-P energy: -58.232 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: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3233.444136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.444136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.444136 (E_RNA) where: Base-Base interactions energy: -2243.351 where: short stacking energy: -962.537 Base-Backbone interact. energy: -9.189 local terms energy: -980.903534 where: bonds (distance) C4'-P energy: -184.182 bonds (distance) P-C4' energy: -174.511 flat angles C4'-P-C4' energy: -204.666 flat angles P-C4'-P energy: -138.993 tors. eta vs tors. theta energy: -278.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -3032.910732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.910732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.910732 (E_RNA) where: Base-Base interactions energy: -2085.940 where: short stacking energy: -892.248 Base-Backbone interact. energy: -3.144 local terms energy: -943.826710 where: bonds (distance) C4'-P energy: -184.487 bonds (distance) P-C4' energy: -180.692 flat angles C4'-P-C4' energy: -198.806 flat angles P-C4'-P energy: -137.434 tors. eta vs tors. theta energy: -242.407 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: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2844.280714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.280714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.280714 (E_RNA) where: Base-Base interactions energy: -1940.269 where: short stacking energy: -868.035 Base-Backbone interact. energy: 1.252 local terms energy: -905.262939 where: bonds (distance) C4'-P energy: -160.660 bonds (distance) P-C4' energy: -171.476 flat angles C4'-P-C4' energy: -188.110 flat angles P-C4'-P energy: -137.240 tors. eta vs tors. theta energy: -247.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2653.806621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.806621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.806621 (E_RNA) where: Base-Base interactions energy: -1791.594 where: short stacking energy: -791.962 Base-Backbone interact. energy: -2.686 local terms energy: -859.527110 where: bonds (distance) C4'-P energy: -161.948 bonds (distance) P-C4' energy: -173.964 flat angles C4'-P-C4' energy: -183.927 flat angles P-C4'-P energy: -119.711 tors. eta vs tors. theta energy: -219.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2607.739436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.739436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.739436 (E_RNA) where: Base-Base interactions energy: -1775.582 where: short stacking energy: -767.227 Base-Backbone interact. energy: -5.452 local terms energy: -826.704936 where: bonds (distance) C4'-P energy: -180.924 bonds (distance) P-C4' energy: -150.347 flat angles C4'-P-C4' energy: -193.761 flat angles P-C4'-P energy: -100.011 tors. eta vs tors. theta energy: -201.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2024.260903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.260903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.260903 (E_RNA) where: Base-Base interactions energy: -1318.991 where: short stacking energy: -626.128 Base-Backbone interact. energy: -1.666 local terms energy: -703.604513 where: bonds (distance) C4'-P energy: -134.472 bonds (distance) P-C4' energy: -152.892 flat angles C4'-P-C4' energy: -166.618 flat angles P-C4'-P energy: -117.928 tors. eta vs tors. theta energy: -131.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1958.011641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.011641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.011641 (E_RNA) where: Base-Base interactions energy: -1226.866 where: short stacking energy: -567.027 Base-Backbone interact. energy: 5.056 local terms energy: -736.201369 where: bonds (distance) C4'-P energy: -146.809 bonds (distance) P-C4' energy: -176.303 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -98.854 tors. eta vs tors. theta energy: -132.807 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: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1422.687855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.687855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.687855 (E_RNA) where: Base-Base interactions energy: -840.531 where: short stacking energy: -408.877 Base-Backbone interact. energy: 0.084 local terms energy: -582.240536 where: bonds (distance) C4'-P energy: -141.338 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -148.495 flat angles P-C4'-P energy: -91.474 tors. eta vs tors. theta energy: -61.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1038.536223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.536223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.536223 (E_RNA) where: Base-Base interactions energy: -546.543 where: short stacking energy: -283.174 Base-Backbone interact. energy: 3.814 local terms energy: -495.807828 where: bonds (distance) C4'-P energy: -155.704 bonds (distance) P-C4' energy: -142.779 flat angles C4'-P-C4' energy: -125.659 flat angles P-C4'-P energy: -75.537 tors. eta vs tors. theta energy: 3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -856.246336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.246336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.246336 (E_RNA) where: Base-Base interactions energy: -386.728 where: short stacking energy: -244.469 Base-Backbone interact. energy: 1.767 local terms energy: -471.285370 where: bonds (distance) C4'-P energy: -116.536 bonds (distance) P-C4' energy: -168.441 flat angles C4'-P-C4' energy: -128.324 flat angles P-C4'-P energy: -84.456 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: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3214.654903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.654903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.654903 (E_RNA) where: Base-Base interactions energy: -2224.773 where: short stacking energy: -953.768 Base-Backbone interact. energy: -9.408 local terms energy: -980.474053 where: bonds (distance) C4'-P energy: -176.310 bonds (distance) P-C4' energy: -186.991 flat angles C4'-P-C4' energy: -206.817 flat angles P-C4'-P energy: -133.482 tors. eta vs tors. theta energy: -276.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -3024.053743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.053743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.053743 (E_RNA) where: Base-Base interactions energy: -2100.591 where: short stacking energy: -891.566 Base-Backbone interact. energy: -1.556 local terms energy: -921.905990 where: bonds (distance) C4'-P energy: -170.270 bonds (distance) P-C4' energy: -177.213 flat angles C4'-P-C4' energy: -202.425 flat angles P-C4'-P energy: -132.463 tors. eta vs tors. theta energy: -239.536 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: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2837.366211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.366211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.366211 (E_RNA) where: Base-Base interactions energy: -1903.590 where: short stacking energy: -863.836 Base-Backbone interact. energy: -4.831 local terms energy: -928.944815 where: bonds (distance) C4'-P energy: -171.959 bonds (distance) P-C4' energy: -170.993 flat angles C4'-P-C4' energy: -202.817 flat angles P-C4'-P energy: -138.028 tors. eta vs tors. theta energy: -245.147 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: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2657.350239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.350239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.350239 (E_RNA) where: Base-Base interactions energy: -1774.880 where: short stacking energy: -807.507 Base-Backbone interact. energy: -5.136 local terms energy: -877.334871 where: bonds (distance) C4'-P energy: -166.512 bonds (distance) P-C4' energy: -190.989 flat angles C4'-P-C4' energy: -187.432 flat angles P-C4'-P energy: -121.555 tors. eta vs tors. theta energy: -210.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2562.332027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.332027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.332027 (E_RNA) where: Base-Base interactions energy: -1745.278 where: short stacking energy: -752.829 Base-Backbone interact. energy: -2.194 local terms energy: -814.860252 where: bonds (distance) C4'-P energy: -162.544 bonds (distance) P-C4' energy: -164.072 flat angles C4'-P-C4' energy: -169.025 flat angles P-C4'-P energy: -119.298 tors. eta vs tors. theta energy: -199.921 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: 6, replica: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2064.609196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.609196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.609196 (E_RNA) where: Base-Base interactions energy: -1321.211 where: short stacking energy: -586.471 Base-Backbone interact. energy: -3.402 local terms energy: -739.996262 where: bonds (distance) C4'-P energy: -149.644 bonds (distance) P-C4' energy: -168.715 flat angles C4'-P-C4' energy: -186.131 flat angles P-C4'-P energy: -86.913 tors. eta vs tors. theta energy: -148.592 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: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1988.678752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.678752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.678752 (E_RNA) where: Base-Base interactions energy: -1275.103 where: short stacking energy: -592.310 Base-Backbone interact. energy: 0.501 local terms energy: -714.076722 where: bonds (distance) C4'-P energy: -142.765 bonds (distance) P-C4' energy: -151.189 flat angles C4'-P-C4' energy: -167.065 flat angles P-C4'-P energy: -103.999 tors. eta vs tors. theta energy: -149.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1518.234069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.234069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.234069 (E_RNA) where: Base-Base interactions energy: -915.872 where: short stacking energy: -451.215 Base-Backbone interact. energy: -0.488 local terms energy: -601.874382 where: bonds (distance) C4'-P energy: -154.948 bonds (distance) P-C4' energy: -148.393 flat angles C4'-P-C4' energy: -152.322 flat angles P-C4'-P energy: -81.609 tors. eta vs tors. theta energy: -64.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1128.641610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.641610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.641610 (E_RNA) where: Base-Base interactions energy: -633.975 where: short stacking energy: -375.296 Base-Backbone interact. energy: 1.231 local terms energy: -495.898038 where: bonds (distance) C4'-P energy: -127.901 bonds (distance) P-C4' energy: -146.749 flat angles C4'-P-C4' energy: -149.603 flat angles P-C4'-P energy: -64.452 tors. eta vs tors. theta energy: -7.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -816.127703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.127703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.127703 (E_RNA) where: Base-Base interactions energy: -374.279 where: short stacking energy: -247.857 Base-Backbone interact. energy: 2.059 local terms energy: -443.907409 where: bonds (distance) C4'-P energy: -130.932 bonds (distance) P-C4' energy: -147.514 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -78.208 tors. eta vs tors. theta energy: 23.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3219.519596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.519596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.519596 (E_RNA) where: Base-Base interactions energy: -2240.996 where: short stacking energy: -941.908 Base-Backbone interact. energy: -5.996 local terms energy: -972.528177 where: bonds (distance) C4'-P energy: -171.366 bonds (distance) P-C4' energy: -195.078 flat angles C4'-P-C4' energy: -202.419 flat angles P-C4'-P energy: -128.454 tors. eta vs tors. theta energy: -275.212 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: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -3030.343896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.343896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.343896 (E_RNA) where: Base-Base interactions energy: -2106.742 where: short stacking energy: -892.248 Base-Backbone interact. energy: -4.976 local terms energy: -918.625888 where: bonds (distance) C4'-P energy: -171.241 bonds (distance) P-C4' energy: -178.724 flat angles C4'-P-C4' energy: -198.552 flat angles P-C4'-P energy: -128.320 tors. eta vs tors. theta energy: -241.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2838.552570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.552570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.552570 (E_RNA) where: Base-Base interactions energy: -1922.537 where: short stacking energy: -870.743 Base-Backbone interact. energy: -0.170 local terms energy: -915.845101 where: bonds (distance) C4'-P energy: -179.247 bonds (distance) P-C4' energy: -164.740 flat angles C4'-P-C4' energy: -190.675 flat angles P-C4'-P energy: -136.120 tors. eta vs tors. theta energy: -245.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2630.337251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.337251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.337251 (E_RNA) where: Base-Base interactions energy: -1794.009 where: short stacking energy: -792.066 Base-Backbone interact. energy: 2.838 local terms energy: -839.166000 where: bonds (distance) C4'-P energy: -153.017 bonds (distance) P-C4' energy: -151.063 flat angles C4'-P-C4' energy: -189.719 flat angles P-C4'-P energy: -128.886 tors. eta vs tors. theta energy: -216.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2571.976231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.976231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.976231 (E_RNA) where: Base-Base interactions energy: -1758.549 where: short stacking energy: -747.439 Base-Backbone interact. energy: -3.349 local terms energy: -810.077949 where: bonds (distance) C4'-P energy: -153.324 bonds (distance) P-C4' energy: -168.796 flat angles C4'-P-C4' energy: -184.745 flat angles P-C4'-P energy: -107.320 tors. eta vs tors. theta energy: -195.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2026.354188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.354188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.354188 (E_RNA) where: Base-Base interactions energy: -1316.893 where: short stacking energy: -613.458 Base-Backbone interact. energy: -3.111 local terms energy: -706.350311 where: bonds (distance) C4'-P energy: -151.505 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -163.733 flat angles P-C4'-P energy: -90.552 tors. eta vs tors. theta energy: -139.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1983.371426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.371426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.371426 (E_RNA) where: Base-Base interactions energy: -1278.917 where: short stacking energy: -603.169 Base-Backbone interact. energy: -2.685 local terms energy: -701.769148 where: bonds (distance) C4'-P energy: -128.068 bonds (distance) P-C4' energy: -162.075 flat angles C4'-P-C4' energy: -157.040 flat angles P-C4'-P energy: -116.520 tors. eta vs tors. theta energy: -138.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1435.403373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.403373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.403373 (E_RNA) where: Base-Base interactions energy: -843.919 where: short stacking energy: -427.265 Base-Backbone interact. energy: 3.697 local terms energy: -595.181812 where: bonds (distance) C4'-P energy: -129.059 bonds (distance) P-C4' energy: -151.810 flat angles C4'-P-C4' energy: -162.688 flat angles P-C4'-P energy: -91.769 tors. eta vs tors. theta energy: -59.855 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: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1259.095014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.095014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.095014 (E_RNA) where: Base-Base interactions energy: -686.619 where: short stacking energy: -338.461 Base-Backbone interact. energy: 10.043 local terms energy: -582.519217 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -170.653 flat angles C4'-P-C4' energy: -146.789 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -40.405 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: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -833.109078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.109078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.109078 (E_RNA) where: Base-Base interactions energy: -381.562 where: short stacking energy: -237.133 Base-Backbone interact. energy: -1.639 local terms energy: -449.908328 where: bonds (distance) C4'-P energy: -130.350 bonds (distance) P-C4' energy: -151.986 flat angles C4'-P-C4' energy: -114.519 flat angles P-C4'-P energy: -73.399 tors. eta vs tors. theta energy: 20.346 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: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3182.092918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.092918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.092918 (E_RNA) where: Base-Base interactions energy: -2195.161 where: short stacking energy: -927.620 Base-Backbone interact. energy: -7.879 local terms energy: -979.053555 where: bonds (distance) C4'-P energy: -170.437 bonds (distance) P-C4' energy: -177.839 flat angles C4'-P-C4' energy: -207.860 flat angles P-C4'-P energy: -139.181 tors. eta vs tors. theta energy: -283.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -3028.453769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.453769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.453769 (E_RNA) where: Base-Base interactions energy: -2081.118 where: short stacking energy: -913.674 Base-Backbone interact. energy: -8.024 local terms energy: -939.311953 where: bonds (distance) C4'-P energy: -165.286 bonds (distance) P-C4' energy: -183.979 flat angles C4'-P-C4' energy: -202.676 flat angles P-C4'-P energy: -140.673 tors. eta vs tors. theta energy: -246.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2841.196832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.196832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.196832 (E_RNA) where: Base-Base interactions energy: -1921.662 where: short stacking energy: -844.409 Base-Backbone interact. energy: 0.030 local terms energy: -919.564719 where: bonds (distance) C4'-P energy: -171.430 bonds (distance) P-C4' energy: -182.285 flat angles C4'-P-C4' energy: -198.069 flat angles P-C4'-P energy: -124.943 tors. eta vs tors. theta energy: -242.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2674.824258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.824258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.824258 (E_RNA) where: Base-Base interactions energy: -1832.143 where: short stacking energy: -807.707 Base-Backbone interact. energy: -4.363 local terms energy: -838.317326 where: bonds (distance) C4'-P energy: -159.063 bonds (distance) P-C4' energy: -172.396 flat angles C4'-P-C4' energy: -185.239 flat angles P-C4'-P energy: -116.013 tors. eta vs tors. theta energy: -205.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2518.703525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.703525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.703525 (E_RNA) where: Base-Base interactions energy: -1702.321 where: short stacking energy: -750.794 Base-Backbone interact. energy: -0.896 local terms energy: -815.486740 where: bonds (distance) C4'-P energy: -168.772 bonds (distance) P-C4' energy: -169.708 flat angles C4'-P-C4' energy: -177.127 flat angles P-C4'-P energy: -110.668 tors. eta vs tors. theta energy: -189.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2064.775551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.775551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.775551 (E_RNA) where: Base-Base interactions energy: -1327.812 where: short stacking energy: -617.561 Base-Backbone interact. energy: 0.995 local terms energy: -737.959343 where: bonds (distance) C4'-P energy: -173.620 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -103.232 tors. eta vs tors. theta energy: -140.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1873.136776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.136776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.136776 (E_RNA) where: Base-Base interactions energy: -1184.728 where: short stacking energy: -552.748 Base-Backbone interact. energy: 0.011 local terms energy: -688.419781 where: bonds (distance) C4'-P energy: -158.764 bonds (distance) P-C4' energy: -165.137 flat angles C4'-P-C4' energy: -152.680 flat angles P-C4'-P energy: -100.913 tors. eta vs tors. theta energy: -110.927 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: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1437.521467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.521467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.521467 (E_RNA) where: Base-Base interactions energy: -859.944 where: short stacking energy: -412.088 Base-Backbone interact. energy: 0.828 local terms energy: -578.405378 where: bonds (distance) C4'-P energy: -140.526 bonds (distance) P-C4' energy: -174.608 flat angles C4'-P-C4' energy: -153.649 flat angles P-C4'-P energy: -63.561 tors. eta vs tors. theta energy: -46.061 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: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1202.038781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.038781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.038781 (E_RNA) where: Base-Base interactions energy: -694.266 where: short stacking energy: -365.786 Base-Backbone interact. energy: 4.942 local terms energy: -512.714300 where: bonds (distance) C4'-P energy: -150.937 bonds (distance) P-C4' energy: -165.212 flat angles C4'-P-C4' energy: -116.337 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: -1.560 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: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -844.701249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.701249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.701249 (E_RNA) where: Base-Base interactions energy: -356.245 where: short stacking energy: -257.041 Base-Backbone interact. energy: -1.984 local terms energy: -486.472287 where: bonds (distance) C4'-P energy: -119.938 bonds (distance) P-C4' energy: -165.189 flat angles C4'-P-C4' energy: -144.629 flat angles P-C4'-P energy: -75.774 tors. eta vs tors. theta energy: 19.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3209.640915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.640915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.640915 (E_RNA) where: Base-Base interactions energy: -2210.262 where: short stacking energy: -962.169 Base-Backbone interact. energy: -4.980 local terms energy: -994.398844 where: bonds (distance) C4'-P energy: -178.609 bonds (distance) P-C4' energy: -179.582 flat angles C4'-P-C4' energy: -216.084 flat angles P-C4'-P energy: -148.180 tors. eta vs tors. theta energy: -271.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -3059.324715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.324715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.324715 (E_RNA) where: Base-Base interactions energy: -2117.517 where: short stacking energy: -899.807 Base-Backbone interact. energy: -4.489 local terms energy: -937.318714 where: bonds (distance) C4'-P energy: -172.923 bonds (distance) P-C4' energy: -164.107 flat angles C4'-P-C4' energy: -206.866 flat angles P-C4'-P energy: -151.589 tors. eta vs tors. theta energy: -241.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2862.475435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.475435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.475435 (E_RNA) where: Base-Base interactions energy: -1992.083 where: short stacking energy: -864.147 Base-Backbone interact. energy: 0.087 local terms energy: -870.478779 where: bonds (distance) C4'-P energy: -167.311 bonds (distance) P-C4' energy: -164.750 flat angles C4'-P-C4' energy: -184.279 flat angles P-C4'-P energy: -117.468 tors. eta vs tors. theta energy: -236.670 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: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2705.914218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.914218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.914218 (E_RNA) where: Base-Base interactions energy: -1844.907 where: short stacking energy: -824.195 Base-Backbone interact. energy: -1.898 local terms energy: -859.108389 where: bonds (distance) C4'-P energy: -142.774 bonds (distance) P-C4' energy: -151.532 flat angles C4'-P-C4' energy: -192.513 flat angles P-C4'-P energy: -134.047 tors. eta vs tors. theta energy: -238.243 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: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2505.861939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.861939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.861939 (E_RNA) where: Base-Base interactions energy: -1699.455 where: short stacking energy: -748.788 Base-Backbone interact. energy: -1.513 local terms energy: -804.894060 where: bonds (distance) C4'-P energy: -157.247 bonds (distance) P-C4' energy: -174.258 flat angles C4'-P-C4' energy: -182.590 flat angles P-C4'-P energy: -108.473 tors. eta vs tors. theta energy: -182.327 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: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2207.781000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.781000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.781000 (E_RNA) where: Base-Base interactions energy: -1465.386 where: short stacking energy: -630.062 Base-Backbone interact. energy: -3.313 local terms energy: -739.082166 where: bonds (distance) C4'-P energy: -142.476 bonds (distance) P-C4' energy: -166.451 flat angles C4'-P-C4' energy: -165.967 flat angles P-C4'-P energy: -107.793 tors. eta vs tors. theta energy: -156.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1896.714052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.714052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.714052 (E_RNA) where: Base-Base interactions energy: -1207.689 where: short stacking energy: -558.028 Base-Backbone interact. energy: 1.618 local terms energy: -690.642618 where: bonds (distance) C4'-P energy: -177.850 bonds (distance) P-C4' energy: -144.697 flat angles C4'-P-C4' energy: -148.039 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -121.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1470.563019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.563019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.563019 (E_RNA) where: Base-Base interactions energy: -854.364 where: short stacking energy: -402.252 Base-Backbone interact. energy: 0.385 local terms energy: -616.583915 where: bonds (distance) C4'-P energy: -158.612 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -155.394 flat angles P-C4'-P energy: -79.803 tors. eta vs tors. theta energy: -65.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1276.081932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.081932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.081932 (E_RNA) where: Base-Base interactions energy: -703.284 where: short stacking energy: -405.516 Base-Backbone interact. energy: 0.922 local terms energy: -573.719284 where: bonds (distance) C4'-P energy: -143.820 bonds (distance) P-C4' energy: -158.037 flat angles C4'-P-C4' energy: -133.110 flat angles P-C4'-P energy: -86.142 tors. eta vs tors. theta energy: -52.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -861.664851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.664851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.664851 (E_RNA) where: Base-Base interactions energy: -370.941 where: short stacking energy: -239.037 Base-Backbone interact. energy: 0.822 local terms energy: -491.545862 where: bonds (distance) C4'-P energy: -134.505 bonds (distance) P-C4' energy: -165.875 flat angles C4'-P-C4' energy: -134.711 flat angles P-C4'-P energy: -80.834 tors. eta vs tors. theta energy: 24.379 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: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3191.228956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.228956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.228956 (E_RNA) where: Base-Base interactions energy: -2213.362 where: short stacking energy: -929.529 Base-Backbone interact. energy: -7.913 local terms energy: -969.954111 where: bonds (distance) C4'-P energy: -174.965 bonds (distance) P-C4' energy: -194.183 flat angles C4'-P-C4' energy: -188.245 flat angles P-C4'-P energy: -149.887 tors. eta vs tors. theta energy: -262.675 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: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -3018.760681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.760681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.760681 (E_RNA) where: Base-Base interactions energy: -2092.668 where: short stacking energy: -848.626 Base-Backbone interact. energy: -5.514 local terms energy: -920.579303 where: bonds (distance) C4'-P energy: -171.813 bonds (distance) P-C4' energy: -172.373 flat angles C4'-P-C4' energy: -202.580 flat angles P-C4'-P energy: -122.928 tors. eta vs tors. theta energy: -250.885 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: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2776.906493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.906493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.906493 (E_RNA) where: Base-Base interactions energy: -1859.515 where: short stacking energy: -827.380 Base-Backbone interact. energy: -2.665 local terms energy: -914.726465 where: bonds (distance) C4'-P energy: -186.642 bonds (distance) P-C4' energy: -169.446 flat angles C4'-P-C4' energy: -200.199 flat angles P-C4'-P energy: -140.829 tors. eta vs tors. theta energy: -217.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2713.214263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.214263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.214263 (E_RNA) where: Base-Base interactions energy: -1831.989 where: short stacking energy: -821.007 Base-Backbone interact. energy: -2.833 local terms energy: -878.392301 where: bonds (distance) C4'-P energy: -164.023 bonds (distance) P-C4' energy: -162.386 flat angles C4'-P-C4' energy: -193.522 flat angles P-C4'-P energy: -130.436 tors. eta vs tors. theta energy: -228.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2496.640088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.640088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.640088 (E_RNA) where: Base-Base interactions energy: -1666.485 where: short stacking energy: -732.303 Base-Backbone interact. energy: -1.146 local terms energy: -829.008745 where: bonds (distance) C4'-P energy: -178.638 bonds (distance) P-C4' energy: -158.520 flat angles C4'-P-C4' energy: -181.823 flat angles P-C4'-P energy: -119.489 tors. eta vs tors. theta energy: -190.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2318.187790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.187790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.187790 (E_RNA) where: Base-Base interactions energy: -1596.016 where: short stacking energy: -688.293 Base-Backbone interact. energy: -0.128 local terms energy: -722.044102 where: bonds (distance) C4'-P energy: -148.006 bonds (distance) P-C4' energy: -150.843 flat angles C4'-P-C4' energy: -167.515 flat angles P-C4'-P energy: -94.254 tors. eta vs tors. theta energy: -161.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1894.008956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.008956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.008956 (E_RNA) where: Base-Base interactions energy: -1191.843 where: short stacking energy: -547.804 Base-Backbone interact. energy: -3.185 local terms energy: -698.980814 where: bonds (distance) C4'-P energy: -160.962 bonds (distance) P-C4' energy: -167.498 flat angles C4'-P-C4' energy: -163.980 flat angles P-C4'-P energy: -95.763 tors. eta vs tors. theta energy: -110.778 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: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1458.580144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.580144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.580144 (E_RNA) where: Base-Base interactions energy: -894.400 where: short stacking energy: -400.130 Base-Backbone interact. energy: 6.963 local terms energy: -571.143924 where: bonds (distance) C4'-P energy: -149.959 bonds (distance) P-C4' energy: -151.378 flat angles C4'-P-C4' energy: -135.880 flat angles P-C4'-P energy: -86.682 tors. eta vs tors. theta energy: -47.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1251.032595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.032595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.032595 (E_RNA) where: Base-Base interactions energy: -729.116 where: short stacking energy: -390.121 Base-Backbone interact. energy: -2.224 local terms energy: -519.692365 where: bonds (distance) C4'-P energy: -124.138 bonds (distance) P-C4' energy: -145.323 flat angles C4'-P-C4' energy: -152.292 flat angles P-C4'-P energy: -89.997 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -742.314842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.314842 (E_RNA) where: Base-Base interactions energy: -304.495 where: short stacking energy: -202.322 Base-Backbone interact. energy: 1.560 local terms energy: -439.380004 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -136.092 flat angles P-C4'-P energy: -57.087 tors. eta vs tors. theta energy: 25.984 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: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3194.317649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.317649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.317649 (E_RNA) where: Base-Base interactions energy: -2195.179 where: short stacking energy: -937.339 Base-Backbone interact. energy: -4.528 local terms energy: -994.611035 where: bonds (distance) C4'-P energy: -188.427 bonds (distance) P-C4' energy: -188.021 flat angles C4'-P-C4' energy: -208.910 flat angles P-C4'-P energy: -133.516 tors. eta vs tors. theta energy: -275.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -3049.938892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.938892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.938892 (E_RNA) where: Base-Base interactions energy: -2106.314 where: short stacking energy: -898.845 Base-Backbone interact. energy: -0.713 local terms energy: -942.911432 where: bonds (distance) C4'-P energy: -163.794 bonds (distance) P-C4' energy: -186.617 flat angles C4'-P-C4' energy: -195.555 flat angles P-C4'-P energy: -138.135 tors. eta vs tors. theta energy: -258.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2846.033072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.033072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.033072 (E_RNA) where: Base-Base interactions energy: -1945.413 where: short stacking energy: -844.495 Base-Backbone interact. energy: -7.420 local terms energy: -893.200067 where: bonds (distance) C4'-P energy: -175.906 bonds (distance) P-C4' energy: -172.744 flat angles C4'-P-C4' energy: -195.722 flat angles P-C4'-P energy: -119.038 tors. eta vs tors. theta energy: -229.790 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: 201 Temperature: 1.050000 Total energy: -2760.342206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.342206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.342206 (E_RNA) where: Base-Base interactions energy: -1876.554 where: short stacking energy: -821.127 Base-Backbone interact. energy: -4.318 local terms energy: -879.469249 where: bonds (distance) C4'-P energy: -159.473 bonds (distance) P-C4' energy: -178.044 flat angles C4'-P-C4' energy: -184.194 flat angles P-C4'-P energy: -130.555 tors. eta vs tors. theta energy: -227.203 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: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2474.420540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.420540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.420540 (E_RNA) where: Base-Base interactions energy: -1680.380 where: short stacking energy: -728.963 Base-Backbone interact. energy: -1.948 local terms energy: -792.092755 where: bonds (distance) C4'-P energy: -156.777 bonds (distance) P-C4' energy: -166.854 flat angles C4'-P-C4' energy: -178.295 flat angles P-C4'-P energy: -112.348 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: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2233.245900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.245900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.245900 (E_RNA) where: Base-Base interactions energy: -1466.293 where: short stacking energy: -662.906 Base-Backbone interact. energy: 0.800 local terms energy: -767.752534 where: bonds (distance) C4'-P energy: -156.212 bonds (distance) P-C4' energy: -172.686 flat angles C4'-P-C4' energy: -175.994 flat angles P-C4'-P energy: -98.576 tors. eta vs tors. theta energy: -164.285 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: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1837.878126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.878126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.878126 (E_RNA) where: Base-Base interactions energy: -1165.252 where: short stacking energy: -546.989 Base-Backbone interact. energy: -0.589 local terms energy: -672.036576 where: bonds (distance) C4'-P energy: -154.310 bonds (distance) P-C4' energy: -158.970 flat angles C4'-P-C4' energy: -156.177 flat angles P-C4'-P energy: -78.786 tors. eta vs tors. theta energy: -123.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1439.912736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.912736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.912736 (E_RNA) where: Base-Base interactions energy: -863.441 where: short stacking energy: -414.537 Base-Backbone interact. energy: -1.826 local terms energy: -574.645774 where: bonds (distance) C4'-P energy: -158.550 bonds (distance) P-C4' energy: -145.926 flat angles C4'-P-C4' energy: -144.651 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -47.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1327.389733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.389733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.389733 (E_RNA) where: Base-Base interactions energy: -778.532 where: short stacking energy: -378.341 Base-Backbone interact. energy: 3.399 local terms energy: -552.256896 where: bonds (distance) C4'-P energy: -145.413 bonds (distance) P-C4' energy: -139.446 flat angles C4'-P-C4' energy: -145.901 flat angles P-C4'-P energy: -83.223 tors. eta vs tors. theta energy: -38.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -754.847692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.847692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.847692 (E_RNA) where: Base-Base interactions energy: -360.353 where: short stacking energy: -238.878 Base-Backbone interact. energy: 12.835 local terms energy: -407.329838 where: bonds (distance) C4'-P energy: -124.408 bonds (distance) P-C4' energy: -142.084 flat angles C4'-P-C4' energy: -99.182 flat angles P-C4'-P energy: -82.943 tors. eta vs tors. theta energy: 41.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3223.260507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.260507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.260507 (E_RNA) where: Base-Base interactions energy: -2228.399 where: short stacking energy: -956.702 Base-Backbone interact. energy: -8.399 local terms energy: -986.462200 where: bonds (distance) C4'-P energy: -168.653 bonds (distance) P-C4' energy: -192.794 flat angles C4'-P-C4' energy: -202.051 flat angles P-C4'-P energy: -130.291 tors. eta vs tors. theta energy: -292.674 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: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -3041.839707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.839707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.839707 (E_RNA) where: Base-Base interactions energy: -2111.779 where: short stacking energy: -911.660 Base-Backbone interact. energy: -5.851 local terms energy: -924.209566 where: bonds (distance) C4'-P energy: -169.640 bonds (distance) P-C4' energy: -161.193 flat angles C4'-P-C4' energy: -206.414 flat angles P-C4'-P energy: -126.646 tors. eta vs tors. theta energy: -260.316 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: 202 Temperature: 1.000000 Total energy: -2827.500249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.500249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.500249 (E_RNA) where: Base-Base interactions energy: -1946.619 where: short stacking energy: -853.484 Base-Backbone interact. energy: -2.589 local terms energy: -878.291873 where: bonds (distance) C4'-P energy: -155.826 bonds (distance) P-C4' energy: -175.621 flat angles C4'-P-C4' energy: -193.594 flat angles P-C4'-P energy: -123.694 tors. eta vs tors. theta energy: -229.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2724.075707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.075707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.075707 (E_RNA) where: Base-Base interactions energy: -1846.330 where: short stacking energy: -783.700 Base-Backbone interact. energy: -3.199 local terms energy: -874.546137 where: bonds (distance) C4'-P energy: -165.354 bonds (distance) P-C4' energy: -170.017 flat angles C4'-P-C4' energy: -211.861 flat angles P-C4'-P energy: -124.964 tors. eta vs tors. theta energy: -202.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2460.215162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.215162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.215162 (E_RNA) where: Base-Base interactions energy: -1661.463 where: short stacking energy: -719.126 Base-Backbone interact. energy: -0.788 local terms energy: -797.964405 where: bonds (distance) C4'-P energy: -156.710 bonds (distance) P-C4' energy: -173.447 flat angles C4'-P-C4' energy: -179.256 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -181.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2260.086597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.086597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.086597 (E_RNA) where: Base-Base interactions energy: -1527.326 where: short stacking energy: -649.833 Base-Backbone interact. energy: 0.249 local terms energy: -733.009237 where: bonds (distance) C4'-P energy: -153.379 bonds (distance) P-C4' energy: -159.698 flat angles C4'-P-C4' energy: -163.714 flat angles P-C4'-P energy: -96.703 tors. eta vs tors. theta energy: -159.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1852.728422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.728422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.728422 (E_RNA) where: Base-Base interactions energy: -1215.371 where: short stacking energy: -557.543 Base-Backbone interact. energy: -1.084 local terms energy: -636.273105 where: bonds (distance) C4'-P energy: -137.468 bonds (distance) P-C4' energy: -142.106 flat angles C4'-P-C4' energy: -143.873 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -108.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1510.775811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.775811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.775811 (E_RNA) where: Base-Base interactions energy: -921.424 where: short stacking energy: -431.812 Base-Backbone interact. energy: 2.349 local terms energy: -591.700784 where: bonds (distance) C4'-P energy: -165.087 bonds (distance) P-C4' energy: -147.651 flat angles C4'-P-C4' energy: -171.003 flat angles P-C4'-P energy: -62.194 tors. eta vs tors. theta energy: -45.765 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: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1380.673750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.673750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.673750 (E_RNA) where: Base-Base interactions energy: -808.637 where: short stacking energy: -380.752 Base-Backbone interact. energy: 2.396 local terms energy: -574.432554 where: bonds (distance) C4'-P energy: -152.342 bonds (distance) P-C4' energy: -165.045 flat angles C4'-P-C4' energy: -140.715 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -22.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -740.158387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.158387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.158387 (E_RNA) where: Base-Base interactions energy: -277.482 where: short stacking energy: -204.361 Base-Backbone interact. energy: 7.711 local terms energy: -470.387321 where: bonds (distance) C4'-P energy: -151.625 bonds (distance) P-C4' energy: -154.069 flat angles C4'-P-C4' energy: -130.030 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: 51.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3243.518994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.518994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.518994 (E_RNA) where: Base-Base interactions energy: -2250.740 where: short stacking energy: -978.440 Base-Backbone interact. energy: -4.702 local terms energy: -988.076717 where: bonds (distance) C4'-P energy: -169.916 bonds (distance) P-C4' energy: -180.417 flat angles C4'-P-C4' energy: -218.784 flat angles P-C4'-P energy: -143.003 tors. eta vs tors. theta energy: -275.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -3098.421459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.421459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.421459 (E_RNA) where: Base-Base interactions energy: -2150.089 where: short stacking energy: -911.793 Base-Backbone interact. energy: -2.559 local terms energy: -945.773177 where: bonds (distance) C4'-P energy: -146.177 bonds (distance) P-C4' energy: -178.324 flat angles C4'-P-C4' energy: -216.743 flat angles P-C4'-P energy: -139.701 tors. eta vs tors. theta energy: -264.829 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: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2961.942750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.942750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.942750 (E_RNA) where: Base-Base interactions energy: -2006.375 where: short stacking energy: -885.615 Base-Backbone interact. energy: -6.407 local terms energy: -949.160157 where: bonds (distance) C4'-P energy: -176.079 bonds (distance) P-C4' energy: -173.595 flat angles C4'-P-C4' energy: -206.019 flat angles P-C4'-P energy: -137.091 tors. eta vs tors. theta energy: -256.376 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: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2673.406752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.406752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.406752 (E_RNA) where: Base-Base interactions energy: -1803.912 where: short stacking energy: -799.660 Base-Backbone interact. energy: -4.287 local terms energy: -865.207115 where: bonds (distance) C4'-P energy: -176.615 bonds (distance) P-C4' energy: -162.218 flat angles C4'-P-C4' energy: -192.119 flat angles P-C4'-P energy: -117.670 tors. eta vs tors. theta energy: -216.584 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: 203 Temperature: 1.100000 Total energy: -2489.022540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.022540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.022540 (E_RNA) where: Base-Base interactions energy: -1697.350 where: short stacking energy: -737.593 Base-Backbone interact. energy: -4.634 local terms energy: -787.039223 where: bonds (distance) C4'-P energy: -152.301 bonds (distance) P-C4' energy: -158.314 flat angles C4'-P-C4' energy: -177.703 flat angles P-C4'-P energy: -129.807 tors. eta vs tors. theta energy: -168.914 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: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2210.793207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.793207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.793207 (E_RNA) where: Base-Base interactions energy: -1462.207 where: short stacking energy: -648.828 Base-Backbone interact. energy: -4.874 local terms energy: -743.711757 where: bonds (distance) C4'-P energy: -147.430 bonds (distance) P-C4' energy: -159.507 flat angles C4'-P-C4' energy: -162.723 flat angles P-C4'-P energy: -114.222 tors. eta vs tors. theta energy: -159.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1936.019738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.019738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.019738 (E_RNA) where: Base-Base interactions energy: -1226.278 where: short stacking energy: -578.793 Base-Backbone interact. energy: -3.383 local terms energy: -706.357972 where: bonds (distance) C4'-P energy: -156.561 bonds (distance) P-C4' energy: -161.775 flat angles C4'-P-C4' energy: -163.412 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -133.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1520.615818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.615818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.615818 (E_RNA) where: Base-Base interactions energy: -939.270 where: short stacking energy: -419.000 Base-Backbone interact. energy: -1.985 local terms energy: -579.360912 where: bonds (distance) C4'-P energy: -146.752 bonds (distance) P-C4' energy: -141.979 flat angles C4'-P-C4' energy: -134.010 flat angles P-C4'-P energy: -93.787 tors. eta vs tors. theta energy: -62.834 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: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1405.321455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.321455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.321455 (E_RNA) where: Base-Base interactions energy: -845.137 where: short stacking energy: -414.528 Base-Backbone interact. energy: 7.195 local terms energy: -567.379999 where: bonds (distance) C4'-P energy: -129.104 bonds (distance) P-C4' energy: -161.179 flat angles C4'-P-C4' energy: -147.591 flat angles P-C4'-P energy: -79.602 tors. eta vs tors. theta energy: -49.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -751.048975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.048975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.048975 (E_RNA) where: Base-Base interactions energy: -300.954 where: short stacking energy: -243.232 Base-Backbone interact. energy: 5.274 local terms energy: -455.369809 where: bonds (distance) C4'-P energy: -121.595 bonds (distance) P-C4' energy: -151.988 flat angles C4'-P-C4' energy: -126.340 flat angles P-C4'-P energy: -74.912 tors. eta vs tors. theta energy: 19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3207.180257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.180257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.180257 (E_RNA) where: Base-Base interactions energy: -2209.918 where: short stacking energy: -968.800 Base-Backbone interact. energy: -4.627 local terms energy: -992.635962 where: bonds (distance) C4'-P energy: -175.486 bonds (distance) P-C4' energy: -193.907 flat angles C4'-P-C4' energy: -200.307 flat angles P-C4'-P energy: -129.502 tors. eta vs tors. theta energy: -293.434 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: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -3084.210855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.210855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.210855 (E_RNA) where: Base-Base interactions energy: -2116.103 where: short stacking energy: -891.427 Base-Backbone interact. energy: -2.768 local terms energy: -965.339911 where: bonds (distance) C4'-P energy: -191.327 bonds (distance) P-C4' energy: -174.749 flat angles C4'-P-C4' energy: -220.207 flat angles P-C4'-P energy: -131.841 tors. eta vs tors. theta energy: -247.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2903.436444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.436444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.436444 (E_RNA) where: Base-Base interactions energy: -1999.120 where: short stacking energy: -874.590 Base-Backbone interact. energy: -0.471 local terms energy: -903.845427 where: bonds (distance) C4'-P energy: -163.854 bonds (distance) P-C4' energy: -149.302 flat angles C4'-P-C4' energy: -201.514 flat angles P-C4'-P energy: -135.126 tors. eta vs tors. theta energy: -254.050 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: 204 Temperature: 1.050000 Total energy: -2724.388056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.388056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.388056 (E_RNA) where: Base-Base interactions energy: -1860.482 where: short stacking energy: -788.947 Base-Backbone interact. energy: -7.112 local terms energy: -856.793744 where: bonds (distance) C4'-P energy: -157.203 bonds (distance) P-C4' energy: -178.338 flat angles C4'-P-C4' energy: -183.244 flat angles P-C4'-P energy: -121.401 tors. eta vs tors. theta energy: -216.609 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: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2472.030324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.030324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.030324 (E_RNA) where: Base-Base interactions energy: -1658.759 where: short stacking energy: -744.217 Base-Backbone interact. energy: -2.468 local terms energy: -810.802782 where: bonds (distance) C4'-P energy: -156.094 bonds (distance) P-C4' energy: -156.254 flat angles C4'-P-C4' energy: -197.522 flat angles P-C4'-P energy: -119.591 tors. eta vs tors. theta energy: -181.342 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: 204 Temperature: 1.150000 Total energy: -2286.901892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.901892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.901892 (E_RNA) where: Base-Base interactions energy: -1513.437 where: short stacking energy: -683.652 Base-Backbone interact. energy: -1.863 local terms energy: -771.602611 where: bonds (distance) C4'-P energy: -148.969 bonds (distance) P-C4' energy: -160.815 flat angles C4'-P-C4' energy: -179.740 flat angles P-C4'-P energy: -104.363 tors. eta vs tors. theta energy: -177.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1971.427720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.427720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.427720 (E_RNA) where: Base-Base interactions energy: -1267.922 where: short stacking energy: -575.539 Base-Backbone interact. energy: -3.905 local terms energy: -699.601133 where: bonds (distance) C4'-P energy: -160.256 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -158.438 flat angles P-C4'-P energy: -107.431 tors. eta vs tors. theta energy: -123.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1434.434987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.434987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.434987 (E_RNA) where: Base-Base interactions energy: -857.686 where: short stacking energy: -439.134 Base-Backbone interact. energy: -0.622 local terms energy: -576.126692 where: bonds (distance) C4'-P energy: -141.281 bonds (distance) P-C4' energy: -150.083 flat angles C4'-P-C4' energy: -137.078 flat angles P-C4'-P energy: -89.632 tors. eta vs tors. theta energy: -58.053 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: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1371.289649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.289649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.289649 (E_RNA) where: Base-Base interactions energy: -807.338 where: short stacking energy: -408.341 Base-Backbone interact. energy: 2.994 local terms energy: -566.945098 where: bonds (distance) C4'-P energy: -147.047 bonds (distance) P-C4' energy: -149.676 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -83.167 tors. eta vs tors. theta energy: -34.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -726.908394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.908394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.908394 (E_RNA) where: Base-Base interactions energy: -280.281 where: short stacking energy: -219.896 Base-Backbone interact. energy: 3.266 local terms energy: -449.893887 where: bonds (distance) C4'-P energy: -129.309 bonds (distance) P-C4' energy: -149.855 flat angles C4'-P-C4' energy: -129.725 flat angles P-C4'-P energy: -69.042 tors. eta vs tors. theta energy: 28.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3246.291406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.291406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.291406 (E_RNA) where: Base-Base interactions energy: -2212.522 where: short stacking energy: -979.804 Base-Backbone interact. energy: -5.253 local terms energy: -1028.516370 where: bonds (distance) C4'-P energy: -196.779 bonds (distance) P-C4' energy: -181.248 flat angles C4'-P-C4' energy: -211.721 flat angles P-C4'-P energy: -146.118 tors. eta vs tors. theta energy: -292.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -3085.182107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.182107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.182107 (E_RNA) where: Base-Base interactions energy: -2164.642 where: short stacking energy: -924.935 Base-Backbone interact. energy: -1.416 local terms energy: -919.123203 where: bonds (distance) C4'-P energy: -163.670 bonds (distance) P-C4' energy: -181.983 flat angles C4'-P-C4' energy: -196.629 flat angles P-C4'-P energy: -135.083 tors. eta vs tors. theta energy: -241.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2881.090400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.090400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.090400 (E_RNA) where: Base-Base interactions energy: -1990.249 where: short stacking energy: -855.742 Base-Backbone interact. energy: -1.307 local terms energy: -889.534742 where: bonds (distance) C4'-P energy: -157.188 bonds (distance) P-C4' energy: -163.354 flat angles C4'-P-C4' energy: -191.256 flat angles P-C4'-P energy: -133.657 tors. eta vs tors. theta energy: -244.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2706.217804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.217804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.217804 (E_RNA) where: Base-Base interactions energy: -1833.412 where: short stacking energy: -828.075 Base-Backbone interact. energy: -6.787 local terms energy: -866.018663 where: bonds (distance) C4'-P energy: -160.465 bonds (distance) P-C4' energy: -173.842 flat angles C4'-P-C4' energy: -184.081 flat angles P-C4'-P energy: -125.882 tors. eta vs tors. theta energy: -221.749 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: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2486.383408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.383408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.383408 (E_RNA) where: Base-Base interactions energy: -1679.918 where: short stacking energy: -767.654 Base-Backbone interact. energy: -1.663 local terms energy: -804.802961 where: bonds (distance) C4'-P energy: -151.151 bonds (distance) P-C4' energy: -157.322 flat angles C4'-P-C4' energy: -195.652 flat angles P-C4'-P energy: -122.551 tors. eta vs tors. theta energy: -178.127 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: 205 Temperature: 1.150000 Total energy: -2269.451771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.451771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.451771 (E_RNA) where: Base-Base interactions energy: -1492.667 where: short stacking energy: -686.044 Base-Backbone interact. energy: -4.026 local terms energy: -772.758980 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -169.862 flat angles C4'-P-C4' energy: -176.021 flat angles P-C4'-P energy: -112.146 tors. eta vs tors. theta energy: -173.728 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: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1847.592488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.592488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.592488 (E_RNA) where: Base-Base interactions energy: -1198.890 where: short stacking energy: -543.762 Base-Backbone interact. energy: 4.623 local terms energy: -653.326090 where: bonds (distance) C4'-P energy: -124.951 bonds (distance) P-C4' energy: -176.679 flat angles C4'-P-C4' energy: -152.979 flat angles P-C4'-P energy: -89.605 tors. eta vs tors. theta energy: -109.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1441.938297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.938297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.938297 (E_RNA) where: Base-Base interactions energy: -839.737 where: short stacking energy: -408.585 Base-Backbone interact. energy: 1.646 local terms energy: -603.847193 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -156.296 flat angles C4'-P-C4' energy: -162.653 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -55.908 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: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1291.152488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.152488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.152488 (E_RNA) where: Base-Base interactions energy: -774.459 where: short stacking energy: -400.615 Base-Backbone interact. energy: 4.432 local terms energy: -521.125548 where: bonds (distance) C4'-P energy: -131.009 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -129.204 flat angles P-C4'-P energy: -86.169 tors. eta vs tors. theta energy: -36.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -737.695398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.695398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.695398 (E_RNA) where: Base-Base interactions energy: -288.602 where: short stacking energy: -203.918 Base-Backbone interact. energy: 0.849 local terms energy: -449.942606 where: bonds (distance) C4'-P energy: -137.080 bonds (distance) P-C4' energy: -145.508 flat angles C4'-P-C4' energy: -120.278 flat angles P-C4'-P energy: -70.961 tors. eta vs tors. theta energy: 23.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3218.055516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.055516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.055516 (E_RNA) where: Base-Base interactions energy: -2197.543 where: short stacking energy: -976.368 Base-Backbone interact. energy: -6.690 local terms energy: -1013.821906 where: bonds (distance) C4'-P energy: -193.029 bonds (distance) P-C4' energy: -185.479 flat angles C4'-P-C4' energy: -214.855 flat angles P-C4'-P energy: -137.462 tors. eta vs tors. theta energy: -282.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -3072.279634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.279634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.279634 (E_RNA) where: Base-Base interactions energy: -2159.556 where: short stacking energy: -901.504 Base-Backbone interact. energy: -3.456 local terms energy: -909.267417 where: bonds (distance) C4'-P energy: -157.474 bonds (distance) P-C4' energy: -174.732 flat angles C4'-P-C4' energy: -205.791 flat angles P-C4'-P energy: -121.337 tors. eta vs tors. theta energy: -249.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2876.328300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.328300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.328300 (E_RNA) where: Base-Base interactions energy: -1989.081 where: short stacking energy: -834.097 Base-Backbone interact. energy: -0.869 local terms energy: -886.377627 where: bonds (distance) C4'-P energy: -149.378 bonds (distance) P-C4' energy: -168.953 flat angles C4'-P-C4' energy: -197.816 flat angles P-C4'-P energy: -137.115 tors. eta vs tors. theta energy: -233.116 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2676.434535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.434535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.434535 (E_RNA) where: Base-Base interactions energy: -1799.737 where: short stacking energy: -782.314 Base-Backbone interact. energy: -0.543 local terms energy: -876.154796 where: bonds (distance) C4'-P energy: -178.583 bonds (distance) P-C4' energy: -175.618 flat angles C4'-P-C4' energy: -188.146 flat angles P-C4'-P energy: -121.375 tors. eta vs tors. theta energy: -212.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2413.398801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.398801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.398801 (E_RNA) where: Base-Base interactions energy: -1630.245 where: short stacking energy: -711.630 Base-Backbone interact. energy: -1.348 local terms energy: -781.805765 where: bonds (distance) C4'-P energy: -155.383 bonds (distance) P-C4' energy: -154.678 flat angles C4'-P-C4' energy: -181.628 flat angles P-C4'-P energy: -126.151 tors. eta vs tors. theta energy: -163.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2308.591338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.591338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.591338 (E_RNA) where: Base-Base interactions energy: -1518.238 where: short stacking energy: -709.535 Base-Backbone interact. energy: 3.249 local terms energy: -793.602637 where: bonds (distance) C4'-P energy: -164.540 bonds (distance) P-C4' energy: -161.557 flat angles C4'-P-C4' energy: -180.641 flat angles P-C4'-P energy: -103.488 tors. eta vs tors. theta energy: -183.378 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: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1773.188241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.188241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.188241 (E_RNA) where: Base-Base interactions energy: -1102.210 where: short stacking energy: -524.363 Base-Backbone interact. energy: 4.887 local terms energy: -675.865245 where: bonds (distance) C4'-P energy: -154.210 bonds (distance) P-C4' energy: -165.137 flat angles C4'-P-C4' energy: -153.772 flat angles P-C4'-P energy: -101.285 tors. eta vs tors. theta energy: -101.462 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: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1577.190387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.190387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.190387 (E_RNA) where: Base-Base interactions energy: -960.507 where: short stacking energy: -492.589 Base-Backbone interact. energy: -0.929 local terms energy: -615.754342 where: bonds (distance) C4'-P energy: -135.406 bonds (distance) P-C4' energy: -156.828 flat angles C4'-P-C4' energy: -153.013 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -85.799 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: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1267.896772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.896772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.896772 (E_RNA) where: Base-Base interactions energy: -734.492 where: short stacking energy: -382.312 Base-Backbone interact. energy: 10.611 local terms energy: -544.015684 where: bonds (distance) C4'-P energy: -153.427 bonds (distance) P-C4' energy: -166.992 flat angles C4'-P-C4' energy: -127.233 flat angles P-C4'-P energy: -74.946 tors. eta vs tors. theta energy: -21.417 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: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -707.519573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.519573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.519573 (E_RNA) where: Base-Base interactions energy: -261.055 where: short stacking energy: -216.405 Base-Backbone interact. energy: 7.858 local terms energy: -454.322837 where: bonds (distance) C4'-P energy: -153.669 bonds (distance) P-C4' energy: -141.496 flat angles C4'-P-C4' energy: -115.970 flat angles P-C4'-P energy: -77.054 tors. eta vs tors. theta energy: 33.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3211.376108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.376108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.376108 (E_RNA) where: Base-Base interactions energy: -2205.228 where: short stacking energy: -955.462 Base-Backbone interact. energy: -6.126 local terms energy: -1000.021722 where: bonds (distance) C4'-P energy: -200.723 bonds (distance) P-C4' energy: -186.993 flat angles C4'-P-C4' energy: -198.348 flat angles P-C4'-P energy: -140.739 tors. eta vs tors. theta energy: -273.219 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: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -3087.647230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.647230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.647230 (E_RNA) where: Base-Base interactions energy: -2134.493 where: short stacking energy: -929.857 Base-Backbone interact. energy: -4.006 local terms energy: -949.147703 where: bonds (distance) C4'-P energy: -154.082 bonds (distance) P-C4' energy: -189.125 flat angles C4'-P-C4' energy: -199.028 flat angles P-C4'-P energy: -145.498 tors. eta vs tors. theta energy: -261.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2889.372189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.372189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.372189 (E_RNA) where: Base-Base interactions energy: -1994.617 where: short stacking energy: -872.738 Base-Backbone interact. energy: -2.670 local terms energy: -892.086013 where: bonds (distance) C4'-P energy: -156.326 bonds (distance) P-C4' energy: -187.412 flat angles C4'-P-C4' energy: -186.742 flat angles P-C4'-P energy: -131.423 tors. eta vs tors. theta energy: -230.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2616.824812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.824812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.824812 (E_RNA) where: Base-Base interactions energy: -1771.157 where: short stacking energy: -777.608 Base-Backbone interact. energy: -2.416 local terms energy: -843.251011 where: bonds (distance) C4'-P energy: -161.183 bonds (distance) P-C4' energy: -165.047 flat angles C4'-P-C4' energy: -184.143 flat angles P-C4'-P energy: -125.070 tors. eta vs tors. theta energy: -207.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2457.323675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.323675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.323675 (E_RNA) where: Base-Base interactions energy: -1659.427 where: short stacking energy: -732.619 Base-Backbone interact. energy: -3.018 local terms energy: -794.878425 where: bonds (distance) C4'-P energy: -154.181 bonds (distance) P-C4' energy: -167.961 flat angles C4'-P-C4' energy: -168.562 flat angles P-C4'-P energy: -126.505 tors. eta vs tors. theta energy: -177.669 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: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2295.712925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.712925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.712925 (E_RNA) where: Base-Base interactions energy: -1542.079 where: short stacking energy: -694.613 Base-Backbone interact. energy: -3.173 local terms energy: -750.460842 where: bonds (distance) C4'-P energy: -149.882 bonds (distance) P-C4' energy: -143.896 flat angles C4'-P-C4' energy: -179.352 flat angles P-C4'-P energy: -100.670 tors. eta vs tors. theta energy: -176.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1815.387340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.387340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.387340 (E_RNA) where: Base-Base interactions energy: -1155.338 where: short stacking energy: -530.849 Base-Backbone interact. energy: -1.925 local terms energy: -658.123983 where: bonds (distance) C4'-P energy: -163.815 bonds (distance) P-C4' energy: -157.900 flat angles C4'-P-C4' energy: -141.448 flat angles P-C4'-P energy: -95.417 tors. eta vs tors. theta energy: -99.544 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: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1566.225499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.225499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.225499 (E_RNA) where: Base-Base interactions energy: -979.286 where: short stacking energy: -452.940 Base-Backbone interact. energy: 1.095 local terms energy: -588.034207 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -147.977 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: -67.959 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: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1274.043615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.043615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.043615 (E_RNA) where: Base-Base interactions energy: -763.783 where: short stacking energy: -350.290 Base-Backbone interact. energy: -0.813 local terms energy: -509.448183 where: bonds (distance) C4'-P energy: -126.554 bonds (distance) P-C4' energy: -150.732 flat angles C4'-P-C4' energy: -112.994 flat angles P-C4'-P energy: -104.266 tors. eta vs tors. theta energy: -14.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -699.351575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.351575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.351575 (E_RNA) where: Base-Base interactions energy: -247.795 where: short stacking energy: -214.627 Base-Backbone interact. energy: -0.623 local terms energy: -450.934164 where: bonds (distance) C4'-P energy: -132.814 bonds (distance) P-C4' energy: -164.020 flat angles C4'-P-C4' energy: -121.454 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: 29.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3168.104602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.104602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.104602 (E_RNA) where: Base-Base interactions energy: -2183.827 where: short stacking energy: -939.129 Base-Backbone interact. energy: -4.600 local terms energy: -979.677043 where: bonds (distance) C4'-P energy: -184.129 bonds (distance) P-C4' energy: -182.840 flat angles C4'-P-C4' energy: -202.626 flat angles P-C4'-P energy: -130.772 tors. eta vs tors. theta energy: -279.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -3090.712476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.712476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.712476 (E_RNA) where: Base-Base interactions energy: -2126.782 where: short stacking energy: -915.072 Base-Backbone interact. energy: -5.682 local terms energy: -958.248419 where: bonds (distance) C4'-P energy: -165.657 bonds (distance) P-C4' energy: -172.977 flat angles C4'-P-C4' energy: -216.318 flat angles P-C4'-P energy: -147.355 tors. eta vs tors. theta energy: -255.941 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: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2890.800305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.800305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.800305 (E_RNA) where: Base-Base interactions energy: -1999.208 where: short stacking energy: -868.757 Base-Backbone interact. energy: -7.522 local terms energy: -884.070339 where: bonds (distance) C4'-P energy: -169.170 bonds (distance) P-C4' energy: -151.752 flat angles C4'-P-C4' energy: -197.932 flat angles P-C4'-P energy: -120.812 tors. eta vs tors. theta energy: -244.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2737.195909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.195909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.195909 (E_RNA) where: Base-Base interactions energy: -1858.693 where: short stacking energy: -782.657 Base-Backbone interact. energy: -1.122 local terms energy: -877.380817 where: bonds (distance) C4'-P energy: -170.347 bonds (distance) P-C4' energy: -174.722 flat angles C4'-P-C4' energy: -192.112 flat angles P-C4'-P energy: -115.879 tors. eta vs tors. theta energy: -224.320 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: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2390.244979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.244979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.244979 (E_RNA) where: Base-Base interactions energy: -1568.021 where: short stacking energy: -713.357 Base-Backbone interact. energy: -2.438 local terms energy: -819.785643 where: bonds (distance) C4'-P energy: -160.674 bonds (distance) P-C4' energy: -149.629 flat angles C4'-P-C4' energy: -196.894 flat angles P-C4'-P energy: -112.716 tors. eta vs tors. theta energy: -199.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2272.655563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.655563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.655563 (E_RNA) where: Base-Base interactions energy: -1518.657 where: short stacking energy: -674.591 Base-Backbone interact. energy: -7.097 local terms energy: -746.901551 where: bonds (distance) C4'-P energy: -154.671 bonds (distance) P-C4' energy: -159.973 flat angles C4'-P-C4' energy: -173.570 flat angles P-C4'-P energy: -104.203 tors. eta vs tors. theta energy: -154.485 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: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1776.668507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.668507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.668507 (E_RNA) where: Base-Base interactions energy: -1130.873 where: short stacking energy: -526.914 Base-Backbone interact. energy: 1.421 local terms energy: -647.216512 where: bonds (distance) C4'-P energy: -157.170 bonds (distance) P-C4' energy: -150.950 flat angles C4'-P-C4' energy: -152.423 flat angles P-C4'-P energy: -89.753 tors. eta vs tors. theta energy: -96.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1603.213841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.213841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.213841 (E_RNA) where: Base-Base interactions energy: -994.008 where: short stacking energy: -513.510 Base-Backbone interact. energy: -2.514 local terms energy: -606.692231 where: bonds (distance) C4'-P energy: -132.507 bonds (distance) P-C4' energy: -160.483 flat angles C4'-P-C4' energy: -157.743 flat angles P-C4'-P energy: -80.273 tors. eta vs tors. theta energy: -75.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1280.017353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.017353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.017353 (E_RNA) where: Base-Base interactions energy: -734.594 where: short stacking energy: -368.375 Base-Backbone interact. energy: 1.294 local terms energy: -546.717857 where: bonds (distance) C4'-P energy: -141.070 bonds (distance) P-C4' energy: -161.767 flat angles C4'-P-C4' energy: -146.984 flat angles P-C4'-P energy: -85.430 tors. eta vs tors. theta energy: -11.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -838.450093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.450093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.450093 (E_RNA) where: Base-Base interactions energy: -356.106 where: short stacking energy: -223.575 Base-Backbone interact. energy: -3.436 local terms energy: -478.908098 where: bonds (distance) C4'-P energy: -134.924 bonds (distance) P-C4' energy: -160.620 flat angles C4'-P-C4' energy: -131.318 flat angles P-C4'-P energy: -85.663 tors. eta vs tors. theta energy: 33.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3203.545154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.545154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.545154 (E_RNA) where: Base-Base interactions energy: -2206.540 where: short stacking energy: -959.623 Base-Backbone interact. energy: -8.673 local terms energy: -988.331645 where: bonds (distance) C4'-P energy: -183.238 bonds (distance) P-C4' energy: -180.904 flat angles C4'-P-C4' energy: -208.973 flat angles P-C4'-P energy: -130.209 tors. eta vs tors. theta energy: -285.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -3111.667676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.667676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.667676 (E_RNA) where: Base-Base interactions energy: -2156.005 where: short stacking energy: -923.403 Base-Backbone interact. energy: -4.528 local terms energy: -951.134750 where: bonds (distance) C4'-P energy: -163.167 bonds (distance) P-C4' energy: -180.358 flat angles C4'-P-C4' energy: -209.125 flat angles P-C4'-P energy: -143.985 tors. eta vs tors. theta energy: -254.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2891.917498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.917498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.917498 (E_RNA) where: Base-Base interactions energy: -1989.617 where: short stacking energy: -881.171 Base-Backbone interact. energy: -2.400 local terms energy: -899.900538 where: bonds (distance) C4'-P energy: -170.695 bonds (distance) P-C4' energy: -167.592 flat angles C4'-P-C4' energy: -200.924 flat angles P-C4'-P energy: -131.530 tors. eta vs tors. theta energy: -229.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2761.067209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.067209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.067209 (E_RNA) where: Base-Base interactions energy: -1882.165 where: short stacking energy: -816.763 Base-Backbone interact. energy: -6.859 local terms energy: -872.043587 where: bonds (distance) C4'-P energy: -178.625 bonds (distance) P-C4' energy: -158.138 flat angles C4'-P-C4' energy: -188.143 flat angles P-C4'-P energy: -130.355 tors. eta vs tors. theta energy: -216.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2460.728028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.728028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.728028 (E_RNA) where: Base-Base interactions energy: -1648.541 where: short stacking energy: -750.484 Base-Backbone interact. energy: 0.108 local terms energy: -812.294130 where: bonds (distance) C4'-P energy: -168.417 bonds (distance) P-C4' energy: -136.972 flat angles C4'-P-C4' energy: -192.096 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -206.550 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: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2230.706195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.706195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.706195 (E_RNA) where: Base-Base interactions energy: -1484.373 where: short stacking energy: -639.531 Base-Backbone interact. energy: 2.669 local terms energy: -749.002565 where: bonds (distance) C4'-P energy: -160.676 bonds (distance) P-C4' energy: -172.034 flat angles C4'-P-C4' energy: -159.003 flat angles P-C4'-P energy: -109.619 tors. eta vs tors. theta energy: -147.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1768.402902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.402902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.402902 (E_RNA) where: Base-Base interactions energy: -1105.962 where: short stacking energy: -531.995 Base-Backbone interact. energy: -1.715 local terms energy: -660.725543 where: bonds (distance) C4'-P energy: -136.294 bonds (distance) P-C4' energy: -163.871 flat angles C4'-P-C4' energy: -148.046 flat angles P-C4'-P energy: -91.317 tors. eta vs tors. theta energy: -121.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1542.661846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.661846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.661846 (E_RNA) where: Base-Base interactions energy: -908.226 where: short stacking energy: -460.219 Base-Backbone interact. energy: -4.548 local terms energy: -629.888546 where: bonds (distance) C4'-P energy: -137.088 bonds (distance) P-C4' energy: -154.997 flat angles C4'-P-C4' energy: -172.602 flat angles P-C4'-P energy: -89.490 tors. eta vs tors. theta energy: -75.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1216.362853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.362853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.362853 (E_RNA) where: Base-Base interactions energy: -676.648 where: short stacking energy: -343.386 Base-Backbone interact. energy: 8.659 local terms energy: -548.374040 where: bonds (distance) C4'-P energy: -149.233 bonds (distance) P-C4' energy: -136.305 flat angles C4'-P-C4' energy: -152.922 flat angles P-C4'-P energy: -83.944 tors. eta vs tors. theta energy: -25.970 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: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -687.729286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.729286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.729286 (E_RNA) where: Base-Base interactions energy: -239.722 where: short stacking energy: -184.532 Base-Backbone interact. energy: -0.138 local terms energy: -447.868604 where: bonds (distance) C4'-P energy: -124.144 bonds (distance) P-C4' energy: -169.425 flat angles C4'-P-C4' energy: -117.802 flat angles P-C4'-P energy: -78.979 tors. eta vs tors. theta energy: 42.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3200.965264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.965264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.965264 (E_RNA) where: Base-Base interactions energy: -2221.262 where: short stacking energy: -934.731 Base-Backbone interact. energy: -6.809 local terms energy: -972.894966 where: bonds (distance) C4'-P energy: -177.818 bonds (distance) P-C4' energy: -179.589 flat angles C4'-P-C4' energy: -203.140 flat angles P-C4'-P energy: -125.791 tors. eta vs tors. theta energy: -286.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -3098.068777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.068777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.068777 (E_RNA) where: Base-Base interactions energy: -2168.796 where: short stacking energy: -932.458 Base-Backbone interact. energy: -3.672 local terms energy: -925.600753 where: bonds (distance) C4'-P energy: -159.884 bonds (distance) P-C4' energy: -180.167 flat angles C4'-P-C4' energy: -194.080 flat angles P-C4'-P energy: -127.268 tors. eta vs tors. theta energy: -264.202 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: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2852.185007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.185007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.185007 (E_RNA) where: Base-Base interactions energy: -1970.892 where: short stacking energy: -847.385 Base-Backbone interact. energy: -1.347 local terms energy: -879.946530 where: bonds (distance) C4'-P energy: -173.904 bonds (distance) P-C4' energy: -171.994 flat angles C4'-P-C4' energy: -187.142 flat angles P-C4'-P energy: -111.014 tors. eta vs tors. theta energy: -235.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2709.350704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.350704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.350704 (E_RNA) where: Base-Base interactions energy: -1814.248 where: short stacking energy: -809.368 Base-Backbone interact. energy: -4.375 local terms energy: -890.727363 where: bonds (distance) C4'-P energy: -164.866 bonds (distance) P-C4' energy: -178.884 flat angles C4'-P-C4' energy: -203.610 flat angles P-C4'-P energy: -129.243 tors. eta vs tors. theta energy: -214.126 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: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2481.201626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.201626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.201626 (E_RNA) where: Base-Base interactions energy: -1673.049 where: short stacking energy: -785.048 Base-Backbone interact. energy: -3.640 local terms energy: -804.512815 where: bonds (distance) C4'-P energy: -141.410 bonds (distance) P-C4' energy: -168.268 flat angles C4'-P-C4' energy: -180.451 flat angles P-C4'-P energy: -106.749 tors. eta vs tors. theta energy: -207.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2169.046155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.046155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.046155 (E_RNA) where: Base-Base interactions energy: -1436.044 where: short stacking energy: -674.965 Base-Backbone interact. energy: -2.232 local terms energy: -730.770095 where: bonds (distance) C4'-P energy: -149.175 bonds (distance) P-C4' energy: -171.611 flat angles C4'-P-C4' energy: -166.760 flat angles P-C4'-P energy: -86.669 tors. eta vs tors. theta energy: -156.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1765.700567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.700567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.700567 (E_RNA) where: Base-Base interactions energy: -1094.932 where: short stacking energy: -540.522 Base-Backbone interact. energy: -1.498 local terms energy: -669.271128 where: bonds (distance) C4'-P energy: -133.783 bonds (distance) P-C4' energy: -160.577 flat angles C4'-P-C4' energy: -173.910 flat angles P-C4'-P energy: -80.698 tors. eta vs tors. theta energy: -120.303 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: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1578.475673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.475673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.475673 (E_RNA) where: Base-Base interactions energy: -930.769 where: short stacking energy: -450.424 Base-Backbone interact. energy: 2.800 local terms energy: -650.506480 where: bonds (distance) C4'-P energy: -157.181 bonds (distance) P-C4' energy: -178.236 flat angles C4'-P-C4' energy: -154.244 flat angles P-C4'-P energy: -95.900 tors. eta vs tors. theta energy: -64.946 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: 2 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1235.659371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.659371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.659371 (E_RNA) where: Base-Base interactions energy: -707.056 where: short stacking energy: -343.482 Base-Backbone interact. energy: 2.670 local terms energy: -531.273539 where: bonds (distance) C4'-P energy: -160.778 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -139.407 flat angles P-C4'-P energy: -65.312 tors. eta vs tors. theta energy: -28.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -761.339220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.339220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.339220 (E_RNA) where: Base-Base interactions energy: -326.152 where: short stacking energy: -247.754 Base-Backbone interact. energy: -0.712 local terms energy: -434.475324 where: bonds (distance) C4'-P energy: -134.626 bonds (distance) P-C4' energy: -141.221 flat angles C4'-P-C4' energy: -121.763 flat angles P-C4'-P energy: -52.634 tors. eta vs tors. theta energy: 15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3242.490046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.490046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.490046 (E_RNA) where: Base-Base interactions energy: -2230.650 where: short stacking energy: -979.550 Base-Backbone interact. energy: 1.551 local terms energy: -1013.391085 where: bonds (distance) C4'-P energy: -187.141 bonds (distance) P-C4' energy: -185.626 flat angles C4'-P-C4' energy: -211.931 flat angles P-C4'-P energy: -133.984 tors. eta vs tors. theta energy: -294.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -3078.902065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.902065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.902065 (E_RNA) where: Base-Base interactions energy: -2128.228 where: short stacking energy: -923.121 Base-Backbone interact. energy: -5.241 local terms energy: -945.433758 where: bonds (distance) C4'-P energy: -174.346 bonds (distance) P-C4' energy: -170.185 flat angles C4'-P-C4' energy: -206.178 flat angles P-C4'-P energy: -134.967 tors. eta vs tors. theta energy: -259.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2904.455292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.455292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.455292 (E_RNA) where: Base-Base interactions energy: -1995.798 where: short stacking energy: -823.746 Base-Backbone interact. energy: -4.523 local terms energy: -904.134186 where: bonds (distance) C4'-P energy: -166.463 bonds (distance) P-C4' energy: -177.918 flat angles C4'-P-C4' energy: -213.304 flat angles P-C4'-P energy: -116.684 tors. eta vs tors. theta energy: -229.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2688.436509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.436509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.436509 (E_RNA) where: Base-Base interactions energy: -1816.343 where: short stacking energy: -813.285 Base-Backbone interact. energy: -2.950 local terms energy: -869.143731 where: bonds (distance) C4'-P energy: -168.970 bonds (distance) P-C4' energy: -185.608 flat angles C4'-P-C4' energy: -189.013 flat angles P-C4'-P energy: -107.313 tors. eta vs tors. theta energy: -218.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2474.133092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.133092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.133092 (E_RNA) where: Base-Base interactions energy: -1635.580 where: short stacking energy: -741.086 Base-Backbone interact. energy: -3.625 local terms energy: -834.928908 where: bonds (distance) C4'-P energy: -159.071 bonds (distance) P-C4' energy: -172.892 flat angles C4'-P-C4' energy: -176.386 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -218.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2181.215045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.215045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.215045 (E_RNA) where: Base-Base interactions energy: -1459.982 where: short stacking energy: -648.281 Base-Backbone interact. energy: -1.356 local terms energy: -719.877573 where: bonds (distance) C4'-P energy: -144.632 bonds (distance) P-C4' energy: -144.057 flat angles C4'-P-C4' energy: -162.261 flat angles P-C4'-P energy: -125.216 tors. eta vs tors. theta energy: -143.713 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: 211 Temperature: 1.200000 Total energy: -1790.345328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.345328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.345328 (E_RNA) where: Base-Base interactions energy: -1100.658 where: short stacking energy: -538.813 Base-Backbone interact. energy: -4.110 local terms energy: -685.577499 where: bonds (distance) C4'-P energy: -160.032 bonds (distance) P-C4' energy: -165.409 flat angles C4'-P-C4' energy: -159.148 flat angles P-C4'-P energy: -90.491 tors. eta vs tors. theta energy: -110.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1488.050224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.050224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.050224 (E_RNA) where: Base-Base interactions energy: -895.887 where: short stacking energy: -451.762 Base-Backbone interact. energy: 5.586 local terms energy: -597.749495 where: bonds (distance) C4'-P energy: -137.087 bonds (distance) P-C4' energy: -159.603 flat angles C4'-P-C4' energy: -149.158 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -66.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1281.481288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.481288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.481288 (E_RNA) where: Base-Base interactions energy: -747.624 where: short stacking energy: -364.392 Base-Backbone interact. energy: 3.219 local terms energy: -537.076610 where: bonds (distance) C4'-P energy: -142.243 bonds (distance) P-C4' energy: -171.122 flat angles C4'-P-C4' energy: -119.703 flat angles P-C4'-P energy: -80.294 tors. eta vs tors. theta energy: -23.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -801.416858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.416858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.416858 (E_RNA) where: Base-Base interactions energy: -331.521 where: short stacking energy: -249.499 Base-Backbone interact. energy: 0.741 local terms energy: -470.636177 where: bonds (distance) C4'-P energy: -136.576 bonds (distance) P-C4' energy: -147.738 flat angles C4'-P-C4' energy: -120.749 flat angles P-C4'-P energy: -78.728 tors. eta vs tors. theta energy: 13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3217.984493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.984493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.984493 (E_RNA) where: Base-Base interactions energy: -2209.132 where: short stacking energy: -972.061 Base-Backbone interact. energy: -4.199 local terms energy: -1004.653608 where: bonds (distance) C4'-P energy: -201.777 bonds (distance) P-C4' energy: -191.849 flat angles C4'-P-C4' energy: -204.359 flat angles P-C4'-P energy: -123.506 tors. eta vs tors. theta energy: -283.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -3091.604085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.604085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.604085 (E_RNA) where: Base-Base interactions energy: -2163.456 where: short stacking energy: -921.218 Base-Backbone interact. energy: -5.791 local terms energy: -922.356768 where: bonds (distance) C4'-P energy: -169.512 bonds (distance) P-C4' energy: -179.342 flat angles C4'-P-C4' energy: -211.893 flat angles P-C4'-P energy: -114.760 tors. eta vs tors. theta energy: -246.849 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: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2920.974822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.974822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.974822 (E_RNA) where: Base-Base interactions energy: -2012.631 where: short stacking energy: -870.112 Base-Backbone interact. energy: -6.593 local terms energy: -901.750773 where: bonds (distance) C4'-P energy: -165.883 bonds (distance) P-C4' energy: -160.395 flat angles C4'-P-C4' energy: -201.839 flat angles P-C4'-P energy: -137.519 tors. eta vs tors. theta energy: -236.115 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: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2716.933406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.933406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.933406 (E_RNA) where: Base-Base interactions energy: -1845.161 where: short stacking energy: -839.161 Base-Backbone interact. energy: -5.355 local terms energy: -866.417272 where: bonds (distance) C4'-P energy: -174.084 bonds (distance) P-C4' energy: -165.963 flat angles C4'-P-C4' energy: -171.842 flat angles P-C4'-P energy: -129.844 tors. eta vs tors. theta energy: -224.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2541.041605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.041605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.041605 (E_RNA) where: Base-Base interactions energy: -1672.273 where: short stacking energy: -745.528 Base-Backbone interact. energy: -0.601 local terms energy: -868.168076 where: bonds (distance) C4'-P energy: -175.351 bonds (distance) P-C4' energy: -166.180 flat angles C4'-P-C4' energy: -176.460 flat angles P-C4'-P energy: -135.391 tors. eta vs tors. theta energy: -214.785 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: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2160.712334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.712334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.712334 (E_RNA) where: Base-Base interactions energy: -1421.434 where: short stacking energy: -634.401 Base-Backbone interact. energy: -5.595 local terms energy: -733.682937 where: bonds (distance) C4'-P energy: -142.306 bonds (distance) P-C4' energy: -159.966 flat angles C4'-P-C4' energy: -176.844 flat angles P-C4'-P energy: -102.567 tors. eta vs tors. theta energy: -151.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1747.858881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.858881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.858881 (E_RNA) where: Base-Base interactions energy: -1075.456 where: short stacking energy: -540.375 Base-Backbone interact. energy: 1.432 local terms energy: -673.835092 where: bonds (distance) C4'-P energy: -140.327 bonds (distance) P-C4' energy: -162.688 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -114.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1526.761057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.761057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.761057 (E_RNA) where: Base-Base interactions energy: -916.728 where: short stacking energy: -439.665 Base-Backbone interact. energy: 1.153 local terms energy: -611.186005 where: bonds (distance) C4'-P energy: -166.014 bonds (distance) P-C4' energy: -155.676 flat angles C4'-P-C4' energy: -138.762 flat angles P-C4'-P energy: -82.706 tors. eta vs tors. theta energy: -68.027 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: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1228.670303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.670303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.670303 (E_RNA) where: Base-Base interactions energy: -678.267 where: short stacking energy: -320.239 Base-Backbone interact. energy: -4.204 local terms energy: -546.199394 where: bonds (distance) C4'-P energy: -155.676 bonds (distance) P-C4' energy: -159.040 flat angles C4'-P-C4' energy: -154.435 flat angles P-C4'-P energy: -62.801 tors. eta vs tors. theta energy: -14.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -813.179568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.179568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.179568 (E_RNA) where: Base-Base interactions energy: -340.208 where: short stacking energy: -231.949 Base-Backbone interact. energy: 0.018 local terms energy: -472.989152 where: bonds (distance) C4'-P energy: -153.132 bonds (distance) P-C4' energy: -139.608 flat angles C4'-P-C4' energy: -119.087 flat angles P-C4'-P energy: -97.545 tors. eta vs tors. theta energy: 36.383 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: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3210.732816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.732816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.732816 (E_RNA) where: Base-Base interactions energy: -2204.490 where: short stacking energy: -941.397 Base-Backbone interact. energy: -5.174 local terms energy: -1001.068810 where: bonds (distance) C4'-P energy: -203.067 bonds (distance) P-C4' energy: -178.202 flat angles C4'-P-C4' energy: -210.678 flat angles P-C4'-P energy: -127.011 tors. eta vs tors. theta energy: -282.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -3056.903052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.903052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.903052 (E_RNA) where: Base-Base interactions energy: -2118.761 where: short stacking energy: -921.298 Base-Backbone interact. energy: -3.288 local terms energy: -934.854462 where: bonds (distance) C4'-P energy: -161.095 bonds (distance) P-C4' energy: -184.619 flat angles C4'-P-C4' energy: -203.417 flat angles P-C4'-P energy: -125.696 tors. eta vs tors. theta energy: -260.028 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: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2880.924585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.924585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.924585 (E_RNA) where: Base-Base interactions energy: -1929.019 where: short stacking energy: -850.003 Base-Backbone interact. energy: 0.260 local terms energy: -952.165650 where: bonds (distance) C4'-P energy: -167.971 bonds (distance) P-C4' energy: -185.276 flat angles C4'-P-C4' energy: -205.045 flat angles P-C4'-P energy: -141.920 tors. eta vs tors. theta energy: -251.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2744.501167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.501167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.501167 (E_RNA) where: Base-Base interactions energy: -1865.813 where: short stacking energy: -824.214 Base-Backbone interact. energy: -5.304 local terms energy: -873.384702 where: bonds (distance) C4'-P energy: -159.408 bonds (distance) P-C4' energy: -185.148 flat angles C4'-P-C4' energy: -199.427 flat angles P-C4'-P energy: -115.791 tors. eta vs tors. theta energy: -213.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2474.902362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.902362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.902362 (E_RNA) where: Base-Base interactions energy: -1664.563 where: short stacking energy: -751.188 Base-Backbone interact. energy: -0.123 local terms energy: -810.216517 where: bonds (distance) C4'-P energy: -145.097 bonds (distance) P-C4' energy: -169.834 flat angles C4'-P-C4' energy: -189.290 flat angles P-C4'-P energy: -106.343 tors. eta vs tors. theta energy: -199.652 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: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2232.979947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.979947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.979947 (E_RNA) where: Base-Base interactions energy: -1453.673 where: short stacking energy: -675.852 Base-Backbone interact. energy: -3.182 local terms energy: -776.124278 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -171.706 flat angles C4'-P-C4' energy: -184.452 flat angles P-C4'-P energy: -107.471 tors. eta vs tors. theta energy: -149.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1839.437618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.437618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.437618 (E_RNA) where: Base-Base interactions energy: -1147.705 where: short stacking energy: -556.665 Base-Backbone interact. energy: 1.624 local terms energy: -693.356212 where: bonds (distance) C4'-P energy: -153.881 bonds (distance) P-C4' energy: -150.620 flat angles C4'-P-C4' energy: -157.345 flat angles P-C4'-P energy: -119.195 tors. eta vs tors. theta energy: -112.315 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: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1519.307221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.307221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.307221 (E_RNA) where: Base-Base interactions energy: -883.023 where: short stacking energy: -436.442 Base-Backbone interact. energy: -0.797 local terms energy: -635.487300 where: bonds (distance) C4'-P energy: -158.105 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -145.699 flat angles P-C4'-P energy: -117.595 tors. eta vs tors. theta energy: -54.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1185.946429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.946429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.946429 (E_RNA) where: Base-Base interactions energy: -668.457 where: short stacking energy: -343.359 Base-Backbone interact. energy: -0.883 local terms energy: -516.606813 where: bonds (distance) C4'-P energy: -130.535 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -140.176 flat angles P-C4'-P energy: -79.677 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: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -792.643842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.643842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.643842 (E_RNA) where: Base-Base interactions energy: -347.464 where: short stacking energy: -234.259 Base-Backbone interact. energy: -1.826 local terms energy: -443.354335 where: bonds (distance) C4'-P energy: -140.377 bonds (distance) P-C4' energy: -145.295 flat angles C4'-P-C4' energy: -119.931 flat angles P-C4'-P energy: -78.747 tors. eta vs tors. theta energy: 40.995 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: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3191.315910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.315910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.315910 (E_RNA) where: Base-Base interactions energy: -2182.338 where: short stacking energy: -953.810 Base-Backbone interact. energy: -5.659 local terms energy: -1003.319884 where: bonds (distance) C4'-P energy: -185.345 bonds (distance) P-C4' energy: -200.663 flat angles C4'-P-C4' energy: -205.877 flat angles P-C4'-P energy: -130.617 tors. eta vs tors. theta energy: -280.818 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: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -3085.508672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.508672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.508672 (E_RNA) where: Base-Base interactions energy: -2123.477 where: short stacking energy: -924.284 Base-Backbone interact. energy: -4.774 local terms energy: -957.257696 where: bonds (distance) C4'-P energy: -170.235 bonds (distance) P-C4' energy: -182.123 flat angles C4'-P-C4' energy: -204.522 flat angles P-C4'-P energy: -130.795 tors. eta vs tors. theta energy: -269.583 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: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2863.319230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.319230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.319230 (E_RNA) where: Base-Base interactions energy: -1945.371 where: short stacking energy: -851.862 Base-Backbone interact. energy: -4.381 local terms energy: -913.568111 where: bonds (distance) C4'-P energy: -157.890 bonds (distance) P-C4' energy: -171.142 flat angles C4'-P-C4' energy: -202.355 flat angles P-C4'-P energy: -133.419 tors. eta vs tors. theta energy: -248.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2768.990626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.990626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.990626 (E_RNA) where: Base-Base interactions energy: -1858.575 where: short stacking energy: -875.157 Base-Backbone interact. energy: -4.778 local terms energy: -905.637633 where: bonds (distance) C4'-P energy: -186.142 bonds (distance) P-C4' energy: -155.021 flat angles C4'-P-C4' energy: -210.943 flat angles P-C4'-P energy: -126.394 tors. eta vs tors. theta energy: -227.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2539.215232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.215232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.215232 (E_RNA) where: Base-Base interactions energy: -1689.820 where: short stacking energy: -772.488 Base-Backbone interact. energy: -5.839 local terms energy: -843.556058 where: bonds (distance) C4'-P energy: -157.692 bonds (distance) P-C4' energy: -155.704 flat angles C4'-P-C4' energy: -179.959 flat angles P-C4'-P energy: -126.548 tors. eta vs tors. theta energy: -223.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2191.744723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.744723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.744723 (E_RNA) where: Base-Base interactions energy: -1459.074 where: short stacking energy: -646.036 Base-Backbone interact. energy: -0.419 local terms energy: -732.252598 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -169.796 flat angles C4'-P-C4' energy: -165.180 flat angles P-C4'-P energy: -96.522 tors. eta vs tors. theta energy: -162.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1828.948971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.948971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.948971 (E_RNA) where: Base-Base interactions energy: -1132.816 where: short stacking energy: -519.513 Base-Backbone interact. energy: -0.719 local terms energy: -695.414136 where: bonds (distance) C4'-P energy: -152.264 bonds (distance) P-C4' energy: -178.896 flat angles C4'-P-C4' energy: -175.100 flat angles P-C4'-P energy: -89.094 tors. eta vs tors. theta energy: -100.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1511.448675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.448675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.448675 (E_RNA) where: Base-Base interactions energy: -864.747 where: short stacking energy: -443.018 Base-Backbone interact. energy: -4.075 local terms energy: -642.627126 where: bonds (distance) C4'-P energy: -157.945 bonds (distance) P-C4' energy: -164.211 flat angles C4'-P-C4' energy: -155.162 flat angles P-C4'-P energy: -106.928 tors. eta vs tors. theta energy: -58.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1145.534046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.534046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.534046 (E_RNA) where: Base-Base interactions energy: -618.711 where: short stacking energy: -328.070 Base-Backbone interact. energy: -3.160 local terms energy: -523.662903 where: bonds (distance) C4'-P energy: -132.623 bonds (distance) P-C4' energy: -152.035 flat angles C4'-P-C4' energy: -131.216 flat angles P-C4'-P energy: -96.523 tors. eta vs tors. theta energy: -11.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -831.562130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.562130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.562130 (E_RNA) where: Base-Base interactions energy: -368.234 where: short stacking energy: -246.137 Base-Backbone interact. energy: 3.342 local terms energy: -466.670344 where: bonds (distance) C4'-P energy: -149.791 bonds (distance) P-C4' energy: -158.521 flat angles C4'-P-C4' energy: -93.405 flat angles P-C4'-P energy: -77.869 tors. eta vs tors. theta energy: 12.916 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: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3190.620125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.620125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.620125 (E_RNA) where: Base-Base interactions energy: -2199.121 where: short stacking energy: -956.360 Base-Backbone interact. energy: -6.933 local terms energy: -984.566469 where: bonds (distance) C4'-P energy: -177.109 bonds (distance) P-C4' energy: -186.591 flat angles C4'-P-C4' energy: -209.648 flat angles P-C4'-P energy: -130.808 tors. eta vs tors. theta energy: -280.411 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: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -3067.386598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.386598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.386598 (E_RNA) where: Base-Base interactions energy: -2109.587 where: short stacking energy: -924.903 Base-Backbone interact. energy: -3.444 local terms energy: -954.355452 where: bonds (distance) C4'-P energy: -195.205 bonds (distance) P-C4' energy: -147.091 flat angles C4'-P-C4' energy: -194.898 flat angles P-C4'-P energy: -144.707 tors. eta vs tors. theta energy: -272.454 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: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2837.671310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.671310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.671310 (E_RNA) where: Base-Base interactions energy: -1920.999 where: short stacking energy: -843.936 Base-Backbone interact. energy: -5.375 local terms energy: -911.296481 where: bonds (distance) C4'-P energy: -175.109 bonds (distance) P-C4' energy: -194.019 flat angles C4'-P-C4' energy: -190.610 flat angles P-C4'-P energy: -126.479 tors. eta vs tors. theta energy: -225.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2711.539938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.539938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.539938 (E_RNA) where: Base-Base interactions energy: -1833.537 where: short stacking energy: -823.674 Base-Backbone interact. energy: 2.239 local terms energy: -880.241792 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -177.899 flat angles C4'-P-C4' energy: -214.995 flat angles P-C4'-P energy: -120.932 tors. eta vs tors. theta energy: -210.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2564.494871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.494871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.494871 (E_RNA) where: Base-Base interactions energy: -1712.598 where: short stacking energy: -744.029 Base-Backbone interact. energy: -4.674 local terms energy: -847.222575 where: bonds (distance) C4'-P energy: -174.479 bonds (distance) P-C4' energy: -161.845 flat angles C4'-P-C4' energy: -186.093 flat angles P-C4'-P energy: -115.136 tors. eta vs tors. theta energy: -209.669 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: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2183.448934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.448934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.448934 (E_RNA) where: Base-Base interactions energy: -1458.258 where: short stacking energy: -609.020 Base-Backbone interact. energy: -1.914 local terms energy: -723.277088 where: bonds (distance) C4'-P energy: -154.281 bonds (distance) P-C4' energy: -170.618 flat angles C4'-P-C4' energy: -149.848 flat angles P-C4'-P energy: -112.332 tors. eta vs tors. theta energy: -136.197 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: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1838.149362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.149362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.149362 (E_RNA) where: Base-Base interactions energy: -1146.458 where: short stacking energy: -554.696 Base-Backbone interact. energy: -2.278 local terms energy: -689.413281 where: bonds (distance) C4'-P energy: -146.292 bonds (distance) P-C4' energy: -150.015 flat angles C4'-P-C4' energy: -164.551 flat angles P-C4'-P energy: -107.440 tors. eta vs tors. theta energy: -121.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1529.525420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.525420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.525420 (E_RNA) where: Base-Base interactions energy: -878.887 where: short stacking energy: -400.675 Base-Backbone interact. energy: 1.049 local terms energy: -651.687233 where: bonds (distance) C4'-P energy: -151.285 bonds (distance) P-C4' energy: -156.318 flat angles C4'-P-C4' energy: -165.427 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -74.342 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: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1176.155324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.155324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.155324 (E_RNA) where: Base-Base interactions energy: -636.691 where: short stacking energy: -357.756 Base-Backbone interact. energy: 4.188 local terms energy: -543.652141 where: bonds (distance) C4'-P energy: -134.194 bonds (distance) P-C4' energy: -144.900 flat angles C4'-P-C4' energy: -148.196 flat angles P-C4'-P energy: -98.388 tors. eta vs tors. theta energy: -17.974 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: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -825.730301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.730301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.730301 (E_RNA) where: Base-Base interactions energy: -387.484 where: short stacking energy: -255.259 Base-Backbone interact. energy: 1.937 local terms energy: -440.184012 where: bonds (distance) C4'-P energy: -111.287 bonds (distance) P-C4' energy: -171.169 flat angles C4'-P-C4' energy: -111.702 flat angles P-C4'-P energy: -58.501 tors. eta vs tors. theta energy: 12.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3205.751864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.751864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.751864 (E_RNA) where: Base-Base interactions energy: -2212.855 where: short stacking energy: -977.133 Base-Backbone interact. energy: -7.911 local terms energy: -984.986015 where: bonds (distance) C4'-P energy: -169.637 bonds (distance) P-C4' energy: -185.960 flat angles C4'-P-C4' energy: -197.709 flat angles P-C4'-P energy: -139.954 tors. eta vs tors. theta energy: -291.726 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: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -3038.134052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.134052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.134052 (E_RNA) where: Base-Base interactions energy: -2077.747 where: short stacking energy: -923.002 Base-Backbone interact. energy: -5.618 local terms energy: -954.769013 where: bonds (distance) C4'-P energy: -170.053 bonds (distance) P-C4' energy: -192.697 flat angles C4'-P-C4' energy: -211.078 flat angles P-C4'-P energy: -125.899 tors. eta vs tors. theta energy: -255.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2881.209044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.209044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.209044 (E_RNA) where: Base-Base interactions energy: -1978.894 where: short stacking energy: -867.989 Base-Backbone interact. energy: 1.370 local terms energy: -903.685057 where: bonds (distance) C4'-P energy: -158.016 bonds (distance) P-C4' energy: -184.555 flat angles C4'-P-C4' energy: -207.202 flat angles P-C4'-P energy: -113.323 tors. eta vs tors. theta energy: -240.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2706.884890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.884890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.884890 (E_RNA) where: Base-Base interactions energy: -1846.534 where: short stacking energy: -790.084 Base-Backbone interact. energy: -6.996 local terms energy: -853.355080 where: bonds (distance) C4'-P energy: -163.079 bonds (distance) P-C4' energy: -170.645 flat angles C4'-P-C4' energy: -191.430 flat angles P-C4'-P energy: -117.651 tors. eta vs tors. theta energy: -210.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2650.211507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.211507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.211507 (E_RNA) where: Base-Base interactions energy: -1789.586 where: short stacking energy: -840.447 Base-Backbone interact. energy: -0.042 local terms energy: -860.582564 where: bonds (distance) C4'-P energy: -155.371 bonds (distance) P-C4' energy: -176.153 flat angles C4'-P-C4' energy: -193.495 flat angles P-C4'-P energy: -105.329 tors. eta vs tors. theta energy: -230.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2210.115167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.115167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.115167 (E_RNA) where: Base-Base interactions energy: -1476.019 where: short stacking energy: -628.956 Base-Backbone interact. energy: -5.067 local terms energy: -729.029166 where: bonds (distance) C4'-P energy: -164.509 bonds (distance) P-C4' energy: -157.020 flat angles C4'-P-C4' energy: -167.594 flat angles P-C4'-P energy: -98.436 tors. eta vs tors. theta energy: -141.470 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: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1789.634019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.634019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.634019 (E_RNA) where: Base-Base interactions energy: -1112.125 where: short stacking energy: -492.841 Base-Backbone interact. energy: -1.751 local terms energy: -675.757365 where: bonds (distance) C4'-P energy: -170.277 bonds (distance) P-C4' energy: -159.264 flat angles C4'-P-C4' energy: -138.628 flat angles P-C4'-P energy: -121.562 tors. eta vs tors. theta energy: -86.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1538.299551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.299551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.299551 (E_RNA) where: Base-Base interactions energy: -945.125 where: short stacking energy: -474.522 Base-Backbone interact. energy: -1.671 local terms energy: -591.503751 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -165.054 flat angles C4'-P-C4' energy: -159.096 flat angles P-C4'-P energy: -78.230 tors. eta vs tors. theta energy: -78.179 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: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1273.119542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.119542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.119542 (E_RNA) where: Base-Base interactions energy: -722.501 where: short stacking energy: -399.436 Base-Backbone interact. energy: -4.512 local terms energy: -546.106929 where: bonds (distance) C4'-P energy: -126.113 bonds (distance) P-C4' energy: -135.750 flat angles C4'-P-C4' energy: -158.477 flat angles P-C4'-P energy: -85.682 tors. eta vs tors. theta energy: -40.085 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: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -891.329832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.329832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.329832 (E_RNA) where: Base-Base interactions energy: -390.483 where: short stacking energy: -232.483 Base-Backbone interact. energy: 2.947 local terms energy: -503.794307 where: bonds (distance) C4'-P energy: -159.226 bonds (distance) P-C4' energy: -130.796 flat angles C4'-P-C4' energy: -130.270 flat angles P-C4'-P energy: -87.999 tors. eta vs tors. theta energy: 4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3176.257182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.257182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.257182 (E_RNA) where: Base-Base interactions energy: -2189.002 where: short stacking energy: -961.559 Base-Backbone interact. energy: -8.852 local terms energy: -978.403301 where: bonds (distance) C4'-P energy: -179.360 bonds (distance) P-C4' energy: -174.072 flat angles C4'-P-C4' energy: -199.581 flat angles P-C4'-P energy: -151.295 tors. eta vs tors. theta energy: -274.096 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: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -3040.145321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.145321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.145321 (E_RNA) where: Base-Base interactions energy: -2085.175 where: short stacking energy: -906.400 Base-Backbone interact. energy: 2.719 local terms energy: -957.689895 where: bonds (distance) C4'-P energy: -181.219 bonds (distance) P-C4' energy: -178.002 flat angles C4'-P-C4' energy: -190.322 flat angles P-C4'-P energy: -144.497 tors. eta vs tors. theta energy: -263.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2967.937533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.937533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.937533 (E_RNA) where: Base-Base interactions energy: -2059.703 where: short stacking energy: -903.552 Base-Backbone interact. energy: -2.198 local terms energy: -906.036642 where: bonds (distance) C4'-P energy: -152.306 bonds (distance) P-C4' energy: -181.804 flat angles C4'-P-C4' energy: -199.687 flat angles P-C4'-P energy: -124.496 tors. eta vs tors. theta energy: -247.744 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2691.590459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.590459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.590459 (E_RNA) where: Base-Base interactions energy: -1825.714 where: short stacking energy: -811.372 Base-Backbone interact. energy: -1.707 local terms energy: -864.169041 where: bonds (distance) C4'-P energy: -148.287 bonds (distance) P-C4' energy: -179.002 flat angles C4'-P-C4' energy: -197.080 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -221.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2585.840465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.840465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.840465 (E_RNA) where: Base-Base interactions energy: -1730.291 where: short stacking energy: -762.495 Base-Backbone interact. energy: -4.756 local terms energy: -850.793591 where: bonds (distance) C4'-P energy: -150.227 bonds (distance) P-C4' energy: -167.640 flat angles C4'-P-C4' energy: -188.698 flat angles P-C4'-P energy: -117.774 tors. eta vs tors. theta energy: -226.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2198.353723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.353723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.353723 (E_RNA) where: Base-Base interactions energy: -1484.420 where: short stacking energy: -633.461 Base-Backbone interact. energy: -1.833 local terms energy: -712.100528 where: bonds (distance) C4'-P energy: -158.425 bonds (distance) P-C4' energy: -193.948 flat angles C4'-P-C4' energy: -141.934 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -132.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1840.220497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.220497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.220497 (E_RNA) where: Base-Base interactions energy: -1136.972 where: short stacking energy: -546.824 Base-Backbone interact. energy: -1.095 local terms energy: -702.152844 where: bonds (distance) C4'-P energy: -177.293 bonds (distance) P-C4' energy: -167.363 flat angles C4'-P-C4' energy: -161.844 flat angles P-C4'-P energy: -94.516 tors. eta vs tors. theta energy: -101.137 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: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1582.325795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.325795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.325795 (E_RNA) where: Base-Base interactions energy: -961.410 where: short stacking energy: -470.533 Base-Backbone interact. energy: -4.709 local terms energy: -616.207291 where: bonds (distance) C4'-P energy: -142.287 bonds (distance) P-C4' energy: -161.325 flat angles C4'-P-C4' energy: -139.687 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -74.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1263.201570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.201570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.201570 (E_RNA) where: Base-Base interactions energy: -691.136 where: short stacking energy: -355.232 Base-Backbone interact. energy: 3.335 local terms energy: -575.399977 where: bonds (distance) C4'-P energy: -149.962 bonds (distance) P-C4' energy: -152.057 flat angles C4'-P-C4' energy: -139.346 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -22.601 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: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -766.975253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.975253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.975253 (E_RNA) where: Base-Base interactions energy: -334.895 where: short stacking energy: -235.251 Base-Backbone interact. energy: 1.444 local terms energy: -433.524433 where: bonds (distance) C4'-P energy: -139.439 bonds (distance) P-C4' energy: -161.067 flat angles C4'-P-C4' energy: -110.249 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: 36.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3200.842738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.842738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.842738 (E_RNA) where: Base-Base interactions energy: -2209.177 where: short stacking energy: -992.787 Base-Backbone interact. energy: -6.215 local terms energy: -985.450781 where: bonds (distance) C4'-P energy: -169.435 bonds (distance) P-C4' energy: -189.875 flat angles C4'-P-C4' energy: -221.745 flat angles P-C4'-P energy: -132.047 tors. eta vs tors. theta energy: -272.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -3066.450461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.450461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.450461 (E_RNA) where: Base-Base interactions energy: -2095.716 where: short stacking energy: -923.713 Base-Backbone interact. energy: -5.766 local terms energy: -964.968446 where: bonds (distance) C4'-P energy: -157.461 bonds (distance) P-C4' energy: -190.839 flat angles C4'-P-C4' energy: -194.518 flat angles P-C4'-P energy: -151.597 tors. eta vs tors. theta energy: -270.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2921.263541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.263541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.263541 (E_RNA) where: Base-Base interactions energy: -2041.079 where: short stacking energy: -879.241 Base-Backbone interact. energy: -4.835 local terms energy: -875.349886 where: bonds (distance) C4'-P energy: -158.924 bonds (distance) P-C4' energy: -170.734 flat angles C4'-P-C4' energy: -185.813 flat angles P-C4'-P energy: -137.258 tors. eta vs tors. theta energy: -222.621 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: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2747.871829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.871829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.871829 (E_RNA) where: Base-Base interactions energy: -1881.012 where: short stacking energy: -827.049 Base-Backbone interact. energy: -0.795 local terms energy: -866.064165 where: bonds (distance) C4'-P energy: -160.849 bonds (distance) P-C4' energy: -159.451 flat angles C4'-P-C4' energy: -208.427 flat angles P-C4'-P energy: -117.699 tors. eta vs tors. theta energy: -219.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2540.257282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.257282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.257282 (E_RNA) where: Base-Base interactions energy: -1689.782 where: short stacking energy: -760.964 Base-Backbone interact. energy: -3.675 local terms energy: -846.800136 where: bonds (distance) C4'-P energy: -176.355 bonds (distance) P-C4' energy: -153.007 flat angles C4'-P-C4' energy: -191.363 flat angles P-C4'-P energy: -113.431 tors. eta vs tors. theta energy: -212.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2217.406840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.406840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.406840 (E_RNA) where: Base-Base interactions energy: -1517.660 where: short stacking energy: -651.954 Base-Backbone interact. energy: -1.320 local terms energy: -698.427017 where: bonds (distance) C4'-P energy: -145.575 bonds (distance) P-C4' energy: -138.880 flat angles C4'-P-C4' energy: -165.126 flat angles P-C4'-P energy: -101.610 tors. eta vs tors. theta energy: -147.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1915.250136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.250136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.250136 (E_RNA) where: Base-Base interactions energy: -1219.665 where: short stacking energy: -564.494 Base-Backbone interact. energy: -2.013 local terms energy: -693.572267 where: bonds (distance) C4'-P energy: -160.409 bonds (distance) P-C4' energy: -161.834 flat angles C4'-P-C4' energy: -152.773 flat angles P-C4'-P energy: -97.235 tors. eta vs tors. theta energy: -121.322 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: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1591.474790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.474790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.474790 (E_RNA) where: Base-Base interactions energy: -975.903 where: short stacking energy: -473.611 Base-Backbone interact. energy: 1.473 local terms energy: -617.044509 where: bonds (distance) C4'-P energy: -133.779 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -158.137 flat angles P-C4'-P energy: -92.068 tors. eta vs tors. theta energy: -73.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1201.580200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.580200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.580200 (E_RNA) where: Base-Base interactions energy: -667.384 where: short stacking energy: -357.452 Base-Backbone interact. energy: -4.623 local terms energy: -529.573114 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -158.077 flat angles C4'-P-C4' energy: -128.868 flat angles P-C4'-P energy: -72.459 tors. eta vs tors. theta energy: -20.504 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: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -800.169714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.169714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.169714 (E_RNA) where: Base-Base interactions energy: -335.917 where: short stacking energy: -250.151 Base-Backbone interact. energy: 0.820 local terms energy: -465.072647 where: bonds (distance) C4'-P energy: -138.767 bonds (distance) P-C4' energy: -159.089 flat angles C4'-P-C4' energy: -113.016 flat angles P-C4'-P energy: -79.106 tors. eta vs tors. theta energy: 24.906 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: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3214.371509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.371509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.371509 (E_RNA) where: Base-Base interactions energy: -2227.009 where: short stacking energy: -969.894 Base-Backbone interact. energy: -4.041 local terms energy: -983.320911 where: bonds (distance) C4'-P energy: -182.950 bonds (distance) P-C4' energy: -178.796 flat angles C4'-P-C4' energy: -204.536 flat angles P-C4'-P energy: -140.696 tors. eta vs tors. theta energy: -276.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -3110.315501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.315501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.315501 (E_RNA) where: Base-Base interactions energy: -2130.451 where: short stacking energy: -929.586 Base-Backbone interact. energy: -6.913 local terms energy: -972.950869 where: bonds (distance) C4'-P energy: -169.810 bonds (distance) P-C4' energy: -178.749 flat angles C4'-P-C4' energy: -212.077 flat angles P-C4'-P energy: -140.115 tors. eta vs tors. theta energy: -272.200 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: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2974.368785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.368785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.368785 (E_RNA) where: Base-Base interactions energy: -2061.903 where: short stacking energy: -893.469 Base-Backbone interact. energy: -0.633 local terms energy: -911.832404 where: bonds (distance) C4'-P energy: -165.772 bonds (distance) P-C4' energy: -162.826 flat angles C4'-P-C4' energy: -189.919 flat angles P-C4'-P energy: -150.636 tors. eta vs tors. theta energy: -242.680 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: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2671.832963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.832963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.832963 (E_RNA) where: Base-Base interactions energy: -1793.769 where: short stacking energy: -769.198 Base-Backbone interact. energy: -3.168 local terms energy: -874.896620 where: bonds (distance) C4'-P energy: -173.341 bonds (distance) P-C4' energy: -158.707 flat angles C4'-P-C4' energy: -189.730 flat angles P-C4'-P energy: -132.011 tors. eta vs tors. theta energy: -221.107 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: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2602.230632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.230632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.230632 (E_RNA) where: Base-Base interactions energy: -1779.104 where: short stacking energy: -789.355 Base-Backbone interact. energy: -1.571 local terms energy: -821.556365 where: bonds (distance) C4'-P energy: -157.240 bonds (distance) P-C4' energy: -149.503 flat angles C4'-P-C4' energy: -187.657 flat angles P-C4'-P energy: -115.040 tors. eta vs tors. theta energy: -212.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2232.405856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.405856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.405856 (E_RNA) where: Base-Base interactions energy: -1473.467 where: short stacking energy: -649.656 Base-Backbone interact. energy: -4.244 local terms energy: -754.694766 where: bonds (distance) C4'-P energy: -151.645 bonds (distance) P-C4' energy: -171.549 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -117.953 tors. eta vs tors. theta energy: -157.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1891.829208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.829208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.829208 (E_RNA) where: Base-Base interactions energy: -1197.639 where: short stacking energy: -543.706 Base-Backbone interact. energy: -4.011 local terms energy: -690.179278 where: bonds (distance) C4'-P energy: -162.008 bonds (distance) P-C4' energy: -153.100 flat angles C4'-P-C4' energy: -168.965 flat angles P-C4'-P energy: -100.314 tors. eta vs tors. theta energy: -105.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1587.980538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.980538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.980538 (E_RNA) where: Base-Base interactions energy: -997.738 where: short stacking energy: -472.502 Base-Backbone interact. energy: 3.716 local terms energy: -593.958342 where: bonds (distance) C4'-P energy: -130.357 bonds (distance) P-C4' energy: -155.164 flat angles C4'-P-C4' energy: -162.659 flat angles P-C4'-P energy: -83.631 tors. eta vs tors. theta energy: -62.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1191.848824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.848824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.848824 (E_RNA) where: Base-Base interactions energy: -709.633 where: short stacking energy: -328.410 Base-Backbone interact. energy: 1.054 local terms energy: -483.269294 where: bonds (distance) C4'-P energy: -132.096 bonds (distance) P-C4' energy: -143.773 flat angles C4'-P-C4' energy: -111.849 flat angles P-C4'-P energy: -70.920 tors. eta vs tors. theta energy: -24.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -820.027214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.027214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.027214 (E_RNA) where: Base-Base interactions energy: -346.515 where: short stacking energy: -226.866 Base-Backbone interact. energy: -3.321 local terms energy: -470.190866 where: bonds (distance) C4'-P energy: -151.530 bonds (distance) P-C4' energy: -134.977 flat angles C4'-P-C4' energy: -133.073 flat angles P-C4'-P energy: -79.459 tors. eta vs tors. theta energy: 28.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3202.371715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.371715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.371715 (E_RNA) where: Base-Base interactions energy: -2171.455 where: short stacking energy: -947.607 Base-Backbone interact. energy: -4.665 local terms energy: -1026.251338 where: bonds (distance) C4'-P energy: -187.541 bonds (distance) P-C4' energy: -199.980 flat angles C4'-P-C4' energy: -215.223 flat angles P-C4'-P energy: -143.180 tors. eta vs tors. theta energy: -280.328 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: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -3108.335956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.335956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.335956 (E_RNA) where: Base-Base interactions energy: -2154.722 where: short stacking energy: -967.205 Base-Backbone interact. energy: -4.654 local terms energy: -948.959237 where: bonds (distance) C4'-P energy: -161.609 bonds (distance) P-C4' energy: -172.613 flat angles C4'-P-C4' energy: -215.937 flat angles P-C4'-P energy: -128.623 tors. eta vs tors. theta energy: -270.177 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: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2932.090301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.090301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.090301 (E_RNA) where: Base-Base interactions energy: -2026.561 where: short stacking energy: -863.289 Base-Backbone interact. energy: -3.064 local terms energy: -902.464672 where: bonds (distance) C4'-P energy: -170.813 bonds (distance) P-C4' energy: -183.337 flat angles C4'-P-C4' energy: -189.406 flat angles P-C4'-P energy: -121.004 tors. eta vs tors. theta energy: -237.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2664.386540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.386540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.386540 (E_RNA) where: Base-Base interactions energy: -1816.293 where: short stacking energy: -804.731 Base-Backbone interact. energy: 0.494 local terms energy: -848.587884 where: bonds (distance) C4'-P energy: -149.096 bonds (distance) P-C4' energy: -174.237 flat angles C4'-P-C4' energy: -188.257 flat angles P-C4'-P energy: -124.706 tors. eta vs tors. theta energy: -212.291 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: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2555.521652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.521652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.521652 (E_RNA) where: Base-Base interactions energy: -1716.477 where: short stacking energy: -757.302 Base-Backbone interact. energy: -3.235 local terms energy: -835.809502 where: bonds (distance) C4'-P energy: -169.591 bonds (distance) P-C4' energy: -151.563 flat angles C4'-P-C4' energy: -184.293 flat angles P-C4'-P energy: -120.374 tors. eta vs tors. theta energy: -209.989 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: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2245.585529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.585529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.585529 (E_RNA) where: Base-Base interactions energy: -1501.992 where: short stacking energy: -652.558 Base-Backbone interact. energy: -2.614 local terms energy: -740.979321 where: bonds (distance) C4'-P energy: -160.372 bonds (distance) P-C4' energy: -160.688 flat angles C4'-P-C4' energy: -166.919 flat angles P-C4'-P energy: -102.373 tors. eta vs tors. theta energy: -150.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1950.781054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.781054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.781054 (E_RNA) where: Base-Base interactions energy: -1236.585 where: short stacking energy: -572.676 Base-Backbone interact. energy: -6.175 local terms energy: -708.021055 where: bonds (distance) C4'-P energy: -158.769 bonds (distance) P-C4' energy: -162.104 flat angles C4'-P-C4' energy: -162.104 flat angles P-C4'-P energy: -103.707 tors. eta vs tors. theta energy: -121.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1636.086665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.086665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.086665 (E_RNA) where: Base-Base interactions energy: -987.964 where: short stacking energy: -480.513 Base-Backbone interact. energy: -2.525 local terms energy: -645.598087 where: bonds (distance) C4'-P energy: -143.578 bonds (distance) P-C4' energy: -163.554 flat angles C4'-P-C4' energy: -157.214 flat angles P-C4'-P energy: -100.383 tors. eta vs tors. theta energy: -80.869 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: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1233.895819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.895819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.895819 (E_RNA) where: Base-Base interactions energy: -682.373 where: short stacking energy: -336.883 Base-Backbone interact. energy: -1.704 local terms energy: -549.818692 where: bonds (distance) C4'-P energy: -149.532 bonds (distance) P-C4' energy: -160.645 flat angles C4'-P-C4' energy: -159.788 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -26.488 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: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -888.190476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.190476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.190476 (E_RNA) where: Base-Base interactions energy: -402.604 where: short stacking energy: -247.687 Base-Backbone interact. energy: -1.801 local terms energy: -483.785358 where: bonds (distance) C4'-P energy: -141.043 bonds (distance) P-C4' energy: -147.992 flat angles C4'-P-C4' energy: -129.964 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: 15.377 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3262.078714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.078714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.078714 (E_RNA) where: Base-Base interactions energy: -2249.359 where: short stacking energy: -961.321 Base-Backbone interact. energy: -7.230 local terms energy: -1005.489127 where: bonds (distance) C4'-P energy: -194.912 bonds (distance) P-C4' energy: -173.942 flat angles C4'-P-C4' energy: -208.126 flat angles P-C4'-P energy: -151.250 tors. eta vs tors. theta energy: -277.259 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: 221 Temperature: 0.950000 Total energy: -3073.542124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.542124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.542124 (E_RNA) where: Base-Base interactions energy: -2087.376 where: short stacking energy: -900.934 Base-Backbone interact. energy: -7.629 local terms energy: -978.537114 where: bonds (distance) C4'-P energy: -169.856 bonds (distance) P-C4' energy: -193.005 flat angles C4'-P-C4' energy: -207.283 flat angles P-C4'-P energy: -141.822 tors. eta vs tors. theta energy: -266.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2906.301060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.301060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.301060 (E_RNA) where: Base-Base interactions energy: -1997.280 where: short stacking energy: -841.917 Base-Backbone interact. energy: -1.529 local terms energy: -907.492027 where: bonds (distance) C4'-P energy: -156.896 bonds (distance) P-C4' energy: -191.348 flat angles C4'-P-C4' energy: -187.459 flat angles P-C4'-P energy: -137.388 tors. eta vs tors. theta energy: -234.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2743.597701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.597701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.597701 (E_RNA) where: Base-Base interactions energy: -1881.508 where: short stacking energy: -854.428 Base-Backbone interact. energy: -3.320 local terms energy: -858.769705 where: bonds (distance) C4'-P energy: -155.601 bonds (distance) P-C4' energy: -172.743 flat angles C4'-P-C4' energy: -201.067 flat angles P-C4'-P energy: -112.173 tors. eta vs tors. theta energy: -217.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2588.823111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.823111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.823111 (E_RNA) where: Base-Base interactions energy: -1719.680 where: short stacking energy: -795.347 Base-Backbone interact. energy: -2.918 local terms energy: -866.224959 where: bonds (distance) C4'-P energy: -156.022 bonds (distance) P-C4' energy: -186.300 flat angles C4'-P-C4' energy: -191.771 flat angles P-C4'-P energy: -122.355 tors. eta vs tors. theta energy: -209.777 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: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2237.527133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.527133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.527133 (E_RNA) where: Base-Base interactions energy: -1487.664 where: short stacking energy: -695.270 Base-Backbone interact. energy: -1.443 local terms energy: -748.419411 where: bonds (distance) C4'-P energy: -149.185 bonds (distance) P-C4' energy: -152.907 flat angles C4'-P-C4' energy: -170.306 flat angles P-C4'-P energy: -109.915 tors. eta vs tors. theta energy: -166.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1833.180481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.180481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.180481 (E_RNA) where: Base-Base interactions energy: -1187.119 where: short stacking energy: -574.447 Base-Backbone interact. energy: 6.308 local terms energy: -652.369439 where: bonds (distance) C4'-P energy: -129.126 bonds (distance) P-C4' energy: -161.501 flat angles C4'-P-C4' energy: -136.113 flat angles P-C4'-P energy: -101.543 tors. eta vs tors. theta energy: -124.086 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: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1734.770372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.770372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.770372 (E_RNA) where: Base-Base interactions energy: -1107.936 where: short stacking energy: -534.721 Base-Backbone interact. energy: 3.106 local terms energy: -629.940624 where: bonds (distance) C4'-P energy: -150.904 bonds (distance) P-C4' energy: -130.643 flat angles C4'-P-C4' energy: -170.461 flat angles P-C4'-P energy: -75.659 tors. eta vs tors. theta energy: -102.273 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: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1227.183102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.183102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.183102 (E_RNA) where: Base-Base interactions energy: -684.502 where: short stacking energy: -350.690 Base-Backbone interact. energy: -5.793 local terms energy: -536.888210 where: bonds (distance) C4'-P energy: -114.604 bonds (distance) P-C4' energy: -151.299 flat angles C4'-P-C4' energy: -135.977 flat angles P-C4'-P energy: -87.028 tors. eta vs tors. theta energy: -47.980 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: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -911.971789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.971789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.971789 (E_RNA) where: Base-Base interactions energy: -396.431 where: short stacking energy: -262.994 Base-Backbone interact. energy: 3.473 local terms energy: -519.014297 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -173.628 flat angles C4'-P-C4' energy: -117.628 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: 4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3241.753493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.753493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.753493 (E_RNA) where: Base-Base interactions energy: -2223.905 where: short stacking energy: -969.314 Base-Backbone interact. energy: -6.499 local terms energy: -1011.349546 where: bonds (distance) C4'-P energy: -160.138 bonds (distance) P-C4' energy: -204.085 flat angles C4'-P-C4' energy: -209.959 flat angles P-C4'-P energy: -151.612 tors. eta vs tors. theta energy: -285.556 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: 2, replica: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -3085.548658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.548658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.548658 (E_RNA) where: Base-Base interactions energy: -2097.530 where: short stacking energy: -893.011 Base-Backbone interact. energy: -0.893 local terms energy: -987.125850 where: bonds (distance) C4'-P energy: -174.258 bonds (distance) P-C4' energy: -185.620 flat angles C4'-P-C4' energy: -218.686 flat angles P-C4'-P energy: -144.820 tors. eta vs tors. theta energy: -263.742 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: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2896.522074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.522074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.522074 (E_RNA) where: Base-Base interactions energy: -2007.813 where: short stacking energy: -859.643 Base-Backbone interact. energy: -1.989 local terms energy: -886.720190 where: bonds (distance) C4'-P energy: -150.967 bonds (distance) P-C4' energy: -187.849 flat angles C4'-P-C4' energy: -196.367 flat angles P-C4'-P energy: -114.390 tors. eta vs tors. theta energy: -237.147 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: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2686.337710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.337710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.337710 (E_RNA) where: Base-Base interactions energy: -1799.014 where: short stacking energy: -806.024 Base-Backbone interact. energy: -6.982 local terms energy: -880.342008 where: bonds (distance) C4'-P energy: -150.627 bonds (distance) P-C4' energy: -180.462 flat angles C4'-P-C4' energy: -197.491 flat angles P-C4'-P energy: -131.074 tors. eta vs tors. theta energy: -220.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2526.456095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.456095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.456095 (E_RNA) where: Base-Base interactions energy: -1694.350 where: short stacking energy: -749.366 Base-Backbone interact. energy: -2.514 local terms energy: -829.591254 where: bonds (distance) C4'-P energy: -173.375 bonds (distance) P-C4' energy: -154.156 flat angles C4'-P-C4' energy: -195.622 flat angles P-C4'-P energy: -102.806 tors. eta vs tors. theta energy: -203.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2143.643827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.643827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.643827 (E_RNA) where: Base-Base interactions energy: -1421.465 where: short stacking energy: -657.074 Base-Backbone interact. energy: -6.515 local terms energy: -715.664536 where: bonds (distance) C4'-P energy: -148.010 bonds (distance) P-C4' energy: -169.795 flat angles C4'-P-C4' energy: -150.171 flat angles P-C4'-P energy: -101.627 tors. eta vs tors. theta energy: -146.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1889.991250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.991250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.991250 (E_RNA) where: Base-Base interactions energy: -1220.334 where: short stacking energy: -596.271 Base-Backbone interact. energy: -2.618 local terms energy: -667.038700 where: bonds (distance) C4'-P energy: -141.975 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -169.290 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -123.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1666.250941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.250941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.250941 (E_RNA) where: Base-Base interactions energy: -1040.065 where: short stacking energy: -459.862 Base-Backbone interact. energy: -1.145 local terms energy: -625.040766 where: bonds (distance) C4'-P energy: -144.334 bonds (distance) P-C4' energy: -157.729 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -68.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1228.960505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.960505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.960505 (E_RNA) where: Base-Base interactions energy: -701.587 where: short stacking energy: -349.786 Base-Backbone interact. energy: -4.254 local terms energy: -523.119553 where: bonds (distance) C4'-P energy: -137.258 bonds (distance) P-C4' energy: -146.152 flat angles C4'-P-C4' energy: -132.170 flat angles P-C4'-P energy: -67.330 tors. eta vs tors. theta energy: -40.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -922.813977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.813977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.813977 (E_RNA) where: Base-Base interactions energy: -468.389 where: short stacking energy: -254.953 Base-Backbone interact. energy: 2.927 local terms energy: -457.352076 where: bonds (distance) C4'-P energy: -122.137 bonds (distance) P-C4' energy: -147.109 flat angles C4'-P-C4' energy: -129.826 flat angles P-C4'-P energy: -86.961 tors. eta vs tors. theta energy: 28.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3211.087266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.087266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.087266 (E_RNA) where: Base-Base interactions energy: -2204.328 where: short stacking energy: -968.419 Base-Backbone interact. energy: -6.821 local terms energy: -999.937665 where: bonds (distance) C4'-P energy: -181.647 bonds (distance) P-C4' energy: -187.314 flat angles C4'-P-C4' energy: -198.541 flat angles P-C4'-P energy: -143.992 tors. eta vs tors. theta energy: -288.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -3068.473430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.473430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.473430 (E_RNA) where: Base-Base interactions energy: -2109.215 where: short stacking energy: -901.272 Base-Backbone interact. energy: -4.472 local terms energy: -954.786892 where: bonds (distance) C4'-P energy: -166.444 bonds (distance) P-C4' energy: -167.269 flat angles C4'-P-C4' energy: -212.117 flat angles P-C4'-P energy: -146.983 tors. eta vs tors. theta energy: -261.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2915.930738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.930738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.930738 (E_RNA) where: Base-Base interactions energy: -1979.816 where: short stacking energy: -872.375 Base-Backbone interact. energy: -7.856 local terms energy: -928.258814 where: bonds (distance) C4'-P energy: -168.559 bonds (distance) P-C4' energy: -172.206 flat angles C4'-P-C4' energy: -201.437 flat angles P-C4'-P energy: -131.345 tors. eta vs tors. theta energy: -254.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2667.029774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.029774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.029774 (E_RNA) where: Base-Base interactions energy: -1829.818 where: short stacking energy: -812.282 Base-Backbone interact. energy: -4.016 local terms energy: -833.195239 where: bonds (distance) C4'-P energy: -156.959 bonds (distance) P-C4' energy: -172.511 flat angles C4'-P-C4' energy: -181.954 flat angles P-C4'-P energy: -107.476 tors. eta vs tors. theta energy: -214.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2434.426105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.426105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.426105 (E_RNA) where: Base-Base interactions energy: -1613.472 where: short stacking energy: -708.140 Base-Backbone interact. energy: 5.727 local terms energy: -826.681302 where: bonds (distance) C4'-P energy: -164.350 bonds (distance) P-C4' energy: -190.823 flat angles C4'-P-C4' energy: -179.751 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -187.112 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: 223 Temperature: 1.150000 Total energy: -2158.118481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.118481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.118481 (E_RNA) where: Base-Base interactions energy: -1390.214 where: short stacking energy: -656.165 Base-Backbone interact. energy: 0.554 local terms energy: -768.458646 where: bonds (distance) C4'-P energy: -157.984 bonds (distance) P-C4' energy: -163.006 flat angles C4'-P-C4' energy: -181.348 flat angles P-C4'-P energy: -108.387 tors. eta vs tors. theta energy: -157.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1892.922696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.922696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.922696 (E_RNA) where: Base-Base interactions energy: -1228.602 where: short stacking energy: -580.898 Base-Backbone interact. energy: -1.884 local terms energy: -662.436716 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -163.869 flat angles C4'-P-C4' energy: -154.321 flat angles P-C4'-P energy: -89.600 tors. eta vs tors. theta energy: -133.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1626.914994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.914994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.914994 (E_RNA) where: Base-Base interactions energy: -1007.931 where: short stacking energy: -502.304 Base-Backbone interact. energy: 1.688 local terms energy: -620.671685 where: bonds (distance) C4'-P energy: -142.378 bonds (distance) P-C4' energy: -146.543 flat angles C4'-P-C4' energy: -159.466 flat angles P-C4'-P energy: -90.296 tors. eta vs tors. theta energy: -81.989 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: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1288.249462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.249462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.249462 (E_RNA) where: Base-Base interactions energy: -745.916 where: short stacking energy: -389.299 Base-Backbone interact. energy: -1.050 local terms energy: -541.283269 where: bonds (distance) C4'-P energy: -132.944 bonds (distance) P-C4' energy: -163.972 flat angles C4'-P-C4' energy: -129.451 flat angles P-C4'-P energy: -81.860 tors. eta vs tors. theta energy: -33.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -905.004130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.004130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.004130 (E_RNA) where: Base-Base interactions energy: -438.306 where: short stacking energy: -280.773 Base-Backbone interact. energy: -0.774 local terms energy: -465.924043 where: bonds (distance) C4'-P energy: -138.598 bonds (distance) P-C4' energy: -154.432 flat angles C4'-P-C4' energy: -131.584 flat angles P-C4'-P energy: -73.442 tors. eta vs tors. theta energy: 32.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3229.803799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.803799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.803799 (E_RNA) where: Base-Base interactions energy: -2204.959 where: short stacking energy: -954.817 Base-Backbone interact. energy: -8.190 local terms energy: -1016.654767 where: bonds (distance) C4'-P energy: -194.945 bonds (distance) P-C4' energy: -171.411 flat angles C4'-P-C4' energy: -213.123 flat angles P-C4'-P energy: -148.493 tors. eta vs tors. theta energy: -288.684 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: 224 Temperature: 0.950000 Total energy: -3084.813574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.813574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.813574 (E_RNA) where: Base-Base interactions energy: -2124.625 where: short stacking energy: -899.380 Base-Backbone interact. energy: -4.933 local terms energy: -955.255662 where: bonds (distance) C4'-P energy: -178.648 bonds (distance) P-C4' energy: -183.499 flat angles C4'-P-C4' energy: -198.985 flat angles P-C4'-P energy: -137.663 tors. eta vs tors. theta energy: -256.461 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: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2860.025313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.025313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.025313 (E_RNA) where: Base-Base interactions energy: -1957.252 where: short stacking energy: -892.030 Base-Backbone interact. energy: -3.663 local terms energy: -899.109995 where: bonds (distance) C4'-P energy: -175.163 bonds (distance) P-C4' energy: -170.598 flat angles C4'-P-C4' energy: -196.874 flat angles P-C4'-P energy: -119.809 tors. eta vs tors. theta energy: -236.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2717.698017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.698017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.698017 (E_RNA) where: Base-Base interactions energy: -1840.423 where: short stacking energy: -819.983 Base-Backbone interact. energy: -1.248 local terms energy: -876.026102 where: bonds (distance) C4'-P energy: -152.945 bonds (distance) P-C4' energy: -179.811 flat angles C4'-P-C4' energy: -187.231 flat angles P-C4'-P energy: -137.585 tors. eta vs tors. theta energy: -218.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2538.816477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.816477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.816477 (E_RNA) where: Base-Base interactions energy: -1686.533 where: short stacking energy: -748.752 Base-Backbone interact. energy: -1.766 local terms energy: -850.517881 where: bonds (distance) C4'-P energy: -148.997 bonds (distance) P-C4' energy: -168.821 flat angles C4'-P-C4' energy: -194.197 flat angles P-C4'-P energy: -120.661 tors. eta vs tors. theta energy: -217.842 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: 224 Temperature: 1.150000 Total energy: -2259.881158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.881158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.881158 (E_RNA) where: Base-Base interactions energy: -1467.986 where: short stacking energy: -664.653 Base-Backbone interact. energy: -8.410 local terms energy: -783.484495 where: bonds (distance) C4'-P energy: -151.808 bonds (distance) P-C4' energy: -178.966 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -109.431 tors. eta vs tors. theta energy: -164.277 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: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1853.584284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.584284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.584284 (E_RNA) where: Base-Base interactions energy: -1207.798 where: short stacking energy: -561.417 Base-Backbone interact. energy: -0.589 local terms energy: -645.197175 where: bonds (distance) C4'-P energy: -152.513 bonds (distance) P-C4' energy: -132.943 flat angles C4'-P-C4' energy: -157.685 flat angles P-C4'-P energy: -94.293 tors. eta vs tors. theta energy: -107.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1714.187422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.187422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.187422 (E_RNA) where: Base-Base interactions energy: -1093.056 where: short stacking energy: -520.561 Base-Backbone interact. energy: -0.628 local terms energy: -620.503627 where: bonds (distance) C4'-P energy: -116.554 bonds (distance) P-C4' energy: -159.955 flat angles C4'-P-C4' energy: -164.505 flat angles P-C4'-P energy: -85.527 tors. eta vs tors. theta energy: -93.962 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: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1354.451665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.451665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.451665 (E_RNA) where: Base-Base interactions energy: -764.437 where: short stacking energy: -350.295 Base-Backbone interact. energy: -4.786 local terms energy: -585.228378 where: bonds (distance) C4'-P energy: -157.283 bonds (distance) P-C4' energy: -166.437 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -89.323 tors. eta vs tors. theta energy: -29.870 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: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -861.978097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.978097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.978097 (E_RNA) where: Base-Base interactions energy: -405.544 where: short stacking energy: -264.886 Base-Backbone interact. energy: 0.922 local terms energy: -457.356676 where: bonds (distance) C4'-P energy: -129.906 bonds (distance) P-C4' energy: -139.063 flat angles C4'-P-C4' energy: -128.433 flat angles P-C4'-P energy: -81.092 tors. eta vs tors. theta energy: 21.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3227.139492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.139492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.139492 (E_RNA) where: Base-Base interactions energy: -2228.667 where: short stacking energy: -981.672 Base-Backbone interact. energy: -6.824 local terms energy: -991.648478 where: bonds (distance) C4'-P energy: -187.275 bonds (distance) P-C4' energy: -181.387 flat angles C4'-P-C4' energy: -195.025 flat angles P-C4'-P energy: -139.178 tors. eta vs tors. theta energy: -288.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -3079.744077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.744077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.744077 (E_RNA) where: Base-Base interactions energy: -2088.849 where: short stacking energy: -900.996 Base-Backbone interact. energy: -5.058 local terms energy: -985.836959 where: bonds (distance) C4'-P energy: -180.273 bonds (distance) P-C4' energy: -185.965 flat angles C4'-P-C4' energy: -208.720 flat angles P-C4'-P energy: -148.001 tors. eta vs tors. theta energy: -262.878 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: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2869.124853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.124853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.124853 (E_RNA) where: Base-Base interactions energy: -1950.102 where: short stacking energy: -886.369 Base-Backbone interact. energy: -7.675 local terms energy: -911.347191 where: bonds (distance) C4'-P energy: -193.431 bonds (distance) P-C4' energy: -172.369 flat angles C4'-P-C4' energy: -190.943 flat angles P-C4'-P energy: -122.484 tors. eta vs tors. theta energy: -232.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2666.762913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.762913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.762913 (E_RNA) where: Base-Base interactions energy: -1808.100 where: short stacking energy: -792.910 Base-Backbone interact. energy: 0.037 local terms energy: -858.699779 where: bonds (distance) C4'-P energy: -161.417 bonds (distance) P-C4' energy: -173.538 flat angles C4'-P-C4' energy: -184.131 flat angles P-C4'-P energy: -122.300 tors. eta vs tors. theta energy: -217.314 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: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2548.156196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.156196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.156196 (E_RNA) where: Base-Base interactions energy: -1720.655 where: short stacking energy: -764.560 Base-Backbone interact. energy: 0.683 local terms energy: -828.183753 where: bonds (distance) C4'-P energy: -179.546 bonds (distance) P-C4' energy: -166.136 flat angles C4'-P-C4' energy: -163.396 flat angles P-C4'-P energy: -107.308 tors. eta vs tors. theta energy: -211.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2201.940451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.940451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.940451 (E_RNA) where: Base-Base interactions energy: -1447.070 where: short stacking energy: -667.148 Base-Backbone interact. energy: 1.218 local terms energy: -756.088397 where: bonds (distance) C4'-P energy: -153.611 bonds (distance) P-C4' energy: -151.279 flat angles C4'-P-C4' energy: -171.288 flat angles P-C4'-P energy: -116.432 tors. eta vs tors. theta energy: -163.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1903.048358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.048358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.048358 (E_RNA) where: Base-Base interactions energy: -1230.026 where: short stacking energy: -558.942 Base-Backbone interact. energy: 0.246 local terms energy: -673.267627 where: bonds (distance) C4'-P energy: -156.909 bonds (distance) P-C4' energy: -139.188 flat angles C4'-P-C4' energy: -143.842 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -140.625 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: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1665.179573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.179573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.179573 (E_RNA) where: Base-Base interactions energy: -1043.628 where: short stacking energy: -476.920 Base-Backbone interact. energy: 3.454 local terms energy: -625.005363 where: bonds (distance) C4'-P energy: -152.772 bonds (distance) P-C4' energy: -147.860 flat angles C4'-P-C4' energy: -153.592 flat angles P-C4'-P energy: -79.820 tors. eta vs tors. theta energy: -90.961 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: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1284.128984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.128984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.128984 (E_RNA) where: Base-Base interactions energy: -765.584 where: short stacking energy: -365.101 Base-Backbone interact. energy: -1.135 local terms energy: -517.410550 where: bonds (distance) C4'-P energy: -123.091 bonds (distance) P-C4' energy: -153.273 flat angles C4'-P-C4' energy: -137.143 flat angles P-C4'-P energy: -73.998 tors. eta vs tors. theta energy: -29.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -914.392564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.392564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.392564 (E_RNA) where: Base-Base interactions energy: -438.733 where: short stacking energy: -270.102 Base-Backbone interact. energy: -0.862 local terms energy: -474.797226 where: bonds (distance) C4'-P energy: -145.700 bonds (distance) P-C4' energy: -135.665 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -88.996 tors. eta vs tors. theta energy: 4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3226.991149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.991149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.991149 (E_RNA) where: Base-Base interactions energy: -2223.831 where: short stacking energy: -942.511 Base-Backbone interact. energy: -1.975 local terms energy: -1001.184378 where: bonds (distance) C4'-P energy: -184.154 bonds (distance) P-C4' energy: -189.114 flat angles C4'-P-C4' energy: -215.823 flat angles P-C4'-P energy: -142.710 tors. eta vs tors. theta energy: -269.384 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: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -3162.643491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.643491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.643491 (E_RNA) where: Base-Base interactions energy: -2168.908 where: short stacking energy: -970.442 Base-Backbone interact. energy: -5.709 local terms energy: -988.026738 where: bonds (distance) C4'-P energy: -163.384 bonds (distance) P-C4' energy: -190.200 flat angles C4'-P-C4' energy: -200.339 flat angles P-C4'-P energy: -147.563 tors. eta vs tors. theta energy: -286.542 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: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2916.084592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.084592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.084592 (E_RNA) where: Base-Base interactions energy: -2012.429 where: short stacking energy: -853.923 Base-Backbone interact. energy: -5.010 local terms energy: -898.645579 where: bonds (distance) C4'-P energy: -169.818 bonds (distance) P-C4' energy: -164.465 flat angles C4'-P-C4' energy: -206.555 flat angles P-C4'-P energy: -126.669 tors. eta vs tors. theta energy: -231.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2655.454605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.454605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.454605 (E_RNA) where: Base-Base interactions energy: -1803.892 where: short stacking energy: -786.737 Base-Backbone interact. energy: -3.163 local terms energy: -848.399731 where: bonds (distance) C4'-P energy: -151.021 bonds (distance) P-C4' energy: -169.254 flat angles C4'-P-C4' energy: -189.151 flat angles P-C4'-P energy: -110.772 tors. eta vs tors. theta energy: -228.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2615.634868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.634868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.634868 (E_RNA) where: Base-Base interactions energy: -1769.179 where: short stacking energy: -767.413 Base-Backbone interact. energy: -0.875 local terms energy: -845.581526 where: bonds (distance) C4'-P energy: -176.614 bonds (distance) P-C4' energy: -159.869 flat angles C4'-P-C4' energy: -174.023 flat angles P-C4'-P energy: -97.112 tors. eta vs tors. theta energy: -237.964 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: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2249.397952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.397952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.397952 (E_RNA) where: Base-Base interactions energy: -1469.515 where: short stacking energy: -650.015 Base-Backbone interact. energy: -6.249 local terms energy: -773.633062 where: bonds (distance) C4'-P energy: -146.366 bonds (distance) P-C4' energy: -162.111 flat angles C4'-P-C4' energy: -179.766 flat angles P-C4'-P energy: -115.217 tors. eta vs tors. theta energy: -170.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2014.627010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.627010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.627010 (E_RNA) where: Base-Base interactions energy: -1332.311 where: short stacking energy: -595.890 Base-Backbone interact. energy: -2.219 local terms energy: -680.096996 where: bonds (distance) C4'-P energy: -135.412 bonds (distance) P-C4' energy: -159.979 flat angles C4'-P-C4' energy: -160.841 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -135.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1676.254738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.254738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.254738 (E_RNA) where: Base-Base interactions energy: -1032.546 where: short stacking energy: -485.274 Base-Backbone interact. energy: -3.250 local terms energy: -640.459057 where: bonds (distance) C4'-P energy: -155.654 bonds (distance) P-C4' energy: -144.402 flat angles C4'-P-C4' energy: -145.331 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -102.878 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: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1254.112898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.112898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.112898 (E_RNA) where: Base-Base interactions energy: -741.618 where: short stacking energy: -354.402 Base-Backbone interact. energy: 1.244 local terms energy: -513.738526 where: bonds (distance) C4'-P energy: -131.855 bonds (distance) P-C4' energy: -147.385 flat angles C4'-P-C4' energy: -142.369 flat angles P-C4'-P energy: -68.074 tors. eta vs tors. theta energy: -24.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -881.907448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.907448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.907448 (E_RNA) where: Base-Base interactions energy: -413.810 where: short stacking energy: -280.046 Base-Backbone interact. energy: 5.573 local terms energy: -473.670224 where: bonds (distance) C4'-P energy: -151.169 bonds (distance) P-C4' energy: -146.184 flat angles C4'-P-C4' energy: -128.145 flat angles P-C4'-P energy: -63.577 tors. eta vs tors. theta energy: 15.406 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: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3239.167298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.167298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.167298 (E_RNA) where: Base-Base interactions energy: -2258.750 where: short stacking energy: -999.235 Base-Backbone interact. energy: -7.009 local terms energy: -973.408005 where: bonds (distance) C4'-P energy: -168.141 bonds (distance) P-C4' energy: -186.674 flat angles C4'-P-C4' energy: -197.220 flat angles P-C4'-P energy: -133.487 tors. eta vs tors. theta energy: -287.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -3131.846601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.846601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.846601 (E_RNA) where: Base-Base interactions energy: -2121.886 where: short stacking energy: -904.018 Base-Backbone interact. energy: -5.118 local terms energy: -1004.843081 where: bonds (distance) C4'-P energy: -182.801 bonds (distance) P-C4' energy: -191.955 flat angles C4'-P-C4' energy: -208.370 flat angles P-C4'-P energy: -153.665 tors. eta vs tors. theta energy: -268.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2929.880297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.880297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.880297 (E_RNA) where: Base-Base interactions energy: -1981.085 where: short stacking energy: -878.263 Base-Backbone interact. energy: -2.303 local terms energy: -946.492304 where: bonds (distance) C4'-P energy: -190.945 bonds (distance) P-C4' energy: -183.798 flat angles C4'-P-C4' energy: -202.418 flat angles P-C4'-P energy: -128.804 tors. eta vs tors. theta energy: -240.528 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: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2674.127756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.127756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.127756 (E_RNA) where: Base-Base interactions energy: -1853.735 where: short stacking energy: -783.027 Base-Backbone interact. energy: -1.657 local terms energy: -818.735754 where: bonds (distance) C4'-P energy: -156.505 bonds (distance) P-C4' energy: -170.613 flat angles C4'-P-C4' energy: -175.920 flat angles P-C4'-P energy: -109.474 tors. eta vs tors. theta energy: -206.224 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: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2576.019921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.019921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.019921 (E_RNA) where: Base-Base interactions energy: -1738.772 where: short stacking energy: -795.011 Base-Backbone interact. energy: -4.158 local terms energy: -833.090458 where: bonds (distance) C4'-P energy: -149.283 bonds (distance) P-C4' energy: -162.992 flat angles C4'-P-C4' energy: -181.823 flat angles P-C4'-P energy: -116.822 tors. eta vs tors. theta energy: -222.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2197.322471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.322471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.322471 (E_RNA) where: Base-Base interactions energy: -1413.157 where: short stacking energy: -638.240 Base-Backbone interact. energy: -4.511 local terms energy: -779.654559 where: bonds (distance) C4'-P energy: -168.847 bonds (distance) P-C4' energy: -173.852 flat angles C4'-P-C4' energy: -187.723 flat angles P-C4'-P energy: -87.818 tors. eta vs tors. theta energy: -161.414 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: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2036.088183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.088183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.088183 (E_RNA) where: Base-Base interactions energy: -1318.189 where: short stacking energy: -589.591 Base-Backbone interact. energy: -4.283 local terms energy: -713.615832 where: bonds (distance) C4'-P energy: -145.055 bonds (distance) P-C4' energy: -160.139 flat angles C4'-P-C4' energy: -167.368 flat angles P-C4'-P energy: -90.768 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: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1646.698021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.698021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.698021 (E_RNA) where: Base-Base interactions energy: -1034.761 where: short stacking energy: -473.718 Base-Backbone interact. energy: -3.929 local terms energy: -608.007827 where: bonds (distance) C4'-P energy: -134.477 bonds (distance) P-C4' energy: -158.400 flat angles C4'-P-C4' energy: -149.355 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -69.213 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: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1222.295639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.295639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.295639 (E_RNA) where: Base-Base interactions energy: -664.591 where: short stacking energy: -346.250 Base-Backbone interact. energy: 11.508 local terms energy: -569.212424 where: bonds (distance) C4'-P energy: -161.500 bonds (distance) P-C4' energy: -147.968 flat angles C4'-P-C4' energy: -150.408 flat angles P-C4'-P energy: -74.602 tors. eta vs tors. theta energy: -34.735 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: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -875.547012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.547012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.547012 (E_RNA) where: Base-Base interactions energy: -407.335 where: short stacking energy: -242.558 Base-Backbone interact. energy: 2.284 local terms energy: -470.495611 where: bonds (distance) C4'-P energy: -144.201 bonds (distance) P-C4' energy: -159.225 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -52.943 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: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3237.927097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.927097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.927097 (E_RNA) where: Base-Base interactions energy: -2225.564 where: short stacking energy: -947.702 Base-Backbone interact. energy: -1.053 local terms energy: -1011.309862 where: bonds (distance) C4'-P energy: -199.554 bonds (distance) P-C4' energy: -194.143 flat angles C4'-P-C4' energy: -201.372 flat angles P-C4'-P energy: -140.087 tors. eta vs tors. theta energy: -276.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -3137.608340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.608340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.608340 (E_RNA) where: Base-Base interactions energy: -2159.435 where: short stacking energy: -934.924 Base-Backbone interact. energy: -3.617 local terms energy: -974.556762 where: bonds (distance) C4'-P energy: -179.979 bonds (distance) P-C4' energy: -183.586 flat angles C4'-P-C4' energy: -196.693 flat angles P-C4'-P energy: -146.764 tors. eta vs tors. theta energy: -267.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2933.446878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.446878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.446878 (E_RNA) where: Base-Base interactions energy: -2038.189 where: short stacking energy: -883.292 Base-Backbone interact. energy: -0.926 local terms energy: -894.331870 where: bonds (distance) C4'-P energy: -157.927 bonds (distance) P-C4' energy: -164.697 flat angles C4'-P-C4' energy: -194.210 flat angles P-C4'-P energy: -137.044 tors. eta vs tors. theta energy: -240.455 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: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2736.094422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.094422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.094422 (E_RNA) where: Base-Base interactions energy: -1850.461 where: short stacking energy: -787.518 Base-Backbone interact. energy: -1.876 local terms energy: -883.757329 where: bonds (distance) C4'-P energy: -165.693 bonds (distance) P-C4' energy: -170.033 flat angles C4'-P-C4' energy: -205.654 flat angles P-C4'-P energy: -127.380 tors. eta vs tors. theta energy: -214.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2579.235404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.235404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.235404 (E_RNA) where: Base-Base interactions energy: -1738.920 where: short stacking energy: -768.466 Base-Backbone interact. energy: -2.399 local terms energy: -837.916388 where: bonds (distance) C4'-P energy: -170.006 bonds (distance) P-C4' energy: -150.547 flat angles C4'-P-C4' energy: -193.099 flat angles P-C4'-P energy: -103.107 tors. eta vs tors. theta energy: -221.157 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: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2225.418798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.418798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.418798 (E_RNA) where: Base-Base interactions energy: -1492.662 where: short stacking energy: -669.096 Base-Backbone interact. energy: -1.175 local terms energy: -731.581177 where: bonds (distance) C4'-P energy: -135.826 bonds (distance) P-C4' energy: -164.578 flat angles C4'-P-C4' energy: -170.934 flat angles P-C4'-P energy: -99.745 tors. eta vs tors. theta energy: -160.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1990.309364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.309364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.309364 (E_RNA) where: Base-Base interactions energy: -1274.446 where: short stacking energy: -578.663 Base-Backbone interact. energy: -4.106 local terms energy: -711.756667 where: bonds (distance) C4'-P energy: -145.626 bonds (distance) P-C4' energy: -167.528 flat angles C4'-P-C4' energy: -164.566 flat angles P-C4'-P energy: -100.453 tors. eta vs tors. theta energy: -133.583 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: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1652.613391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.613391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.613391 (E_RNA) where: Base-Base interactions energy: -1008.484 where: short stacking energy: -471.364 Base-Backbone interact. energy: 2.674 local terms energy: -646.803405 where: bonds (distance) C4'-P energy: -153.200 bonds (distance) P-C4' energy: -138.729 flat angles C4'-P-C4' energy: -159.924 flat angles P-C4'-P energy: -93.590 tors. eta vs tors. theta energy: -101.361 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: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1229.757752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.757752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.757752 (E_RNA) where: Base-Base interactions energy: -711.322 where: short stacking energy: -331.080 Base-Backbone interact. energy: 1.180 local terms energy: -519.615137 where: bonds (distance) C4'-P energy: -145.149 bonds (distance) P-C4' energy: -137.597 flat angles C4'-P-C4' energy: -135.560 flat angles P-C4'-P energy: -76.566 tors. eta vs tors. theta energy: -24.743 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -829.977708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.977708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.977708 (E_RNA) where: Base-Base interactions energy: -368.989 where: short stacking energy: -224.972 Base-Backbone interact. energy: 1.302 local terms energy: -462.290438 where: bonds (distance) C4'-P energy: -130.876 bonds (distance) P-C4' energy: -163.349 flat angles C4'-P-C4' energy: -125.048 flat angles P-C4'-P energy: -73.789 tors. eta vs tors. theta energy: 30.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3224.889013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.889013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.889013 (E_RNA) where: Base-Base interactions energy: -2236.398 where: short stacking energy: -950.481 Base-Backbone interact. energy: -2.793 local terms energy: -985.698383 where: bonds (distance) C4'-P energy: -187.260 bonds (distance) P-C4' energy: -195.886 flat angles C4'-P-C4' energy: -194.724 flat angles P-C4'-P energy: -125.973 tors. eta vs tors. theta energy: -281.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -3100.088243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.088243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.088243 (E_RNA) where: Base-Base interactions energy: -2136.973 where: short stacking energy: -930.243 Base-Backbone interact. energy: -5.674 local terms energy: -957.441898 where: bonds (distance) C4'-P energy: -186.611 bonds (distance) P-C4' energy: -175.806 flat angles C4'-P-C4' energy: -205.656 flat angles P-C4'-P energy: -124.308 tors. eta vs tors. theta energy: -265.061 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2908.832073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.832073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.832073 (E_RNA) where: Base-Base interactions energy: -2001.797 where: short stacking energy: -878.169 Base-Backbone interact. energy: -1.719 local terms energy: -905.315524 where: bonds (distance) C4'-P energy: -173.184 bonds (distance) P-C4' energy: -171.503 flat angles C4'-P-C4' energy: -195.194 flat angles P-C4'-P energy: -131.926 tors. eta vs tors. theta energy: -233.508 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: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2743.449956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.449956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.449956 (E_RNA) where: Base-Base interactions energy: -1857.497 where: short stacking energy: -812.426 Base-Backbone interact. energy: -1.255 local terms energy: -884.697422 where: bonds (distance) C4'-P energy: -183.025 bonds (distance) P-C4' energy: -165.887 flat angles C4'-P-C4' energy: -188.491 flat angles P-C4'-P energy: -131.287 tors. eta vs tors. theta energy: -216.006 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: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2604.394416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.394416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.394416 (E_RNA) where: Base-Base interactions energy: -1768.666 where: short stacking energy: -817.618 Base-Backbone interact. energy: -1.835 local terms energy: -833.893673 where: bonds (distance) C4'-P energy: -158.163 bonds (distance) P-C4' energy: -154.720 flat angles C4'-P-C4' energy: -194.350 flat angles P-C4'-P energy: -105.064 tors. eta vs tors. theta energy: -221.597 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: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2224.252154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.252154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.252154 (E_RNA) where: Base-Base interactions energy: -1512.257 where: short stacking energy: -679.513 Base-Backbone interact. energy: -3.957 local terms energy: -708.038366 where: bonds (distance) C4'-P energy: -143.929 bonds (distance) P-C4' energy: -145.520 flat angles C4'-P-C4' energy: -169.249 flat angles P-C4'-P energy: -91.954 tors. eta vs tors. theta energy: -157.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2032.315729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.315729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.315729 (E_RNA) where: Base-Base interactions energy: -1322.669 where: short stacking energy: -612.496 Base-Backbone interact. energy: 2.083 local terms energy: -711.728957 where: bonds (distance) C4'-P energy: -135.932 bonds (distance) P-C4' energy: -167.972 flat angles C4'-P-C4' energy: -169.470 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -127.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1652.253980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.253980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.253980 (E_RNA) where: Base-Base interactions energy: -1028.788 where: short stacking energy: -459.270 Base-Backbone interact. energy: 0.101 local terms energy: -623.567410 where: bonds (distance) C4'-P energy: -153.990 bonds (distance) P-C4' energy: -164.166 flat angles C4'-P-C4' energy: -142.196 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -57.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1280.208295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.208295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.208295 (E_RNA) where: Base-Base interactions energy: -715.865 where: short stacking energy: -395.238 Base-Backbone interact. energy: -0.170 local terms energy: -564.173077 where: bonds (distance) C4'-P energy: -144.232 bonds (distance) P-C4' energy: -164.590 flat angles C4'-P-C4' energy: -122.657 flat angles P-C4'-P energy: -78.481 tors. eta vs tors. theta energy: -54.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -880.340223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.340223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.340223 (E_RNA) where: Base-Base interactions energy: -419.914 where: short stacking energy: -243.104 Base-Backbone interact. energy: 0.071 local terms energy: -460.497398 where: bonds (distance) C4'-P energy: -142.153 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -112.371 flat angles P-C4'-P energy: -70.143 tors. eta vs tors. theta energy: 9.645 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: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3224.958038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.958038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.958038 (E_RNA) where: Base-Base interactions energy: -2212.767 where: short stacking energy: -951.489 Base-Backbone interact. energy: -6.024 local terms energy: -1006.166974 where: bonds (distance) C4'-P energy: -178.171 bonds (distance) P-C4' energy: -189.664 flat angles C4'-P-C4' energy: -216.567 flat angles P-C4'-P energy: -133.121 tors. eta vs tors. theta energy: -288.643 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: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -3135.265224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.265224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.265224 (E_RNA) where: Base-Base interactions energy: -2145.496 where: short stacking energy: -955.560 Base-Backbone interact. energy: -7.747 local terms energy: -982.022179 where: bonds (distance) C4'-P energy: -165.985 bonds (distance) P-C4' energy: -181.864 flat angles C4'-P-C4' energy: -196.252 flat angles P-C4'-P energy: -139.691 tors. eta vs tors. theta energy: -298.230 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: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2932.124497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.124497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.124497 (E_RNA) where: Base-Base interactions energy: -2011.951 where: short stacking energy: -886.086 Base-Backbone interact. energy: -9.237 local terms energy: -910.936396 where: bonds (distance) C4'-P energy: -163.192 bonds (distance) P-C4' energy: -173.229 flat angles C4'-P-C4' energy: -196.686 flat angles P-C4'-P energy: -133.617 tors. eta vs tors. theta energy: -244.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2696.699220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.699220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.699220 (E_RNA) where: Base-Base interactions energy: -1843.649 where: short stacking energy: -816.729 Base-Backbone interact. energy: -1.969 local terms energy: -851.081887 where: bonds (distance) C4'-P energy: -159.408 bonds (distance) P-C4' energy: -165.043 flat angles C4'-P-C4' energy: -186.506 flat angles P-C4'-P energy: -120.739 tors. eta vs tors. theta energy: -219.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2622.519368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.519368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.519368 (E_RNA) where: Base-Base interactions energy: -1739.821 where: short stacking energy: -771.294 Base-Backbone interact. energy: -4.745 local terms energy: -877.953275 where: bonds (distance) C4'-P energy: -156.496 bonds (distance) P-C4' energy: -170.339 flat angles C4'-P-C4' energy: -194.139 flat angles P-C4'-P energy: -132.091 tors. eta vs tors. theta energy: -224.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2226.969682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.969682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.969682 (E_RNA) where: Base-Base interactions energy: -1452.887 where: short stacking energy: -635.133 Base-Backbone interact. energy: -3.376 local terms energy: -770.706042 where: bonds (distance) C4'-P energy: -167.536 bonds (distance) P-C4' energy: -165.381 flat angles C4'-P-C4' energy: -173.022 flat angles P-C4'-P energy: -103.283 tors. eta vs tors. theta energy: -161.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2037.765234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.765234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.765234 (E_RNA) where: Base-Base interactions energy: -1334.504 where: short stacking energy: -582.964 Base-Backbone interact. energy: -1.578 local terms energy: -701.683557 where: bonds (distance) C4'-P energy: -153.566 bonds (distance) P-C4' energy: -160.732 flat angles C4'-P-C4' energy: -163.480 flat angles P-C4'-P energy: -97.712 tors. eta vs tors. theta energy: -126.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1653.990583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.990583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.990583 (E_RNA) where: Base-Base interactions energy: -995.829 where: short stacking energy: -449.471 Base-Backbone interact. energy: 0.720 local terms energy: -658.881850 where: bonds (distance) C4'-P energy: -154.667 bonds (distance) P-C4' energy: -162.306 flat angles C4'-P-C4' energy: -168.080 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -79.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1280.539677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.539677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.539677 (E_RNA) where: Base-Base interactions energy: -696.002 where: short stacking energy: -350.089 Base-Backbone interact. energy: -1.374 local terms energy: -583.164260 where: bonds (distance) C4'-P energy: -166.094 bonds (distance) P-C4' energy: -167.872 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -98.608 tors. eta vs tors. theta energy: -12.629 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: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -933.132142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.132142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.132142 (E_RNA) where: Base-Base interactions energy: -467.838 where: short stacking energy: -269.388 Base-Backbone interact. energy: 5.124 local terms energy: -470.417644 where: bonds (distance) C4'-P energy: -174.856 bonds (distance) P-C4' energy: -142.328 flat angles C4'-P-C4' energy: -94.267 flat angles P-C4'-P energy: -71.635 tors. eta vs tors. theta energy: 12.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3241.246833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.246833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.246833 (E_RNA) where: Base-Base interactions energy: -2256.656 where: short stacking energy: -943.064 Base-Backbone interact. energy: -1.608 local terms energy: -982.982494 where: bonds (distance) C4'-P energy: -173.987 bonds (distance) P-C4' energy: -188.434 flat angles C4'-P-C4' energy: -204.013 flat angles P-C4'-P energy: -138.125 tors. eta vs tors. theta energy: -278.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -3102.779726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.779726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.779726 (E_RNA) where: Base-Base interactions energy: -2155.711 where: short stacking energy: -938.879 Base-Backbone interact. energy: -3.949 local terms energy: -943.120358 where: bonds (distance) C4'-P energy: -160.978 bonds (distance) P-C4' energy: -157.236 flat angles C4'-P-C4' energy: -220.571 flat angles P-C4'-P energy: -142.706 tors. eta vs tors. theta energy: -261.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2902.520978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.520978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.520978 (E_RNA) where: Base-Base interactions energy: -1957.276 where: short stacking energy: -865.736 Base-Backbone interact. energy: -8.432 local terms energy: -936.812898 where: bonds (distance) C4'-P energy: -167.910 bonds (distance) P-C4' energy: -193.644 flat angles C4'-P-C4' energy: -192.773 flat angles P-C4'-P energy: -129.797 tors. eta vs tors. theta energy: -252.688 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2745.585308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.585308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.585308 (E_RNA) where: Base-Base interactions energy: -1850.696 where: short stacking energy: -836.532 Base-Backbone interact. energy: -1.647 local terms energy: -893.242167 where: bonds (distance) C4'-P energy: -171.525 bonds (distance) P-C4' energy: -166.791 flat angles C4'-P-C4' energy: -206.324 flat angles P-C4'-P energy: -125.452 tors. eta vs tors. theta energy: -223.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2642.877010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.877010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.877010 (E_RNA) where: Base-Base interactions energy: -1786.206 where: short stacking energy: -795.273 Base-Backbone interact. energy: -5.999 local terms energy: -850.672171 where: bonds (distance) C4'-P energy: -150.470 bonds (distance) P-C4' energy: -178.660 flat angles C4'-P-C4' energy: -190.085 flat angles P-C4'-P energy: -100.989 tors. eta vs tors. theta energy: -230.468 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: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2246.175608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.175608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.175608 (E_RNA) where: Base-Base interactions energy: -1508.201 where: short stacking energy: -630.512 Base-Backbone interact. energy: -2.260 local terms energy: -735.714150 where: bonds (distance) C4'-P energy: -163.551 bonds (distance) P-C4' energy: -132.831 flat angles C4'-P-C4' energy: -176.797 flat angles P-C4'-P energy: -123.236 tors. eta vs tors. theta energy: -139.299 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: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1951.527607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.527607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.527607 (E_RNA) where: Base-Base interactions energy: -1267.512 where: short stacking energy: -574.690 Base-Backbone interact. energy: 1.826 local terms energy: -685.841640 where: bonds (distance) C4'-P energy: -144.794 bonds (distance) P-C4' energy: -139.849 flat angles C4'-P-C4' energy: -180.659 flat angles P-C4'-P energy: -93.218 tors. eta vs tors. theta energy: -127.322 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: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1694.757576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.757576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.757576 (E_RNA) where: Base-Base interactions energy: -1063.465 where: short stacking energy: -486.591 Base-Backbone interact. energy: -0.719 local terms energy: -630.573796 where: bonds (distance) C4'-P energy: -148.344 bonds (distance) P-C4' energy: -144.367 flat angles C4'-P-C4' energy: -153.457 flat angles P-C4'-P energy: -108.114 tors. eta vs tors. theta energy: -76.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1372.890151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.890151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.890151 (E_RNA) where: Base-Base interactions energy: -811.032 where: short stacking energy: -417.316 Base-Backbone interact. energy: 1.018 local terms energy: -562.876643 where: bonds (distance) C4'-P energy: -148.575 bonds (distance) P-C4' energy: -157.381 flat angles C4'-P-C4' energy: -148.100 flat angles P-C4'-P energy: -79.883 tors. eta vs tors. theta energy: -28.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -904.496701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.496701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.496701 (E_RNA) where: Base-Base interactions energy: -429.744 where: short stacking energy: -247.643 Base-Backbone interact. energy: 2.615 local terms energy: -477.367584 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -179.824 flat angles C4'-P-C4' energy: -104.963 flat angles P-C4'-P energy: -76.283 tors. eta vs tors. theta energy: 26.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3199.230511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.230511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.230511 (E_RNA) where: Base-Base interactions energy: -2226.428 where: short stacking energy: -944.126 Base-Backbone interact. energy: -6.000 local terms energy: -966.802038 where: bonds (distance) C4'-P energy: -177.554 bonds (distance) P-C4' energy: -165.994 flat angles C4'-P-C4' energy: -217.700 flat angles P-C4'-P energy: -132.945 tors. eta vs tors. theta energy: -272.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -3112.295981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.295981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.295981 (E_RNA) where: Base-Base interactions energy: -2134.203 where: short stacking energy: -917.620 Base-Backbone interact. energy: -4.670 local terms energy: -973.422421 where: bonds (distance) C4'-P energy: -177.274 bonds (distance) P-C4' energy: -186.505 flat angles C4'-P-C4' energy: -211.124 flat angles P-C4'-P energy: -138.873 tors. eta vs tors. theta energy: -259.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2903.971739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.971739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.971739 (E_RNA) where: Base-Base interactions energy: -2006.492 where: short stacking energy: -866.782 Base-Backbone interact. energy: -5.474 local terms energy: -892.005943 where: bonds (distance) C4'-P energy: -157.192 bonds (distance) P-C4' energy: -171.741 flat angles C4'-P-C4' energy: -186.644 flat angles P-C4'-P energy: -130.850 tors. eta vs tors. theta energy: -245.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2752.721476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.721476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.721476 (E_RNA) where: Base-Base interactions energy: -1899.778 where: short stacking energy: -862.180 Base-Backbone interact. energy: 0.970 local terms energy: -853.912999 where: bonds (distance) C4'-P energy: -142.986 bonds (distance) P-C4' energy: -165.460 flat angles C4'-P-C4' energy: -203.402 flat angles P-C4'-P energy: -121.010 tors. eta vs tors. theta energy: -221.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2591.844004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.844004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.844004 (E_RNA) where: Base-Base interactions energy: -1750.445 where: short stacking energy: -763.674 Base-Backbone interact. energy: -2.347 local terms energy: -839.052356 where: bonds (distance) C4'-P energy: -154.352 bonds (distance) P-C4' energy: -166.070 flat angles C4'-P-C4' energy: -183.911 flat angles P-C4'-P energy: -114.710 tors. eta vs tors. theta energy: -220.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2231.335321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.335321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.335321 (E_RNA) where: Base-Base interactions energy: -1502.381 where: short stacking energy: -646.652 Base-Backbone interact. energy: -3.692 local terms energy: -725.262115 where: bonds (distance) C4'-P energy: -149.964 bonds (distance) P-C4' energy: -153.902 flat angles C4'-P-C4' energy: -183.938 flat angles P-C4'-P energy: -99.568 tors. eta vs tors. theta energy: -137.890 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: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2021.556855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.556855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.556855 (E_RNA) where: Base-Base interactions energy: -1317.550 where: short stacking energy: -618.743 Base-Backbone interact. energy: -4.783 local terms energy: -699.222985 where: bonds (distance) C4'-P energy: -156.857 bonds (distance) P-C4' energy: -151.706 flat angles C4'-P-C4' energy: -163.776 flat angles P-C4'-P energy: -97.437 tors. eta vs tors. theta energy: -129.447 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: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1727.218315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.218315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.218315 (E_RNA) where: Base-Base interactions energy: -1099.465 where: short stacking energy: -488.665 Base-Backbone interact. energy: 2.291 local terms energy: -630.044248 where: bonds (distance) C4'-P energy: -142.342 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -153.445 flat angles P-C4'-P energy: -96.037 tors. eta vs tors. theta energy: -82.051 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: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1282.855919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.855919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.855919 (E_RNA) where: Base-Base interactions energy: -767.400 where: short stacking energy: -384.473 Base-Backbone interact. energy: 2.274 local terms energy: -517.729547 where: bonds (distance) C4'-P energy: -139.957 bonds (distance) P-C4' energy: -158.094 flat angles C4'-P-C4' energy: -120.384 flat angles P-C4'-P energy: -82.283 tors. eta vs tors. theta energy: -17.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -904.979500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.979500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.979500 (E_RNA) where: Base-Base interactions energy: -454.280 where: short stacking energy: -251.272 Base-Backbone interact. energy: 0.380 local terms energy: -451.080140 where: bonds (distance) C4'-P energy: -121.452 bonds (distance) P-C4' energy: -151.890 flat angles C4'-P-C4' energy: -121.168 flat angles P-C4'-P energy: -66.765 tors. eta vs tors. theta energy: 10.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3225.991038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.991038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.991038 (E_RNA) where: Base-Base interactions energy: -2236.351 where: short stacking energy: -962.653 Base-Backbone interact. energy: -4.586 local terms energy: -985.053522 where: bonds (distance) C4'-P energy: -173.089 bonds (distance) P-C4' energy: -180.067 flat angles C4'-P-C4' energy: -197.671 flat angles P-C4'-P energy: -141.284 tors. eta vs tors. theta energy: -292.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -3163.963029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.963029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.963029 (E_RNA) where: Base-Base interactions energy: -2179.447 where: short stacking energy: -963.696 Base-Backbone interact. energy: -2.880 local terms energy: -981.636377 where: bonds (distance) C4'-P energy: -165.871 bonds (distance) P-C4' energy: -182.454 flat angles C4'-P-C4' energy: -202.872 flat angles P-C4'-P energy: -158.979 tors. eta vs tors. theta energy: -271.461 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2886.888209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.888209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.888209 (E_RNA) where: Base-Base interactions energy: -1983.546 where: short stacking energy: -863.255 Base-Backbone interact. energy: -5.890 local terms energy: -897.451342 where: bonds (distance) C4'-P energy: -177.757 bonds (distance) P-C4' energy: -161.551 flat angles C4'-P-C4' energy: -191.087 flat angles P-C4'-P energy: -123.556 tors. eta vs tors. theta energy: -243.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2719.550823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.550823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.550823 (E_RNA) where: Base-Base interactions energy: -1853.753 where: short stacking energy: -825.479 Base-Backbone interact. energy: -5.590 local terms energy: -860.207244 where: bonds (distance) C4'-P energy: -149.642 bonds (distance) P-C4' energy: -158.080 flat angles C4'-P-C4' energy: -203.962 flat angles P-C4'-P energy: -122.253 tors. eta vs tors. theta energy: -226.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2675.324396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.324396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.324396 (E_RNA) where: Base-Base interactions energy: -1794.017 where: short stacking energy: -792.205 Base-Backbone interact. energy: -2.160 local terms energy: -879.146763 where: bonds (distance) C4'-P energy: -180.828 bonds (distance) P-C4' energy: -178.065 flat angles C4'-P-C4' energy: -176.580 flat angles P-C4'-P energy: -122.976 tors. eta vs tors. theta energy: -220.698 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: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2202.896696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.896696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.896696 (E_RNA) where: Base-Base interactions energy: -1477.312 where: short stacking energy: -653.003 Base-Backbone interact. energy: -0.988 local terms energy: -724.596436 where: bonds (distance) C4'-P energy: -166.821 bonds (distance) P-C4' energy: -164.690 flat angles C4'-P-C4' energy: -163.424 flat angles P-C4'-P energy: -97.084 tors. eta vs tors. theta energy: -132.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2027.852397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.852397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.852397 (E_RNA) where: Base-Base interactions energy: -1311.347 where: short stacking energy: -594.747 Base-Backbone interact. energy: 2.727 local terms energy: -719.232102 where: bonds (distance) C4'-P energy: -166.559 bonds (distance) P-C4' energy: -146.674 flat angles C4'-P-C4' energy: -183.976 flat angles P-C4'-P energy: -100.788 tors. eta vs tors. theta energy: -121.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1742.625593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.625593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.625593 (E_RNA) where: Base-Base interactions energy: -1094.366 where: short stacking energy: -498.790 Base-Backbone interact. energy: 2.011 local terms energy: -650.270331 where: bonds (distance) C4'-P energy: -155.181 bonds (distance) P-C4' energy: -161.452 flat angles C4'-P-C4' energy: -159.609 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -77.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1305.837586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.837586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.837586 (E_RNA) where: Base-Base interactions energy: -749.564 where: short stacking energy: -400.687 Base-Backbone interact. energy: -0.744 local terms energy: -555.529854 where: bonds (distance) C4'-P energy: -150.954 bonds (distance) P-C4' energy: -167.990 flat angles C4'-P-C4' energy: -145.174 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -25.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -886.491284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.491284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.491284 (E_RNA) where: Base-Base interactions energy: -428.432 where: short stacking energy: -230.673 Base-Backbone interact. energy: 4.667 local terms energy: -462.726994 where: bonds (distance) C4'-P energy: -131.124 bonds (distance) P-C4' energy: -163.354 flat angles C4'-P-C4' energy: -104.897 flat angles P-C4'-P energy: -69.360 tors. eta vs tors. theta energy: 6.008 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: 234 Temperature: 0.900000 Total energy: -3223.991807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.991807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.991807 (E_RNA) where: Base-Base interactions energy: -2229.911 where: short stacking energy: -941.085 Base-Backbone interact. energy: -4.559 local terms energy: -989.522403 where: bonds (distance) C4'-P energy: -182.094 bonds (distance) P-C4' energy: -182.536 flat angles C4'-P-C4' energy: -216.609 flat angles P-C4'-P energy: -128.017 tors. eta vs tors. theta energy: -280.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -3121.477740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.477740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.477740 (E_RNA) where: Base-Base interactions energy: -2141.127 where: short stacking energy: -931.504 Base-Backbone interact. energy: 1.999 local terms energy: -982.350176 where: bonds (distance) C4'-P energy: -184.607 bonds (distance) P-C4' energy: -181.018 flat angles C4'-P-C4' energy: -212.087 flat angles P-C4'-P energy: -130.980 tors. eta vs tors. theta energy: -273.658 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: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2886.740739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.740739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.740739 (E_RNA) where: Base-Base interactions energy: -1946.096 where: short stacking energy: -877.263 Base-Backbone interact. energy: -3.134 local terms energy: -937.510643 where: bonds (distance) C4'-P energy: -164.839 bonds (distance) P-C4' energy: -182.455 flat angles C4'-P-C4' energy: -194.384 flat angles P-C4'-P energy: -137.141 tors. eta vs tors. theta energy: -258.691 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: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2687.993848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.993848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.993848 (E_RNA) where: Base-Base interactions energy: -1823.788 where: short stacking energy: -775.002 Base-Backbone interact. energy: -2.824 local terms energy: -861.382083 where: bonds (distance) C4'-P energy: -162.217 bonds (distance) P-C4' energy: -167.669 flat angles C4'-P-C4' energy: -203.516 flat angles P-C4'-P energy: -124.732 tors. eta vs tors. theta energy: -203.249 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: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2692.070611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.070611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.070611 (E_RNA) where: Base-Base interactions energy: -1834.264 where: short stacking energy: -819.349 Base-Backbone interact. energy: -2.817 local terms energy: -854.989820 where: bonds (distance) C4'-P energy: -147.236 bonds (distance) P-C4' energy: -167.392 flat angles C4'-P-C4' energy: -184.411 flat angles P-C4'-P energy: -120.682 tors. eta vs tors. theta energy: -235.269 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: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2217.937730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.937730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.937730 (E_RNA) where: Base-Base interactions energy: -1484.122 where: short stacking energy: -670.167 Base-Backbone interact. energy: 1.528 local terms energy: -735.343944 where: bonds (distance) C4'-P energy: -146.630 bonds (distance) P-C4' energy: -145.711 flat angles C4'-P-C4' energy: -191.497 flat angles P-C4'-P energy: -97.810 tors. eta vs tors. theta energy: -153.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2029.825242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.825242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.825242 (E_RNA) where: Base-Base interactions energy: -1297.010 where: short stacking energy: -603.132 Base-Backbone interact. energy: -2.598 local terms energy: -730.217246 where: bonds (distance) C4'-P energy: -145.162 bonds (distance) P-C4' energy: -168.563 flat angles C4'-P-C4' energy: -172.314 flat angles P-C4'-P energy: -116.119 tors. eta vs tors. theta energy: -128.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1775.586542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.586542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.586542 (E_RNA) where: Base-Base interactions energy: -1135.381 where: short stacking energy: -517.651 Base-Backbone interact. energy: 3.143 local terms energy: -643.348224 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -158.092 flat angles C4'-P-C4' energy: -161.215 flat angles P-C4'-P energy: -88.235 tors. eta vs tors. theta energy: -99.872 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: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1399.178585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.178585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.178585 (E_RNA) where: Base-Base interactions energy: -800.591 where: short stacking energy: -405.051 Base-Backbone interact. energy: -2.603 local terms energy: -595.984015 where: bonds (distance) C4'-P energy: -141.489 bonds (distance) P-C4' energy: -146.389 flat angles C4'-P-C4' energy: -156.116 flat angles P-C4'-P energy: -99.645 tors. eta vs tors. theta energy: -52.345 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: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -925.004760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.004760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.004760 (E_RNA) where: Base-Base interactions energy: -444.750 where: short stacking energy: -249.308 Base-Backbone interact. energy: 1.037 local terms energy: -481.291576 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -146.885 flat angles C4'-P-C4' energy: -127.585 flat angles P-C4'-P energy: -74.729 tors. eta vs tors. theta energy: 12.247 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3198.199731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.199731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.199731 (E_RNA) where: Base-Base interactions energy: -2183.974 where: short stacking energy: -940.262 Base-Backbone interact. energy: -4.386 local terms energy: -1009.840250 where: bonds (distance) C4'-P energy: -187.495 bonds (distance) P-C4' energy: -186.269 flat angles C4'-P-C4' energy: -208.566 flat angles P-C4'-P energy: -141.535 tors. eta vs tors. theta energy: -285.975 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: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -3124.195168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.195168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.195168 (E_RNA) where: Base-Base interactions energy: -2158.476 where: short stacking energy: -934.385 Base-Backbone interact. energy: -0.299 local terms energy: -965.420059 where: bonds (distance) C4'-P energy: -176.463 bonds (distance) P-C4' energy: -173.096 flat angles C4'-P-C4' energy: -202.894 flat angles P-C4'-P energy: -139.537 tors. eta vs tors. theta energy: -273.429 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: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2927.442895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.442895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.442895 (E_RNA) where: Base-Base interactions energy: -2009.763 where: short stacking energy: -880.174 Base-Backbone interact. energy: 0.135 local terms energy: -917.814948 where: bonds (distance) C4'-P energy: -180.335 bonds (distance) P-C4' energy: -165.671 flat angles C4'-P-C4' energy: -211.572 flat angles P-C4'-P energy: -114.690 tors. eta vs tors. theta energy: -245.546 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: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2771.863760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.863760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.863760 (E_RNA) where: Base-Base interactions energy: -1910.223 where: short stacking energy: -835.386 Base-Backbone interact. energy: -0.314 local terms energy: -861.326656 where: bonds (distance) C4'-P energy: -172.624 bonds (distance) P-C4' energy: -152.549 flat angles C4'-P-C4' energy: -177.500 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -247.265 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: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2631.691111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.691111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.691111 (E_RNA) where: Base-Base interactions energy: -1817.559 where: short stacking energy: -747.405 Base-Backbone interact. energy: -2.133 local terms energy: -811.999486 where: bonds (distance) C4'-P energy: -156.186 bonds (distance) P-C4' energy: -171.488 flat angles C4'-P-C4' energy: -181.804 flat angles P-C4'-P energy: -112.365 tors. eta vs tors. theta energy: -190.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2254.750304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.750304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.750304 (E_RNA) where: Base-Base interactions energy: -1479.163 where: short stacking energy: -658.356 Base-Backbone interact. energy: -4.351 local terms energy: -771.236725 where: bonds (distance) C4'-P energy: -137.939 bonds (distance) P-C4' energy: -183.631 flat angles C4'-P-C4' energy: -183.540 flat angles P-C4'-P energy: -100.466 tors. eta vs tors. theta energy: -165.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1977.676107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.676107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.676107 (E_RNA) where: Base-Base interactions energy: -1273.245 where: short stacking energy: -595.541 Base-Backbone interact. energy: -4.204 local terms energy: -700.226905 where: bonds (distance) C4'-P energy: -150.279 bonds (distance) P-C4' energy: -173.602 flat angles C4'-P-C4' energy: -144.118 flat angles P-C4'-P energy: -95.627 tors. eta vs tors. theta energy: -136.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1734.817819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.817819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.817819 (E_RNA) where: Base-Base interactions energy: -1100.209 where: short stacking energy: -507.070 Base-Backbone interact. energy: 2.814 local terms energy: -637.422927 where: bonds (distance) C4'-P energy: -148.932 bonds (distance) P-C4' energy: -149.819 flat angles C4'-P-C4' energy: -147.362 flat angles P-C4'-P energy: -94.861 tors. eta vs tors. theta energy: -96.448 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: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1359.504034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.504034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.504034 (E_RNA) where: Base-Base interactions energy: -797.528 where: short stacking energy: -343.483 Base-Backbone interact. energy: -2.464 local terms energy: -559.511239 where: bonds (distance) C4'-P energy: -152.669 bonds (distance) P-C4' energy: -161.064 flat angles C4'-P-C4' energy: -141.865 flat angles P-C4'-P energy: -86.533 tors. eta vs tors. theta energy: -17.380 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: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -913.422307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.422307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.422307 (E_RNA) where: Base-Base interactions energy: -439.944 where: short stacking energy: -274.387 Base-Backbone interact. energy: -0.430 local terms energy: -473.048488 where: bonds (distance) C4'-P energy: -150.093 bonds (distance) P-C4' energy: -149.875 flat angles C4'-P-C4' energy: -108.947 flat angles P-C4'-P energy: -82.455 tors. eta vs tors. theta energy: 18.321 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: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3198.733940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.733940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.733940 (E_RNA) where: Base-Base interactions energy: -2230.422 where: short stacking energy: -966.594 Base-Backbone interact. energy: 0.652 local terms energy: -968.963905 where: bonds (distance) C4'-P energy: -170.507 bonds (distance) P-C4' energy: -181.716 flat angles C4'-P-C4' energy: -201.992 flat angles P-C4'-P energy: -150.441 tors. eta vs tors. theta energy: -264.308 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: 236 Temperature: 0.950000 Total energy: -3137.708802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.708802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.708802 (E_RNA) where: Base-Base interactions energy: -2152.442 where: short stacking energy: -933.242 Base-Backbone interact. energy: -3.704 local terms energy: -981.563077 where: bonds (distance) C4'-P energy: -193.806 bonds (distance) P-C4' energy: -179.163 flat angles C4'-P-C4' energy: -215.040 flat angles P-C4'-P energy: -133.697 tors. eta vs tors. theta energy: -259.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2954.582259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.582259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.582259 (E_RNA) where: Base-Base interactions energy: -2030.151 where: short stacking energy: -880.891 Base-Backbone interact. energy: -4.169 local terms energy: -920.261872 where: bonds (distance) C4'-P energy: -165.508 bonds (distance) P-C4' energy: -170.384 flat angles C4'-P-C4' energy: -199.001 flat angles P-C4'-P energy: -129.936 tors. eta vs tors. theta energy: -255.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2811.134294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.134294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.134294 (E_RNA) where: Base-Base interactions energy: -1906.804 where: short stacking energy: -828.711 Base-Backbone interact. energy: -5.495 local terms energy: -898.835516 where: bonds (distance) C4'-P energy: -162.769 bonds (distance) P-C4' energy: -169.384 flat angles C4'-P-C4' energy: -191.867 flat angles P-C4'-P energy: -122.946 tors. eta vs tors. theta energy: -251.870 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: 5, replica: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2615.945380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.945380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.945380 (E_RNA) where: Base-Base interactions energy: -1808.796 where: short stacking energy: -773.926 Base-Backbone interact. energy: -0.922 local terms energy: -806.227958 where: bonds (distance) C4'-P energy: -155.253 bonds (distance) P-C4' energy: -168.157 flat angles C4'-P-C4' energy: -171.214 flat angles P-C4'-P energy: -111.470 tors. eta vs tors. theta energy: -200.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2219.456594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.456594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.456594 (E_RNA) where: Base-Base interactions energy: -1487.253 where: short stacking energy: -668.356 Base-Backbone interact. energy: 0.443 local terms energy: -732.646854 where: bonds (distance) C4'-P energy: -138.554 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -104.643 tors. eta vs tors. theta energy: -166.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2016.698604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.698604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.698604 (E_RNA) where: Base-Base interactions energy: -1301.040 where: short stacking energy: -583.921 Base-Backbone interact. energy: -3.967 local terms energy: -711.692451 where: bonds (distance) C4'-P energy: -137.521 bonds (distance) P-C4' energy: -152.896 flat angles C4'-P-C4' energy: -161.374 flat angles P-C4'-P energy: -112.698 tors. eta vs tors. theta energy: -147.203 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: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1820.472575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.472575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.472575 (E_RNA) where: Base-Base interactions energy: -1171.088 where: short stacking energy: -508.838 Base-Backbone interact. energy: -1.772 local terms energy: -647.611911 where: bonds (distance) C4'-P energy: -138.303 bonds (distance) P-C4' energy: -145.609 flat angles C4'-P-C4' energy: -155.639 flat angles P-C4'-P energy: -96.015 tors. eta vs tors. theta energy: -112.046 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: 236 Temperature: 1.300000 Total energy: -1411.229310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.229310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.229310 (E_RNA) where: Base-Base interactions energy: -865.049 where: short stacking energy: -388.394 Base-Backbone interact. energy: -1.556 local terms energy: -544.625066 where: bonds (distance) C4'-P energy: -142.682 bonds (distance) P-C4' energy: -144.298 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -84.309 tors. eta vs tors. theta energy: -43.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -925.933161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.933161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.933161 (E_RNA) where: Base-Base interactions energy: -449.092 where: short stacking energy: -272.956 Base-Backbone interact. energy: 7.785 local terms energy: -484.626774 where: bonds (distance) C4'-P energy: -163.772 bonds (distance) P-C4' energy: -142.474 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -57.440 tors. eta vs tors. theta energy: -6.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3211.209419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.209419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.209419 (E_RNA) where: Base-Base interactions energy: -2235.384 where: short stacking energy: -961.021 Base-Backbone interact. energy: -4.541 local terms energy: -971.284469 where: bonds (distance) C4'-P energy: -169.878 bonds (distance) P-C4' energy: -179.020 flat angles C4'-P-C4' energy: -219.701 flat angles P-C4'-P energy: -122.645 tors. eta vs tors. theta energy: -280.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -3124.610540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.610540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.610540 (E_RNA) where: Base-Base interactions energy: -2167.313 where: short stacking energy: -971.376 Base-Backbone interact. energy: -6.739 local terms energy: -950.558289 where: bonds (distance) C4'-P energy: -176.783 bonds (distance) P-C4' energy: -157.266 flat angles C4'-P-C4' energy: -207.596 flat angles P-C4'-P energy: -131.632 tors. eta vs tors. theta energy: -277.282 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: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2922.651834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.651834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.651834 (E_RNA) where: Base-Base interactions energy: -1992.498 where: short stacking energy: -897.988 Base-Backbone interact. energy: -3.935 local terms energy: -926.218542 where: bonds (distance) C4'-P energy: -174.009 bonds (distance) P-C4' energy: -163.098 flat angles C4'-P-C4' energy: -201.788 flat angles P-C4'-P energy: -130.579 tors. eta vs tors. theta energy: -256.744 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: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2811.312719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.312719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.312719 (E_RNA) where: Base-Base interactions energy: -1917.809 where: short stacking energy: -832.294 Base-Backbone interact. energy: 6.620 local terms energy: -900.123797 where: bonds (distance) C4'-P energy: -167.515 bonds (distance) P-C4' energy: -170.292 flat angles C4'-P-C4' energy: -186.056 flat angles P-C4'-P energy: -127.151 tors. eta vs tors. theta energy: -249.109 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: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2682.401545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.401545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.401545 (E_RNA) where: Base-Base interactions energy: -1847.199 where: short stacking energy: -784.326 Base-Backbone interact. energy: -3.697 local terms energy: -831.505635 where: bonds (distance) C4'-P energy: -165.392 bonds (distance) P-C4' energy: -160.119 flat angles C4'-P-C4' energy: -193.764 flat angles P-C4'-P energy: -109.557 tors. eta vs tors. theta energy: -202.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2229.462894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.462894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.462894 (E_RNA) where: Base-Base interactions energy: -1471.942 where: short stacking energy: -659.665 Base-Backbone interact. energy: -1.720 local terms energy: -755.800857 where: bonds (distance) C4'-P energy: -149.153 bonds (distance) P-C4' energy: -187.083 flat angles C4'-P-C4' energy: -165.471 flat angles P-C4'-P energy: -90.580 tors. eta vs tors. theta energy: -163.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2028.823158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.823158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.823158 (E_RNA) where: Base-Base interactions energy: -1352.325 where: short stacking energy: -626.987 Base-Backbone interact. energy: -1.550 local terms energy: -674.947530 where: bonds (distance) C4'-P energy: -125.575 bonds (distance) P-C4' energy: -168.573 flat angles C4'-P-C4' energy: -156.531 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -138.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1651.077215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.077215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.077215 (E_RNA) where: Base-Base interactions energy: -1043.389 where: short stacking energy: -446.770 Base-Backbone interact. energy: 3.141 local terms energy: -610.829473 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -143.538 flat angles C4'-P-C4' energy: -154.640 flat angles P-C4'-P energy: -107.165 tors. eta vs tors. theta energy: -73.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1376.333163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.333163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.333163 (E_RNA) where: Base-Base interactions energy: -825.941 where: short stacking energy: -375.206 Base-Backbone interact. energy: 2.226 local terms energy: -552.617330 where: bonds (distance) C4'-P energy: -119.865 bonds (distance) P-C4' energy: -162.760 flat angles C4'-P-C4' energy: -142.348 flat angles P-C4'-P energy: -92.419 tors. eta vs tors. theta energy: -35.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -965.801457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.801457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.801457 (E_RNA) where: Base-Base interactions energy: -480.902 where: short stacking energy: -274.840 Base-Backbone interact. energy: 4.901 local terms energy: -489.800789 where: bonds (distance) C4'-P energy: -132.370 bonds (distance) P-C4' energy: -153.866 flat angles C4'-P-C4' energy: -150.341 flat angles P-C4'-P energy: -68.087 tors. eta vs tors. theta energy: 14.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3229.614428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.614428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.614428 (E_RNA) where: Base-Base interactions energy: -2217.446 where: short stacking energy: -970.749 Base-Backbone interact. energy: -6.621 local terms energy: -1005.547960 where: bonds (distance) C4'-P energy: -172.549 bonds (distance) P-C4' energy: -188.139 flat angles C4'-P-C4' energy: -219.981 flat angles P-C4'-P energy: -139.038 tors. eta vs tors. theta energy: -285.841 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: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -3139.514118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.514118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.514118 (E_RNA) where: Base-Base interactions energy: -2160.234 where: short stacking energy: -925.261 Base-Backbone interact. energy: -6.829 local terms energy: -972.451861 where: bonds (distance) C4'-P energy: -197.907 bonds (distance) P-C4' energy: -169.210 flat angles C4'-P-C4' energy: -207.633 flat angles P-C4'-P energy: -130.827 tors. eta vs tors. theta energy: -266.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2949.824499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.824499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.824499 (E_RNA) where: Base-Base interactions energy: -2037.710 where: short stacking energy: -901.792 Base-Backbone interact. energy: -5.333 local terms energy: -906.781307 where: bonds (distance) C4'-P energy: -169.450 bonds (distance) P-C4' energy: -153.811 flat angles C4'-P-C4' energy: -202.223 flat angles P-C4'-P energy: -144.323 tors. eta vs tors. theta energy: -236.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2827.020699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.020699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.020699 (E_RNA) where: Base-Base interactions energy: -1941.704 where: short stacking energy: -833.816 Base-Backbone interact. energy: -2.940 local terms energy: -882.376716 where: bonds (distance) C4'-P energy: -159.447 bonds (distance) P-C4' energy: -175.299 flat angles C4'-P-C4' energy: -186.143 flat angles P-C4'-P energy: -123.814 tors. eta vs tors. theta energy: -237.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2593.311825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.311825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.311825 (E_RNA) where: Base-Base interactions energy: -1759.320 where: short stacking energy: -776.765 Base-Backbone interact. energy: 6.861 local terms energy: -840.852961 where: bonds (distance) C4'-P energy: -142.059 bonds (distance) P-C4' energy: -164.787 flat angles C4'-P-C4' energy: -190.743 flat angles P-C4'-P energy: -137.830 tors. eta vs tors. theta energy: -205.434 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: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2145.407826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.407826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.407826 (E_RNA) where: Base-Base interactions energy: -1396.520 where: short stacking energy: -592.733 Base-Backbone interact. energy: -4.310 local terms energy: -744.578067 where: bonds (distance) C4'-P energy: -132.123 bonds (distance) P-C4' energy: -177.144 flat angles C4'-P-C4' energy: -189.343 flat angles P-C4'-P energy: -103.332 tors. eta vs tors. theta energy: -142.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1944.678501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.678501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.678501 (E_RNA) where: Base-Base interactions energy: -1232.340 where: short stacking energy: -593.977 Base-Backbone interact. energy: 1.034 local terms energy: -713.372619 where: bonds (distance) C4'-P energy: -139.087 bonds (distance) P-C4' energy: -153.581 flat angles C4'-P-C4' energy: -164.743 flat angles P-C4'-P energy: -120.091 tors. eta vs tors. theta energy: -135.871 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: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1780.550325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.550325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.550325 (E_RNA) where: Base-Base interactions energy: -1129.633 where: short stacking energy: -538.309 Base-Backbone interact. energy: 3.105 local terms energy: -654.022397 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -159.160 flat angles P-C4'-P energy: -102.925 tors. eta vs tors. theta energy: -98.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1364.780840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.780840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.780840 (E_RNA) where: Base-Base interactions energy: -865.333 where: short stacking energy: -392.084 Base-Backbone interact. energy: 0.605 local terms energy: -500.052633 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -150.871 flat angles C4'-P-C4' energy: -119.637 flat angles P-C4'-P energy: -72.068 tors. eta vs tors. theta energy: -43.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -998.580802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.580802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.580802 (E_RNA) where: Base-Base interactions energy: -544.382 where: short stacking energy: -323.552 Base-Backbone interact. energy: 2.418 local terms energy: -456.616822 where: bonds (distance) C4'-P energy: -140.389 bonds (distance) P-C4' energy: -134.982 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -70.128 tors. eta vs tors. theta energy: -2.618 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: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3212.358847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.358847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.358847 (E_RNA) where: Base-Base interactions energy: -2226.981 where: short stacking energy: -966.080 Base-Backbone interact. energy: -6.773 local terms energy: -978.604614 where: bonds (distance) C4'-P energy: -172.579 bonds (distance) P-C4' energy: -171.845 flat angles C4'-P-C4' energy: -215.659 flat angles P-C4'-P energy: -145.879 tors. eta vs tors. theta energy: -272.643 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: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -3181.560617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.560617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.560617 (E_RNA) where: Base-Base interactions energy: -2173.781 where: short stacking energy: -926.608 Base-Backbone interact. energy: -2.892 local terms energy: -1004.888040 where: bonds (distance) C4'-P energy: -184.001 bonds (distance) P-C4' energy: -177.366 flat angles C4'-P-C4' energy: -212.038 flat angles P-C4'-P energy: -146.296 tors. eta vs tors. theta energy: -285.186 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: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2952.545211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.545211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.545211 (E_RNA) where: Base-Base interactions energy: -2051.330 where: short stacking energy: -873.471 Base-Backbone interact. energy: -6.457 local terms energy: -894.757694 where: bonds (distance) C4'-P energy: -168.970 bonds (distance) P-C4' energy: -178.087 flat angles C4'-P-C4' energy: -183.541 flat angles P-C4'-P energy: -114.009 tors. eta vs tors. theta energy: -250.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2877.717168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.717168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.717168 (E_RNA) where: Base-Base interactions energy: -1969.050 where: short stacking energy: -875.121 Base-Backbone interact. energy: -5.507 local terms energy: -903.160263 where: bonds (distance) C4'-P energy: -184.828 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -192.048 flat angles P-C4'-P energy: -117.741 tors. eta vs tors. theta energy: -257.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2550.713942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.713942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.713942 (E_RNA) where: Base-Base interactions energy: -1733.346 where: short stacking energy: -742.701 Base-Backbone interact. energy: -0.716 local terms energy: -816.651304 where: bonds (distance) C4'-P energy: -165.672 bonds (distance) P-C4' energy: -161.281 flat angles C4'-P-C4' energy: -179.790 flat angles P-C4'-P energy: -119.967 tors. eta vs tors. theta energy: -189.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2156.327178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.327178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.327178 (E_RNA) where: Base-Base interactions energy: -1437.746 where: short stacking energy: -639.381 Base-Backbone interact. energy: -4.734 local terms energy: -713.847173 where: bonds (distance) C4'-P energy: -131.380 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -177.646 flat angles P-C4'-P energy: -109.021 tors. eta vs tors. theta energy: -157.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1939.858897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.858897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.858897 (E_RNA) where: Base-Base interactions energy: -1238.451 where: short stacking energy: -566.206 Base-Backbone interact. energy: 1.161 local terms energy: -702.568359 where: bonds (distance) C4'-P energy: -138.070 bonds (distance) P-C4' energy: -175.240 flat angles C4'-P-C4' energy: -174.776 flat angles P-C4'-P energy: -86.973 tors. eta vs tors. theta energy: -127.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1669.795260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.795260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.795260 (E_RNA) where: Base-Base interactions energy: -1029.036 where: short stacking energy: -492.307 Base-Backbone interact. energy: -1.492 local terms energy: -639.266951 where: bonds (distance) C4'-P energy: -150.589 bonds (distance) P-C4' energy: -142.325 flat angles C4'-P-C4' energy: -162.799 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -96.400 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: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1367.478413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.478413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.478413 (E_RNA) where: Base-Base interactions energy: -853.192 where: short stacking energy: -376.252 Base-Backbone interact. energy: 8.834 local terms energy: -523.120271 where: bonds (distance) C4'-P energy: -134.235 bonds (distance) P-C4' energy: -134.918 flat angles C4'-P-C4' energy: -144.989 flat angles P-C4'-P energy: -77.508 tors. eta vs tors. theta energy: -31.470 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: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1051.006882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.006882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.006882 (E_RNA) where: Base-Base interactions energy: -542.764 where: short stacking energy: -300.027 Base-Backbone interact. energy: -1.276 local terms energy: -506.967290 where: bonds (distance) C4'-P energy: -157.837 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -137.903 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: 9.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3250.352142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.352142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.352142 (E_RNA) where: Base-Base interactions energy: -2250.012 where: short stacking energy: -960.434 Base-Backbone interact. energy: -7.830 local terms energy: -992.510102 where: bonds (distance) C4'-P energy: -191.506 bonds (distance) P-C4' energy: -183.450 flat angles C4'-P-C4' energy: -208.194 flat angles P-C4'-P energy: -138.823 tors. eta vs tors. theta energy: -270.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -3185.059428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.059428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.059428 (E_RNA) where: Base-Base interactions energy: -2170.511 where: short stacking energy: -925.599 Base-Backbone interact. energy: 1.223 local terms energy: -1015.771694 where: bonds (distance) C4'-P energy: -188.505 bonds (distance) P-C4' energy: -188.632 flat angles C4'-P-C4' energy: -209.152 flat angles P-C4'-P energy: -144.015 tors. eta vs tors. theta energy: -285.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2950.271365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.271365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.271365 (E_RNA) where: Base-Base interactions energy: -2016.283 where: short stacking energy: -887.838 Base-Backbone interact. energy: -3.555 local terms energy: -930.433227 where: bonds (distance) C4'-P energy: -173.637 bonds (distance) P-C4' energy: -164.911 flat angles C4'-P-C4' energy: -212.703 flat angles P-C4'-P energy: -124.718 tors. eta vs tors. theta energy: -254.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2832.507951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.507951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.507951 (E_RNA) where: Base-Base interactions energy: -1950.945 where: short stacking energy: -903.955 Base-Backbone interact. energy: -2.524 local terms energy: -879.039222 where: bonds (distance) C4'-P energy: -151.749 bonds (distance) P-C4' energy: -171.441 flat angles C4'-P-C4' energy: -187.553 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -260.191 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: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2549.529025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.529025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.529025 (E_RNA) where: Base-Base interactions energy: -1743.566 where: short stacking energy: -766.563 Base-Backbone interact. energy: -5.305 local terms energy: -800.657591 where: bonds (distance) C4'-P energy: -178.570 bonds (distance) P-C4' energy: -156.835 flat angles C4'-P-C4' energy: -174.436 flat angles P-C4'-P energy: -105.316 tors. eta vs tors. theta energy: -185.501 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: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2319.651648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.651648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.651648 (E_RNA) where: Base-Base interactions energy: -1552.056 where: short stacking energy: -705.060 Base-Backbone interact. energy: 1.209 local terms energy: -768.805158 where: bonds (distance) C4'-P energy: -150.358 bonds (distance) P-C4' energy: -166.924 flat angles C4'-P-C4' energy: -175.808 flat angles P-C4'-P energy: -113.275 tors. eta vs tors. theta energy: -162.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1935.618126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.618126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.618126 (E_RNA) where: Base-Base interactions energy: -1244.619 where: short stacking energy: -569.861 Base-Backbone interact. energy: -2.290 local terms energy: -688.708835 where: bonds (distance) C4'-P energy: -149.219 bonds (distance) P-C4' energy: -180.019 flat angles C4'-P-C4' energy: -149.538 flat angles P-C4'-P energy: -97.598 tors. eta vs tors. theta energy: -112.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1695.886347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.886347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.886347 (E_RNA) where: Base-Base interactions energy: -1045.448 where: short stacking energy: -473.698 Base-Backbone interact. energy: 0.328 local terms energy: -650.765826 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -163.891 flat angles C4'-P-C4' energy: -164.109 flat angles P-C4'-P energy: -95.461 tors. eta vs tors. theta energy: -94.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1258.152165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.152165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.152165 (E_RNA) where: Base-Base interactions energy: -718.816 where: short stacking energy: -371.927 Base-Backbone interact. energy: 3.821 local terms energy: -543.157830 where: bonds (distance) C4'-P energy: -138.629 bonds (distance) P-C4' energy: -163.334 flat angles C4'-P-C4' energy: -120.852 flat angles P-C4'-P energy: -68.865 tors. eta vs tors. theta energy: -51.478 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: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1018.612348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.612348 (E_RNA) where: Base-Base interactions energy: -534.771 where: short stacking energy: -281.005 Base-Backbone interact. energy: 1.042 local terms energy: -484.883904 where: bonds (distance) C4'-P energy: -129.022 bonds (distance) P-C4' energy: -158.410 flat angles C4'-P-C4' energy: -118.422 flat angles P-C4'-P energy: -84.285 tors. eta vs tors. theta energy: 5.255 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: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3238.628193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.628193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.628193 (E_RNA) where: Base-Base interactions energy: -2241.127 where: short stacking energy: -973.032 Base-Backbone interact. energy: -5.736 local terms energy: -991.764538 where: bonds (distance) C4'-P energy: -181.638 bonds (distance) P-C4' energy: -177.791 flat angles C4'-P-C4' energy: -211.785 flat angles P-C4'-P energy: -146.533 tors. eta vs tors. theta energy: -274.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -3140.559435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.559435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.559435 (E_RNA) where: Base-Base interactions energy: -2162.781 where: short stacking energy: -942.957 Base-Backbone interact. energy: -5.848 local terms energy: -971.931096 where: bonds (distance) C4'-P energy: -163.609 bonds (distance) P-C4' energy: -198.286 flat angles C4'-P-C4' energy: -191.228 flat angles P-C4'-P energy: -142.269 tors. eta vs tors. theta energy: -276.540 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: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2968.204130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.204130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.204130 (E_RNA) where: Base-Base interactions energy: -2035.501 where: short stacking energy: -871.643 Base-Backbone interact. energy: -8.681 local terms energy: -924.022950 where: bonds (distance) C4'-P energy: -174.385 bonds (distance) P-C4' energy: -173.963 flat angles C4'-P-C4' energy: -198.661 flat angles P-C4'-P energy: -129.216 tors. eta vs tors. theta energy: -247.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2788.626910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.626910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.626910 (E_RNA) where: Base-Base interactions energy: -1898.486 where: short stacking energy: -855.793 Base-Backbone interact. energy: -1.611 local terms energy: -888.530585 where: bonds (distance) C4'-P energy: -149.555 bonds (distance) P-C4' energy: -188.573 flat angles C4'-P-C4' energy: -198.141 flat angles P-C4'-P energy: -104.945 tors. eta vs tors. theta energy: -247.317 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: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2676.121006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.121006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.121006 (E_RNA) where: Base-Base interactions energy: -1853.044 where: short stacking energy: -792.551 Base-Backbone interact. energy: 0.380 local terms energy: -823.457131 where: bonds (distance) C4'-P energy: -166.971 bonds (distance) P-C4' energy: -144.377 flat angles C4'-P-C4' energy: -190.883 flat angles P-C4'-P energy: -113.411 tors. eta vs tors. theta energy: -207.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2225.808131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.808131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.808131 (E_RNA) where: Base-Base interactions energy: -1474.126 where: short stacking energy: -661.698 Base-Backbone interact. energy: 1.237 local terms energy: -752.918724 where: bonds (distance) C4'-P energy: -172.403 bonds (distance) P-C4' energy: -154.992 flat angles C4'-P-C4' energy: -169.500 flat angles P-C4'-P energy: -88.167 tors. eta vs tors. theta energy: -167.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1968.754964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.754964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.754964 (E_RNA) where: Base-Base interactions energy: -1279.602 where: short stacking energy: -570.510 Base-Backbone interact. energy: 0.149 local terms energy: -689.302002 where: bonds (distance) C4'-P energy: -160.438 bonds (distance) P-C4' energy: -140.908 flat angles C4'-P-C4' energy: -154.240 flat angles P-C4'-P energy: -98.851 tors. eta vs tors. theta energy: -134.864 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: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1676.580048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.580048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.580048 (E_RNA) where: Base-Base interactions energy: -1078.681 where: short stacking energy: -486.671 Base-Backbone interact. energy: -0.407 local terms energy: -597.492322 where: bonds (distance) C4'-P energy: -150.506 bonds (distance) P-C4' energy: -164.559 flat angles C4'-P-C4' energy: -117.258 flat angles P-C4'-P energy: -72.707 tors. eta vs tors. theta energy: -92.462 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: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1251.165128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.165128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.165128 (E_RNA) where: Base-Base interactions energy: -701.434 where: short stacking energy: -349.518 Base-Backbone interact. energy: -3.412 local terms energy: -546.319393 where: bonds (distance) C4'-P energy: -158.612 bonds (distance) P-C4' energy: -150.280 flat angles C4'-P-C4' energy: -133.700 flat angles P-C4'-P energy: -100.682 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -994.436459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.436459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.436459 (E_RNA) where: Base-Base interactions energy: -518.387 where: short stacking energy: -307.233 Base-Backbone interact. energy: 6.414 local terms energy: -482.462966 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -140.995 flat angles C4'-P-C4' energy: -113.703 flat angles P-C4'-P energy: -69.163 tors. eta vs tors. theta energy: -25.957 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: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3211.022979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.022979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.022979 (E_RNA) where: Base-Base interactions energy: -2224.740 where: short stacking energy: -924.345 Base-Backbone interact. energy: -5.789 local terms energy: -980.493706 where: bonds (distance) C4'-P energy: -187.206 bonds (distance) P-C4' energy: -172.427 flat angles C4'-P-C4' energy: -205.344 flat angles P-C4'-P energy: -135.738 tors. eta vs tors. theta energy: -279.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -3116.389519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.389519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.389519 (E_RNA) where: Base-Base interactions energy: -2166.793 where: short stacking energy: -933.301 Base-Backbone interact. energy: 0.250 local terms energy: -949.847019 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -175.610 flat angles C4'-P-C4' energy: -195.377 flat angles P-C4'-P energy: -132.620 tors. eta vs tors. theta energy: -269.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2963.274597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.274597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.274597 (E_RNA) where: Base-Base interactions energy: -2032.606 where: short stacking energy: -873.045 Base-Backbone interact. energy: -0.566 local terms energy: -930.102057 where: bonds (distance) C4'-P energy: -167.165 bonds (distance) P-C4' energy: -167.687 flat angles C4'-P-C4' energy: -189.836 flat angles P-C4'-P energy: -146.685 tors. eta vs tors. theta energy: -258.729 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: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2802.705737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.705737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.705737 (E_RNA) where: Base-Base interactions energy: -1868.639 where: short stacking energy: -856.649 Base-Backbone interact. energy: -0.051 local terms energy: -934.015564 where: bonds (distance) C4'-P energy: -166.457 bonds (distance) P-C4' energy: -175.069 flat angles C4'-P-C4' energy: -196.084 flat angles P-C4'-P energy: -139.503 tors. eta vs tors. theta energy: -256.903 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: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2723.735844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.735844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.735844 (E_RNA) where: Base-Base interactions energy: -1832.409 where: short stacking energy: -796.140 Base-Backbone interact. energy: -6.476 local terms energy: -884.851154 where: bonds (distance) C4'-P energy: -163.849 bonds (distance) P-C4' energy: -162.107 flat angles C4'-P-C4' energy: -196.405 flat angles P-C4'-P energy: -144.148 tors. eta vs tors. theta energy: -218.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2233.681297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.681297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.681297 (E_RNA) where: Base-Base interactions energy: -1496.567 where: short stacking energy: -655.967 Base-Backbone interact. energy: -0.285 local terms energy: -736.829248 where: bonds (distance) C4'-P energy: -136.119 bonds (distance) P-C4' energy: -172.562 flat angles C4'-P-C4' energy: -154.499 flat angles P-C4'-P energy: -117.657 tors. eta vs tors. theta energy: -155.991 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: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2034.412908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.412908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.412908 (E_RNA) where: Base-Base interactions energy: -1343.607 where: short stacking energy: -607.453 Base-Backbone interact. energy: -2.784 local terms energy: -688.021440 where: bonds (distance) C4'-P energy: -148.827 bonds (distance) P-C4' energy: -163.664 flat angles C4'-P-C4' energy: -141.234 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -136.190 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1647.858943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.858943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.858943 (E_RNA) where: Base-Base interactions energy: -1014.983 where: short stacking energy: -484.299 Base-Backbone interact. energy: -1.668 local terms energy: -631.208668 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -159.650 flat angles C4'-P-C4' energy: -160.375 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -79.179 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: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1205.172515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.172515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.172515 (E_RNA) where: Base-Base interactions energy: -700.521 where: short stacking energy: -360.097 Base-Backbone interact. energy: 0.774 local terms energy: -505.425759 where: bonds (distance) C4'-P energy: -125.660 bonds (distance) P-C4' energy: -148.334 flat angles C4'-P-C4' energy: -139.280 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -16.085 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: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1015.915496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.915496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.915496 (E_RNA) where: Base-Base interactions energy: -521.922 where: short stacking energy: -297.051 Base-Backbone interact. energy: 6.071 local terms energy: -500.064032 where: bonds (distance) C4'-P energy: -136.642 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -136.612 flat angles P-C4'-P energy: -70.373 tors. eta vs tors. theta energy: -9.580 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: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3236.591692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.591692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.591692 (E_RNA) where: Base-Base interactions energy: -2224.015 where: short stacking energy: -935.516 Base-Backbone interact. energy: -4.950 local terms energy: -1007.626743 where: bonds (distance) C4'-P energy: -190.790 bonds (distance) P-C4' energy: -188.583 flat angles C4'-P-C4' energy: -203.619 flat angles P-C4'-P energy: -144.191 tors. eta vs tors. theta energy: -280.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -3130.417092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.417092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.417092 (E_RNA) where: Base-Base interactions energy: -2161.658 where: short stacking energy: -927.820 Base-Backbone interact. energy: -5.069 local terms energy: -963.690130 where: bonds (distance) C4'-P energy: -180.084 bonds (distance) P-C4' energy: -173.845 flat angles C4'-P-C4' energy: -208.402 flat angles P-C4'-P energy: -133.588 tors. eta vs tors. theta energy: -267.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2956.815074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.815074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.815074 (E_RNA) where: Base-Base interactions energy: -2035.264 where: short stacking energy: -895.085 Base-Backbone interact. energy: -2.100 local terms energy: -919.451031 where: bonds (distance) C4'-P energy: -169.369 bonds (distance) P-C4' energy: -165.511 flat angles C4'-P-C4' energy: -195.761 flat angles P-C4'-P energy: -132.838 tors. eta vs tors. theta energy: -255.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2793.818536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.818536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.818536 (E_RNA) where: Base-Base interactions energy: -1913.117 where: short stacking energy: -895.593 Base-Backbone interact. energy: -4.492 local terms energy: -876.209800 where: bonds (distance) C4'-P energy: -160.579 bonds (distance) P-C4' energy: -176.567 flat angles C4'-P-C4' energy: -191.510 flat angles P-C4'-P energy: -108.134 tors. eta vs tors. theta energy: -239.419 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: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2683.168901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.168901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.168901 (E_RNA) where: Base-Base interactions energy: -1840.829 where: short stacking energy: -809.148 Base-Backbone interact. energy: 2.288 local terms energy: -844.627667 where: bonds (distance) C4'-P energy: -157.308 bonds (distance) P-C4' energy: -161.694 flat angles C4'-P-C4' energy: -190.470 flat angles P-C4'-P energy: -123.298 tors. eta vs tors. theta energy: -211.859 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: 243 Temperature: 1.150000 Total energy: -2195.689814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.689814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.689814 (E_RNA) where: Base-Base interactions energy: -1448.232 where: short stacking energy: -630.207 Base-Backbone interact. energy: 6.235 local terms energy: -753.692563 where: bonds (distance) C4'-P energy: -150.753 bonds (distance) P-C4' energy: -166.542 flat angles C4'-P-C4' energy: -174.585 flat angles P-C4'-P energy: -117.260 tors. eta vs tors. theta energy: -144.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2008.028841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.028841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.028841 (E_RNA) where: Base-Base interactions energy: -1297.547 where: short stacking energy: -587.273 Base-Backbone interact. energy: 4.541 local terms energy: -715.022221 where: bonds (distance) C4'-P energy: -159.965 bonds (distance) P-C4' energy: -148.204 flat angles C4'-P-C4' energy: -157.795 flat angles P-C4'-P energy: -112.491 tors. eta vs tors. theta energy: -136.568 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: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1712.067075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.067075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.067075 (E_RNA) where: Base-Base interactions energy: -1068.519 where: short stacking energy: -509.576 Base-Backbone interact. energy: 1.377 local terms energy: -644.924242 where: bonds (distance) C4'-P energy: -161.924 bonds (distance) P-C4' energy: -154.017 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -96.495 tors. eta vs tors. theta energy: -85.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1295.564484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.564484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.564484 (E_RNA) where: Base-Base interactions energy: -760.716 where: short stacking energy: -406.115 Base-Backbone interact. energy: 5.658 local terms energy: -540.506482 where: bonds (distance) C4'-P energy: -129.325 bonds (distance) P-C4' energy: -161.340 flat angles C4'-P-C4' energy: -144.553 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -46.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1052.629279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.629279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.629279 (E_RNA) where: Base-Base interactions energy: -531.296 where: short stacking energy: -284.263 Base-Backbone interact. energy: 1.782 local terms energy: -523.115662 where: bonds (distance) C4'-P energy: -144.750 bonds (distance) P-C4' energy: -159.639 flat angles C4'-P-C4' energy: -126.295 flat angles P-C4'-P energy: -80.753 tors. eta vs tors. theta energy: -11.679 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: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3202.251206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.251206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.251206 (E_RNA) where: Base-Base interactions energy: -2228.766 where: short stacking energy: -942.515 Base-Backbone interact. energy: -3.351 local terms energy: -970.133737 where: bonds (distance) C4'-P energy: -177.448 bonds (distance) P-C4' energy: -173.002 flat angles C4'-P-C4' energy: -211.259 flat angles P-C4'-P energy: -125.792 tors. eta vs tors. theta energy: -282.632 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: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -3143.914725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.914725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.914725 (E_RNA) where: Base-Base interactions energy: -2169.657 where: short stacking energy: -959.158 Base-Backbone interact. energy: -3.095 local terms energy: -971.162241 where: bonds (distance) C4'-P energy: -172.786 bonds (distance) P-C4' energy: -164.799 flat angles C4'-P-C4' energy: -204.889 flat angles P-C4'-P energy: -138.465 tors. eta vs tors. theta energy: -290.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2901.567337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.567337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.567337 (E_RNA) where: Base-Base interactions energy: -1966.711 where: short stacking energy: -870.048 Base-Backbone interact. energy: 0.639 local terms energy: -935.495650 where: bonds (distance) C4'-P energy: -163.893 bonds (distance) P-C4' energy: -188.111 flat angles C4'-P-C4' energy: -205.587 flat angles P-C4'-P energy: -138.929 tors. eta vs tors. theta energy: -238.976 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: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2794.937767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.937767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.937767 (E_RNA) where: Base-Base interactions energy: -1899.343 where: short stacking energy: -854.475 Base-Backbone interact. energy: -2.518 local terms energy: -893.076604 where: bonds (distance) C4'-P energy: -179.033 bonds (distance) P-C4' energy: -172.338 flat angles C4'-P-C4' energy: -183.650 flat angles P-C4'-P energy: -119.044 tors. eta vs tors. theta energy: -239.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2593.146772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.146772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.146772 (E_RNA) where: Base-Base interactions energy: -1760.241 where: short stacking energy: -773.416 Base-Backbone interact. energy: 3.236 local terms energy: -836.141193 where: bonds (distance) C4'-P energy: -155.580 bonds (distance) P-C4' energy: -165.206 flat angles C4'-P-C4' energy: -197.594 flat angles P-C4'-P energy: -114.155 tors. eta vs tors. theta energy: -203.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2263.131927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.131927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.131927 (E_RNA) where: Base-Base interactions energy: -1500.841 where: short stacking energy: -651.046 Base-Backbone interact. energy: -0.558 local terms energy: -761.732425 where: bonds (distance) C4'-P energy: -187.120 bonds (distance) P-C4' energy: -160.217 flat angles C4'-P-C4' energy: -159.491 flat angles P-C4'-P energy: -89.062 tors. eta vs tors. theta energy: -165.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2007.703093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.703093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.703093 (E_RNA) where: Base-Base interactions energy: -1293.123 where: short stacking energy: -608.326 Base-Backbone interact. energy: 0.799 local terms energy: -715.378846 where: bonds (distance) C4'-P energy: -141.291 bonds (distance) P-C4' energy: -164.288 flat angles C4'-P-C4' energy: -161.791 flat angles P-C4'-P energy: -103.165 tors. eta vs tors. theta energy: -144.843 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: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1663.234667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.234667 (E_RNA) where: Base-Base interactions energy: -1030.942 where: short stacking energy: -457.482 Base-Backbone interact. energy: -2.063 local terms energy: -630.230269 where: bonds (distance) C4'-P energy: -169.470 bonds (distance) P-C4' energy: -158.536 flat angles C4'-P-C4' energy: -151.431 flat angles P-C4'-P energy: -84.877 tors. eta vs tors. theta energy: -65.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1339.694106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.694106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.694106 (E_RNA) where: Base-Base interactions energy: -768.318 where: short stacking energy: -387.546 Base-Backbone interact. energy: 5.342 local terms energy: -576.718596 where: bonds (distance) C4'-P energy: -127.097 bonds (distance) P-C4' energy: -153.889 flat angles C4'-P-C4' energy: -149.789 flat angles P-C4'-P energy: -98.916 tors. eta vs tors. theta energy: -47.027 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: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1000.889773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.889773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.889773 (E_RNA) where: Base-Base interactions energy: -515.513 where: short stacking energy: -307.099 Base-Backbone interact. energy: 2.076 local terms energy: -487.453006 where: bonds (distance) C4'-P energy: -138.598 bonds (distance) P-C4' energy: -141.199 flat angles C4'-P-C4' energy: -149.588 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: 3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3199.629628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.629628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.629628 (E_RNA) where: Base-Base interactions energy: -2197.916 where: short stacking energy: -942.622 Base-Backbone interact. energy: -5.430 local terms energy: -996.282898 where: bonds (distance) C4'-P energy: -189.676 bonds (distance) P-C4' energy: -181.510 flat angles C4'-P-C4' energy: -204.152 flat angles P-C4'-P energy: -146.929 tors. eta vs tors. theta energy: -274.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -3094.545923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.545923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.545923 (E_RNA) where: Base-Base interactions energy: -2159.228 where: short stacking energy: -900.258 Base-Backbone interact. energy: -1.759 local terms energy: -933.559379 where: bonds (distance) C4'-P energy: -151.449 bonds (distance) P-C4' energy: -175.731 flat angles C4'-P-C4' energy: -202.497 flat angles P-C4'-P energy: -140.323 tors. eta vs tors. theta energy: -263.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2929.390387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.390387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.390387 (E_RNA) where: Base-Base interactions energy: -2011.297 where: short stacking energy: -881.981 Base-Backbone interact. energy: -6.168 local terms energy: -911.925946 where: bonds (distance) C4'-P energy: -179.356 bonds (distance) P-C4' energy: -165.836 flat angles C4'-P-C4' energy: -200.332 flat angles P-C4'-P energy: -126.883 tors. eta vs tors. theta energy: -239.521 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: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2816.702253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.702253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.702253 (E_RNA) where: Base-Base interactions energy: -1860.393 where: short stacking energy: -849.116 Base-Backbone interact. energy: -5.232 local terms energy: -951.076977 where: bonds (distance) C4'-P energy: -186.455 bonds (distance) P-C4' energy: -177.229 flat angles C4'-P-C4' energy: -209.273 flat angles P-C4'-P energy: -126.070 tors. eta vs tors. theta energy: -252.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2660.196786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.196786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.196786 (E_RNA) where: Base-Base interactions energy: -1796.343 where: short stacking energy: -786.704 Base-Backbone interact. energy: -6.144 local terms energy: -857.709856 where: bonds (distance) C4'-P energy: -165.151 bonds (distance) P-C4' energy: -170.127 flat angles C4'-P-C4' energy: -185.413 flat angles P-C4'-P energy: -122.583 tors. eta vs tors. theta energy: -214.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2397.870888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.870888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.870888 (E_RNA) where: Base-Base interactions energy: -1618.598 where: short stacking energy: -722.059 Base-Backbone interact. energy: -1.150 local terms energy: -778.122651 where: bonds (distance) C4'-P energy: -173.820 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -160.068 flat angles P-C4'-P energy: -117.374 tors. eta vs tors. theta energy: -176.328 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: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2021.037769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.037769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.037769 (E_RNA) where: Base-Base interactions energy: -1320.246 where: short stacking energy: -596.978 Base-Backbone interact. energy: -1.765 local terms energy: -699.027565 where: bonds (distance) C4'-P energy: -147.271 bonds (distance) P-C4' energy: -157.728 flat angles C4'-P-C4' energy: -152.488 flat angles P-C4'-P energy: -109.040 tors. eta vs tors. theta energy: -132.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1614.457100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.457100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.457100 (E_RNA) where: Base-Base interactions energy: -1023.586 where: short stacking energy: -487.163 Base-Backbone interact. energy: 1.375 local terms energy: -592.245904 where: bonds (distance) C4'-P energy: -111.982 bonds (distance) P-C4' energy: -152.522 flat angles C4'-P-C4' energy: -156.133 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -96.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1278.159899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.159899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.159899 (E_RNA) where: Base-Base interactions energy: -753.303 where: short stacking energy: -384.495 Base-Backbone interact. energy: 2.345 local terms energy: -527.201867 where: bonds (distance) C4'-P energy: -130.055 bonds (distance) P-C4' energy: -163.129 flat angles C4'-P-C4' energy: -130.399 flat angles P-C4'-P energy: -68.415 tors. eta vs tors. theta energy: -35.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1032.765088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.765088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.765088 (E_RNA) where: Base-Base interactions energy: -548.941 where: short stacking energy: -320.067 Base-Backbone interact. energy: -3.928 local terms energy: -479.895727 where: bonds (distance) C4'-P energy: -112.295 bonds (distance) P-C4' energy: -162.797 flat angles C4'-P-C4' energy: -114.552 flat angles P-C4'-P energy: -86.693 tors. eta vs tors. theta energy: -3.558 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: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3219.970972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.970972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.970972 (E_RNA) where: Base-Base interactions energy: -2247.118 where: short stacking energy: -961.277 Base-Backbone interact. energy: -5.185 local terms energy: -967.667298 where: bonds (distance) C4'-P energy: -172.433 bonds (distance) P-C4' energy: -182.459 flat angles C4'-P-C4' energy: -207.754 flat angles P-C4'-P energy: -129.805 tors. eta vs tors. theta energy: -275.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -3112.561990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.561990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.561990 (E_RNA) where: Base-Base interactions energy: -2153.292 where: short stacking energy: -929.094 Base-Backbone interact. energy: -6.029 local terms energy: -953.240601 where: bonds (distance) C4'-P energy: -168.498 bonds (distance) P-C4' energy: -173.088 flat angles C4'-P-C4' energy: -209.856 flat angles P-C4'-P energy: -127.730 tors. eta vs tors. theta energy: -274.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2950.641982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.641982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.641982 (E_RNA) where: Base-Base interactions energy: -2007.729 where: short stacking energy: -883.628 Base-Backbone interact. energy: -5.841 local terms energy: -937.072250 where: bonds (distance) C4'-P energy: -172.286 bonds (distance) P-C4' energy: -161.938 flat angles C4'-P-C4' energy: -216.046 flat angles P-C4'-P energy: -126.159 tors. eta vs tors. theta energy: -260.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2812.369254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.369254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.369254 (E_RNA) where: Base-Base interactions energy: -1926.739 where: short stacking energy: -841.929 Base-Backbone interact. energy: -3.727 local terms energy: -881.903464 where: bonds (distance) C4'-P energy: -171.683 bonds (distance) P-C4' energy: -150.418 flat angles C4'-P-C4' energy: -186.193 flat angles P-C4'-P energy: -126.289 tors. eta vs tors. theta energy: -247.321 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2640.317343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.317343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.317343 (E_RNA) where: Base-Base interactions energy: -1786.780 where: short stacking energy: -778.511 Base-Backbone interact. energy: -6.054 local terms energy: -847.483541 where: bonds (distance) C4'-P energy: -157.209 bonds (distance) P-C4' energy: -152.316 flat angles C4'-P-C4' energy: -189.469 flat angles P-C4'-P energy: -138.467 tors. eta vs tors. theta energy: -210.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2390.295720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.295720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.295720 (E_RNA) where: Base-Base interactions energy: -1637.325 where: short stacking energy: -714.735 Base-Backbone interact. energy: 5.605 local terms energy: -758.575652 where: bonds (distance) C4'-P energy: -133.466 bonds (distance) P-C4' energy: -170.065 flat angles C4'-P-C4' energy: -182.057 flat angles P-C4'-P energy: -110.729 tors. eta vs tors. theta energy: -162.258 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: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1970.680840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.680840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.680840 (E_RNA) where: Base-Base interactions energy: -1269.353 where: short stacking energy: -579.859 Base-Backbone interact. energy: -1.263 local terms energy: -700.064822 where: bonds (distance) C4'-P energy: -166.578 bonds (distance) P-C4' energy: -146.375 flat angles C4'-P-C4' energy: -161.325 flat angles P-C4'-P energy: -98.162 tors. eta vs tors. theta energy: -127.624 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1703.400113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.400113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.400113 (E_RNA) where: Base-Base interactions energy: -1083.191 where: short stacking energy: -512.331 Base-Backbone interact. energy: -4.304 local terms energy: -615.906077 where: bonds (distance) C4'-P energy: -132.448 bonds (distance) P-C4' energy: -169.275 flat angles C4'-P-C4' energy: -152.144 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: -102.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1236.147849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.147849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.147849 (E_RNA) where: Base-Base interactions energy: -668.191 where: short stacking energy: -360.072 Base-Backbone interact. energy: 2.948 local terms energy: -570.904567 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -171.136 flat angles C4'-P-C4' energy: -148.916 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: -30.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -972.101312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.101312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.101312 (E_RNA) where: Base-Base interactions energy: -474.724 where: short stacking energy: -260.089 Base-Backbone interact. energy: 1.386 local terms energy: -498.763304 where: bonds (distance) C4'-P energy: -143.851 bonds (distance) P-C4' energy: -161.189 flat angles C4'-P-C4' energy: -138.389 flat angles P-C4'-P energy: -67.910 tors. eta vs tors. theta energy: 12.575 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: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3231.587379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.587379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.587379 (E_RNA) where: Base-Base interactions energy: -2255.991 where: short stacking energy: -968.595 Base-Backbone interact. energy: -5.059 local terms energy: -970.536936 where: bonds (distance) C4'-P energy: -182.565 bonds (distance) P-C4' energy: -168.518 flat angles C4'-P-C4' energy: -203.847 flat angles P-C4'-P energy: -139.660 tors. eta vs tors. theta energy: -275.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -3144.090885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.090885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.090885 (E_RNA) where: Base-Base interactions energy: -2187.513 where: short stacking energy: -952.067 Base-Backbone interact. energy: -6.028 local terms energy: -950.549804 where: bonds (distance) C4'-P energy: -174.127 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -204.177 flat angles P-C4'-P energy: -141.340 tors. eta vs tors. theta energy: -269.667 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: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2932.123563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.123563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.123563 (E_RNA) where: Base-Base interactions energy: -2000.698 where: short stacking energy: -874.777 Base-Backbone interact. energy: -1.699 local terms energy: -929.726157 where: bonds (distance) C4'-P energy: -162.144 bonds (distance) P-C4' energy: -182.513 flat angles C4'-P-C4' energy: -203.697 flat angles P-C4'-P energy: -124.494 tors. eta vs tors. theta energy: -256.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2823.498480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.498480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.498480 (E_RNA) where: Base-Base interactions energy: -1931.177 where: short stacking energy: -850.461 Base-Backbone interact. energy: -1.358 local terms energy: -890.963520 where: bonds (distance) C4'-P energy: -156.456 bonds (distance) P-C4' energy: -169.812 flat angles C4'-P-C4' energy: -205.617 flat angles P-C4'-P energy: -117.120 tors. eta vs tors. theta energy: -241.957 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: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2633.983418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.983418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.983418 (E_RNA) where: Base-Base interactions energy: -1804.323 where: short stacking energy: -775.061 Base-Backbone interact. energy: -6.378 local terms energy: -823.282225 where: bonds (distance) C4'-P energy: -147.751 bonds (distance) P-C4' energy: -184.066 flat angles C4'-P-C4' energy: -175.079 flat angles P-C4'-P energy: -116.149 tors. eta vs tors. theta energy: -200.237 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: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2421.992017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.992017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.992017 (E_RNA) where: Base-Base interactions energy: -1661.401 where: short stacking energy: -715.573 Base-Backbone interact. energy: -1.844 local terms energy: -758.746123 where: bonds (distance) C4'-P energy: -123.902 bonds (distance) P-C4' energy: -149.585 flat angles C4'-P-C4' energy: -194.045 flat angles P-C4'-P energy: -110.798 tors. eta vs tors. theta energy: -180.416 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: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2065.230944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.230944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.230944 (E_RNA) where: Base-Base interactions energy: -1308.640 where: short stacking energy: -581.114 Base-Backbone interact. energy: -1.127 local terms energy: -755.463884 where: bonds (distance) C4'-P energy: -146.697 bonds (distance) P-C4' energy: -167.475 flat angles C4'-P-C4' energy: -186.442 flat angles P-C4'-P energy: -114.136 tors. eta vs tors. theta energy: -140.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1732.238245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.238245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.238245 (E_RNA) where: Base-Base interactions energy: -1105.848 where: short stacking energy: -530.415 Base-Backbone interact. energy: 1.577 local terms energy: -627.967045 where: bonds (distance) C4'-P energy: -140.434 bonds (distance) P-C4' energy: -144.723 flat angles C4'-P-C4' energy: -146.765 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -115.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1290.294546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.294546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.294546 (E_RNA) where: Base-Base interactions energy: -743.983 where: short stacking energy: -410.338 Base-Backbone interact. energy: -1.017 local terms energy: -545.294104 where: bonds (distance) C4'-P energy: -134.747 bonds (distance) P-C4' energy: -156.558 flat angles C4'-P-C4' energy: -119.656 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -40.948 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: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -976.290157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.290157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.290157 (E_RNA) where: Base-Base interactions energy: -497.747 where: short stacking energy: -266.362 Base-Backbone interact. energy: 1.451 local terms energy: -479.994241 where: bonds (distance) C4'-P energy: -146.604 bonds (distance) P-C4' energy: -137.884 flat angles C4'-P-C4' energy: -142.143 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3230.999756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.999756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.999756 (E_RNA) where: Base-Base interactions energy: -2234.594 where: short stacking energy: -960.235 Base-Backbone interact. energy: 1.896 local terms energy: -998.301986 where: bonds (distance) C4'-P energy: -203.159 bonds (distance) P-C4' energy: -181.686 flat angles C4'-P-C4' energy: -197.128 flat angles P-C4'-P energy: -137.279 tors. eta vs tors. theta energy: -279.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -3117.145511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.145511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.145511 (E_RNA) where: Base-Base interactions energy: -2122.289 where: short stacking energy: -919.555 Base-Backbone interact. energy: -5.690 local terms energy: -989.167166 where: bonds (distance) C4'-P energy: -192.817 bonds (distance) P-C4' energy: -188.030 flat angles C4'-P-C4' energy: -212.532 flat angles P-C4'-P energy: -128.514 tors. eta vs tors. theta energy: -267.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2961.579292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.579292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.579292 (E_RNA) where: Base-Base interactions energy: -2023.921 where: short stacking energy: -887.420 Base-Backbone interact. energy: -5.714 local terms energy: -931.944091 where: bonds (distance) C4'-P energy: -168.099 bonds (distance) P-C4' energy: -195.399 flat angles C4'-P-C4' energy: -189.924 flat angles P-C4'-P energy: -128.803 tors. eta vs tors. theta energy: -249.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2829.945620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.945620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.945620 (E_RNA) where: Base-Base interactions energy: -1921.843 where: short stacking energy: -847.744 Base-Backbone interact. energy: -3.441 local terms energy: -904.661570 where: bonds (distance) C4'-P energy: -180.140 bonds (distance) P-C4' energy: -151.991 flat angles C4'-P-C4' energy: -200.673 flat angles P-C4'-P energy: -126.012 tors. eta vs tors. theta energy: -245.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2593.270601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.270601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.270601 (E_RNA) where: Base-Base interactions energy: -1735.597 where: short stacking energy: -781.659 Base-Backbone interact. energy: -2.594 local terms energy: -855.079149 where: bonds (distance) C4'-P energy: -160.809 bonds (distance) P-C4' energy: -192.308 flat angles C4'-P-C4' energy: -184.028 flat angles P-C4'-P energy: -117.260 tors. eta vs tors. theta energy: -200.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2466.180908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.180908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.180908 (E_RNA) where: Base-Base interactions energy: -1643.831 where: short stacking energy: -712.335 Base-Backbone interact. energy: -0.712 local terms energy: -821.637977 where: bonds (distance) C4'-P energy: -151.133 bonds (distance) P-C4' energy: -169.769 flat angles C4'-P-C4' energy: -179.672 flat angles P-C4'-P energy: -112.070 tors. eta vs tors. theta energy: -208.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1936.409627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.409627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.409627 (E_RNA) where: Base-Base interactions energy: -1244.547 where: short stacking energy: -567.000 Base-Backbone interact. energy: 0.361 local terms energy: -692.223603 where: bonds (distance) C4'-P energy: -160.476 bonds (distance) P-C4' energy: -158.565 flat angles C4'-P-C4' energy: -170.891 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -108.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1748.361805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.361805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.361805 (E_RNA) where: Base-Base interactions energy: -1115.633 where: short stacking energy: -515.145 Base-Backbone interact. energy: 0.866 local terms energy: -633.594283 where: bonds (distance) C4'-P energy: -139.550 bonds (distance) P-C4' energy: -135.991 flat angles C4'-P-C4' energy: -163.219 flat angles P-C4'-P energy: -98.620 tors. eta vs tors. theta energy: -96.214 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: 9, replica: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1277.011709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.011709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.011709 (E_RNA) where: Base-Base interactions energy: -726.968 where: short stacking energy: -346.409 Base-Backbone interact. energy: 4.459 local terms energy: -554.502885 where: bonds (distance) C4'-P energy: -147.237 bonds (distance) P-C4' energy: -156.274 flat angles C4'-P-C4' energy: -142.657 flat angles P-C4'-P energy: -87.312 tors. eta vs tors. theta energy: -21.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -968.349800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.349800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.349800 (E_RNA) where: Base-Base interactions energy: -475.888 where: short stacking energy: -271.013 Base-Backbone interact. energy: 4.260 local terms energy: -496.722562 where: bonds (distance) C4'-P energy: -142.929 bonds (distance) P-C4' energy: -147.436 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -81.802 tors. eta vs tors. theta energy: 14.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3245.976211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.976211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.976211 (E_RNA) where: Base-Base interactions energy: -2257.081 where: short stacking energy: -973.098 Base-Backbone interact. energy: -6.615 local terms energy: -982.279815 where: bonds (distance) C4'-P energy: -185.205 bonds (distance) P-C4' energy: -176.888 flat angles C4'-P-C4' energy: -206.071 flat angles P-C4'-P energy: -138.389 tors. eta vs tors. theta energy: -275.726 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: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -3123.680869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.680869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.680869 (E_RNA) where: Base-Base interactions energy: -2135.584 where: short stacking energy: -964.038 Base-Backbone interact. energy: -4.985 local terms energy: -983.112130 where: bonds (distance) C4'-P energy: -191.469 bonds (distance) P-C4' energy: -173.814 flat angles C4'-P-C4' energy: -212.048 flat angles P-C4'-P energy: -134.018 tors. eta vs tors. theta energy: -271.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2957.280133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.280133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.280133 (E_RNA) where: Base-Base interactions energy: -2030.996 where: short stacking energy: -900.026 Base-Backbone interact. energy: -3.963 local terms energy: -922.320984 where: bonds (distance) C4'-P energy: -173.741 bonds (distance) P-C4' energy: -167.632 flat angles C4'-P-C4' energy: -190.037 flat angles P-C4'-P energy: -130.392 tors. eta vs tors. theta energy: -260.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2794.083284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.083284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.083284 (E_RNA) where: Base-Base interactions energy: -1892.757 where: short stacking energy: -831.647 Base-Backbone interact. energy: -4.150 local terms energy: -897.175716 where: bonds (distance) C4'-P energy: -159.321 bonds (distance) P-C4' energy: -176.110 flat angles C4'-P-C4' energy: -194.333 flat angles P-C4'-P energy: -130.901 tors. eta vs tors. theta energy: -236.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2591.193495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.193495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.193495 (E_RNA) where: Base-Base interactions energy: -1760.441 where: short stacking energy: -771.127 Base-Backbone interact. energy: 1.862 local terms energy: -832.613795 where: bonds (distance) C4'-P energy: -155.307 bonds (distance) P-C4' energy: -167.573 flat angles C4'-P-C4' energy: -192.367 flat angles P-C4'-P energy: -121.455 tors. eta vs tors. theta energy: -195.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2457.033406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.033406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.033406 (E_RNA) where: Base-Base interactions energy: -1655.411 where: short stacking energy: -745.350 Base-Backbone interact. energy: -6.001 local terms energy: -795.620722 where: bonds (distance) C4'-P energy: -154.131 bonds (distance) P-C4' energy: -155.376 flat angles C4'-P-C4' energy: -179.408 flat angles P-C4'-P energy: -106.159 tors. eta vs tors. theta energy: -200.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2012.903284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.903284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.903284 (E_RNA) where: Base-Base interactions energy: -1297.491 where: short stacking energy: -592.335 Base-Backbone interact. energy: -2.733 local terms energy: -712.679195 where: bonds (distance) C4'-P energy: -181.130 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -172.030 flat angles P-C4'-P energy: -100.980 tors. eta vs tors. theta energy: -111.762 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: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1673.070002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.070002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.070002 (E_RNA) where: Base-Base interactions energy: -1105.299 where: short stacking energy: -517.690 Base-Backbone interact. energy: -2.304 local terms energy: -565.467631 where: bonds (distance) C4'-P energy: -149.186 bonds (distance) P-C4' energy: -137.056 flat angles C4'-P-C4' energy: -137.238 flat angles P-C4'-P energy: -51.818 tors. eta vs tors. theta energy: -90.169 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: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1265.902259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.902259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.902259 (E_RNA) where: Base-Base interactions energy: -731.273 where: short stacking energy: -349.202 Base-Backbone interact. energy: -0.221 local terms energy: -534.408097 where: bonds (distance) C4'-P energy: -109.276 bonds (distance) P-C4' energy: -176.019 flat angles C4'-P-C4' energy: -140.138 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -31.810 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: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -977.127691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.127691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.127691 (E_RNA) where: Base-Base interactions energy: -515.569 where: short stacking energy: -291.603 Base-Backbone interact. energy: -0.687 local terms energy: -460.871814 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -154.268 flat angles C4'-P-C4' energy: -136.689 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: 21.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3252.342000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.342000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.342000 (E_RNA) where: Base-Base interactions energy: -2265.613 where: short stacking energy: -949.027 Base-Backbone interact. energy: -7.691 local terms energy: -979.038144 where: bonds (distance) C4'-P energy: -180.317 bonds (distance) P-C4' energy: -177.206 flat angles C4'-P-C4' energy: -212.152 flat angles P-C4'-P energy: -135.340 tors. eta vs tors. theta energy: -274.024 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: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -3128.649999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.649999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.649999 (E_RNA) where: Base-Base interactions energy: -2150.783 where: short stacking energy: -948.270 Base-Backbone interact. energy: -0.940 local terms energy: -976.927551 where: bonds (distance) C4'-P energy: -183.504 bonds (distance) P-C4' energy: -180.503 flat angles C4'-P-C4' energy: -208.087 flat angles P-C4'-P energy: -137.631 tors. eta vs tors. theta energy: -267.202 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: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2952.110147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.110147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.110147 (E_RNA) where: Base-Base interactions energy: -2066.477 where: short stacking energy: -898.522 Base-Backbone interact. energy: -1.921 local terms energy: -883.712150 where: bonds (distance) C4'-P energy: -155.436 bonds (distance) P-C4' energy: -150.303 flat angles C4'-P-C4' energy: -190.329 flat angles P-C4'-P energy: -125.404 tors. eta vs tors. theta energy: -262.240 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: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2854.155051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.155051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.155051 (E_RNA) where: Base-Base interactions energy: -1984.578 where: short stacking energy: -890.690 Base-Backbone interact. energy: -0.636 local terms energy: -868.940551 where: bonds (distance) C4'-P energy: -150.874 bonds (distance) P-C4' energy: -155.909 flat angles C4'-P-C4' energy: -204.332 flat angles P-C4'-P energy: -112.289 tors. eta vs tors. theta energy: -245.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2603.476062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.476062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.476062 (E_RNA) where: Base-Base interactions energy: -1798.721 where: short stacking energy: -778.755 Base-Backbone interact. energy: 3.574 local terms energy: -808.329415 where: bonds (distance) C4'-P energy: -163.892 bonds (distance) P-C4' energy: -161.954 flat angles C4'-P-C4' energy: -190.885 flat angles P-C4'-P energy: -100.773 tors. eta vs tors. theta energy: -190.825 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: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2479.369468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.369468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.369468 (E_RNA) where: Base-Base interactions energy: -1675.841 where: short stacking energy: -744.961 Base-Backbone interact. energy: 0.863 local terms energy: -804.391743 where: bonds (distance) C4'-P energy: -132.287 bonds (distance) P-C4' energy: -181.892 flat angles C4'-P-C4' energy: -189.418 flat angles P-C4'-P energy: -105.096 tors. eta vs tors. theta energy: -195.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2003.316821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.316821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.316821 (E_RNA) where: Base-Base interactions energy: -1310.671 where: short stacking energy: -611.099 Base-Backbone interact. energy: 0.092 local terms energy: -692.737798 where: bonds (distance) C4'-P energy: -161.340 bonds (distance) P-C4' energy: -144.944 flat angles C4'-P-C4' energy: -163.979 flat angles P-C4'-P energy: -100.330 tors. eta vs tors. theta energy: -122.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1769.845344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.845344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.845344 (E_RNA) where: Base-Base interactions energy: -1113.580 where: short stacking energy: -516.469 Base-Backbone interact. energy: -1.086 local terms energy: -655.179461 where: bonds (distance) C4'-P energy: -144.294 bonds (distance) P-C4' energy: -161.499 flat angles C4'-P-C4' energy: -153.969 flat angles P-C4'-P energy: -77.073 tors. eta vs tors. theta energy: -118.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1245.275753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.275753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.275753 (E_RNA) where: Base-Base interactions energy: -719.936 where: short stacking energy: -372.819 Base-Backbone interact. energy: -1.826 local terms energy: -523.513467 where: bonds (distance) C4'-P energy: -117.928 bonds (distance) P-C4' energy: -159.039 flat angles C4'-P-C4' energy: -128.015 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -50.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1078.731259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.731259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.731259 (E_RNA) where: Base-Base interactions energy: -529.233 where: short stacking energy: -298.120 Base-Backbone interact. energy: 0.269 local terms energy: -549.766907 where: bonds (distance) C4'-P energy: -162.098 bonds (distance) P-C4' energy: -163.636 flat angles C4'-P-C4' energy: -144.653 flat angles P-C4'-P energy: -78.198 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3254.683007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.683007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.683007 (E_RNA) where: Base-Base interactions energy: -2253.693 where: short stacking energy: -946.244 Base-Backbone interact. energy: -8.916 local terms energy: -992.074470 where: bonds (distance) C4'-P energy: -193.897 bonds (distance) P-C4' energy: -183.669 flat angles C4'-P-C4' energy: -209.995 flat angles P-C4'-P energy: -138.121 tors. eta vs tors. theta energy: -266.392 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: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -3130.703544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.703544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.703544 (E_RNA) where: Base-Base interactions energy: -2179.969 where: short stacking energy: -946.028 Base-Backbone interact. energy: -1.901 local terms energy: -948.833697 where: bonds (distance) C4'-P energy: -176.653 bonds (distance) P-C4' energy: -172.461 flat angles C4'-P-C4' energy: -208.670 flat angles P-C4'-P energy: -120.043 tors. eta vs tors. theta energy: -271.006 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: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2947.466729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.466729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.466729 (E_RNA) where: Base-Base interactions energy: -2050.761 where: short stacking energy: -893.423 Base-Backbone interact. energy: -3.177 local terms energy: -893.529083 where: bonds (distance) C4'-P energy: -163.674 bonds (distance) P-C4' energy: -163.411 flat angles C4'-P-C4' energy: -197.923 flat angles P-C4'-P energy: -135.664 tors. eta vs tors. theta energy: -232.857 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: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2822.408161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.408161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.408161 (E_RNA) where: Base-Base interactions energy: -1927.053 where: short stacking energy: -855.031 Base-Backbone interact. energy: -3.007 local terms energy: -892.348152 where: bonds (distance) C4'-P energy: -154.545 bonds (distance) P-C4' energy: -184.358 flat angles C4'-P-C4' energy: -190.743 flat angles P-C4'-P energy: -112.337 tors. eta vs tors. theta energy: -250.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2581.154850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.154850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.154850 (E_RNA) where: Base-Base interactions energy: -1755.353 where: short stacking energy: -758.350 Base-Backbone interact. energy: -3.485 local terms energy: -822.317031 where: bonds (distance) C4'-P energy: -164.778 bonds (distance) P-C4' energy: -169.213 flat angles C4'-P-C4' energy: -187.240 flat angles P-C4'-P energy: -121.963 tors. eta vs tors. theta energy: -179.123 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: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2321.621173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.621173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.621173 (E_RNA) where: Base-Base interactions energy: -1554.664 where: short stacking energy: -664.247 Base-Backbone interact. energy: -4.897 local terms energy: -762.060081 where: bonds (distance) C4'-P energy: -150.762 bonds (distance) P-C4' energy: -157.730 flat angles C4'-P-C4' energy: -178.990 flat angles P-C4'-P energy: -99.312 tors. eta vs tors. theta energy: -175.265 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1994.389871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.389871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.389871 (E_RNA) where: Base-Base interactions energy: -1320.091 where: short stacking energy: -588.375 Base-Backbone interact. energy: 1.822 local terms energy: -676.120943 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -155.082 flat angles C4'-P-C4' energy: -160.670 flat angles P-C4'-P energy: -96.117 tors. eta vs tors. theta energy: -125.666 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: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1782.270372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.270372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.270372 (E_RNA) where: Base-Base interactions energy: -1142.783 where: short stacking energy: -505.828 Base-Backbone interact. energy: -1.522 local terms energy: -637.965171 where: bonds (distance) C4'-P energy: -146.577 bonds (distance) P-C4' energy: -191.910 flat angles C4'-P-C4' energy: -123.597 flat angles P-C4'-P energy: -72.291 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: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1319.128438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.128438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.128438 (E_RNA) where: Base-Base interactions energy: -771.678 where: short stacking energy: -388.451 Base-Backbone interact. energy: -4.139 local terms energy: -543.311098 where: bonds (distance) C4'-P energy: -149.176 bonds (distance) P-C4' energy: -147.733 flat angles C4'-P-C4' energy: -141.822 flat angles P-C4'-P energy: -70.770 tors. eta vs tors. theta energy: -33.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -966.792643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.792643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.792643 (E_RNA) where: Base-Base interactions energy: -510.234 where: short stacking energy: -281.166 Base-Backbone interact. energy: -2.138 local terms energy: -454.420791 where: bonds (distance) C4'-P energy: -119.558 bonds (distance) P-C4' energy: -153.183 flat angles C4'-P-C4' energy: -122.746 flat angles P-C4'-P energy: -68.527 tors. eta vs tors. theta energy: 9.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3236.576035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.576035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.576035 (E_RNA) where: Base-Base interactions energy: -2252.991 where: short stacking energy: -959.605 Base-Backbone interact. energy: -8.504 local terms energy: -975.080864 where: bonds (distance) C4'-P energy: -172.580 bonds (distance) P-C4' energy: -158.755 flat angles C4'-P-C4' energy: -210.396 flat angles P-C4'-P energy: -151.146 tors. eta vs tors. theta energy: -282.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -3144.948568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.948568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.948568 (E_RNA) where: Base-Base interactions energy: -2155.797 where: short stacking energy: -954.227 Base-Backbone interact. energy: -0.608 local terms energy: -988.543551 where: bonds (distance) C4'-P energy: -187.781 bonds (distance) P-C4' energy: -186.571 flat angles C4'-P-C4' energy: -209.281 flat angles P-C4'-P energy: -135.722 tors. eta vs tors. theta energy: -269.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2909.788826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.788826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.788826 (E_RNA) where: Base-Base interactions energy: -2016.734 where: short stacking energy: -881.654 Base-Backbone interact. energy: -2.486 local terms energy: -890.568674 where: bonds (distance) C4'-P energy: -160.126 bonds (distance) P-C4' energy: -188.628 flat angles C4'-P-C4' energy: -195.091 flat angles P-C4'-P energy: -101.737 tors. eta vs tors. theta energy: -244.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2805.171973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.171973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.171973 (E_RNA) where: Base-Base interactions energy: -1888.457 where: short stacking energy: -838.502 Base-Backbone interact. energy: -2.958 local terms energy: -913.757609 where: bonds (distance) C4'-P energy: -169.483 bonds (distance) P-C4' energy: -164.749 flat angles C4'-P-C4' energy: -196.448 flat angles P-C4'-P energy: -139.742 tors. eta vs tors. theta energy: -243.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2594.995821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.995821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.995821 (E_RNA) where: Base-Base interactions energy: -1797.384 where: short stacking energy: -744.867 Base-Backbone interact. energy: 8.213 local terms energy: -805.824952 where: bonds (distance) C4'-P energy: -148.013 bonds (distance) P-C4' energy: -146.660 flat angles C4'-P-C4' energy: -176.927 flat angles P-C4'-P energy: -129.460 tors. eta vs tors. theta energy: -204.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2317.017666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.017666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.017666 (E_RNA) where: Base-Base interactions energy: -1536.819 where: short stacking energy: -705.376 Base-Backbone interact. energy: -4.891 local terms energy: -775.307799 where: bonds (distance) C4'-P energy: -161.167 bonds (distance) P-C4' energy: -144.371 flat angles C4'-P-C4' energy: -178.122 flat angles P-C4'-P energy: -115.389 tors. eta vs tors. theta energy: -176.258 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: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2000.482105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.482105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.482105 (E_RNA) where: Base-Base interactions energy: -1308.805 where: short stacking energy: -572.670 Base-Backbone interact. energy: 3.068 local terms energy: -694.745449 where: bonds (distance) C4'-P energy: -148.681 bonds (distance) P-C4' energy: -150.699 flat angles C4'-P-C4' energy: -158.652 flat angles P-C4'-P energy: -112.406 tors. eta vs tors. theta energy: -124.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1750.107026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.107026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.107026 (E_RNA) where: Base-Base interactions energy: -1107.877 where: short stacking energy: -486.105 Base-Backbone interact. energy: -1.418 local terms energy: -640.812401 where: bonds (distance) C4'-P energy: -138.825 bonds (distance) P-C4' energy: -148.542 flat angles C4'-P-C4' energy: -167.171 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -82.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1331.937973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.937973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.937973 (E_RNA) where: Base-Base interactions energy: -780.166 where: short stacking energy: -381.278 Base-Backbone interact. energy: 0.553 local terms energy: -552.324811 where: bonds (distance) C4'-P energy: -141.484 bonds (distance) P-C4' energy: -147.297 flat angles C4'-P-C4' energy: -139.526 flat angles P-C4'-P energy: -81.431 tors. eta vs tors. theta energy: -42.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -956.740168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.740168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.740168 (E_RNA) where: Base-Base interactions energy: -485.564 where: short stacking energy: -280.387 Base-Backbone interact. energy: 7.235 local terms energy: -478.410634 where: bonds (distance) C4'-P energy: -144.624 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -122.986 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -8.165 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: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3246.366643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.366643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.366643 (E_RNA) where: Base-Base interactions energy: -2219.293 where: short stacking energy: -957.284 Base-Backbone interact. energy: -7.136 local terms energy: -1019.937361 where: bonds (distance) C4'-P energy: -196.307 bonds (distance) P-C4' energy: -197.179 flat angles C4'-P-C4' energy: -212.734 flat angles P-C4'-P energy: -145.262 tors. eta vs tors. theta energy: -268.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -3103.898635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.898635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.898635 (E_RNA) where: Base-Base interactions energy: -2104.986 where: short stacking energy: -887.114 Base-Backbone interact. energy: -5.503 local terms energy: -993.410128 where: bonds (distance) C4'-P energy: -172.665 bonds (distance) P-C4' energy: -199.698 flat angles C4'-P-C4' energy: -214.158 flat angles P-C4'-P energy: -136.494 tors. eta vs tors. theta energy: -270.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2887.479956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.479956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.479956 (E_RNA) where: Base-Base interactions energy: -1970.018 where: short stacking energy: -844.340 Base-Backbone interact. energy: -5.195 local terms energy: -912.267324 where: bonds (distance) C4'-P energy: -164.515 bonds (distance) P-C4' energy: -183.303 flat angles C4'-P-C4' energy: -206.027 flat angles P-C4'-P energy: -133.360 tors. eta vs tors. theta energy: -225.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2885.373519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.373519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.373519 (E_RNA) where: Base-Base interactions energy: -1993.649 where: short stacking energy: -878.900 Base-Backbone interact. energy: -3.993 local terms energy: -887.732189 where: bonds (distance) C4'-P energy: -156.528 bonds (distance) P-C4' energy: -166.494 flat angles C4'-P-C4' energy: -180.398 flat angles P-C4'-P energy: -131.133 tors. eta vs tors. theta energy: -253.179 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: 253 Temperature: 1.100000 Total energy: -2564.840904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.840904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.840904 (E_RNA) where: Base-Base interactions energy: -1764.972 where: short stacking energy: -771.082 Base-Backbone interact. energy: -6.642 local terms energy: -793.226968 where: bonds (distance) C4'-P energy: -137.077 bonds (distance) P-C4' energy: -142.475 flat angles C4'-P-C4' energy: -188.316 flat angles P-C4'-P energy: -118.131 tors. eta vs tors. theta energy: -207.228 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: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2363.603638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.603638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.603638 (E_RNA) where: Base-Base interactions energy: -1580.524 where: short stacking energy: -708.993 Base-Backbone interact. energy: -0.647 local terms energy: -782.432963 where: bonds (distance) C4'-P energy: -155.532 bonds (distance) P-C4' energy: -161.505 flat angles C4'-P-C4' energy: -169.511 flat angles P-C4'-P energy: -111.439 tors. eta vs tors. theta energy: -184.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2017.345782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.345782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.345782 (E_RNA) where: Base-Base interactions energy: -1287.147 where: short stacking energy: -594.741 Base-Backbone interact. energy: 1.189 local terms energy: -731.387376 where: bonds (distance) C4'-P energy: -151.755 bonds (distance) P-C4' energy: -161.068 flat angles C4'-P-C4' energy: -170.751 flat angles P-C4'-P energy: -107.292 tors. eta vs tors. theta energy: -140.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1738.858203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.858203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.858203 (E_RNA) where: Base-Base interactions energy: -1112.763 where: short stacking energy: -511.230 Base-Backbone interact. energy: -4.175 local terms energy: -621.920724 where: bonds (distance) C4'-P energy: -128.033 bonds (distance) P-C4' energy: -165.475 flat angles C4'-P-C4' energy: -170.555 flat angles P-C4'-P energy: -83.771 tors. eta vs tors. theta energy: -74.087 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: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1385.338282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.338282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.338282 (E_RNA) where: Base-Base interactions energy: -826.915 where: short stacking energy: -419.175 Base-Backbone interact. energy: 2.450 local terms energy: -560.873102 where: bonds (distance) C4'-P energy: -149.208 bonds (distance) P-C4' energy: -171.814 flat angles C4'-P-C4' energy: -136.333 flat angles P-C4'-P energy: -62.635 tors. eta vs tors. theta energy: -40.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -943.377780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.377780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.377780 (E_RNA) where: Base-Base interactions energy: -467.681 where: short stacking energy: -333.057 Base-Backbone interact. energy: -2.776 local terms energy: -472.920466 where: bonds (distance) C4'-P energy: -145.735 bonds (distance) P-C4' energy: -143.938 flat angles C4'-P-C4' energy: -116.837 flat angles P-C4'-P energy: -69.514 tors. eta vs tors. theta energy: 3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3254.594520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.594520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.594520 (E_RNA) where: Base-Base interactions energy: -2270.627 where: short stacking energy: -963.258 Base-Backbone interact. energy: -4.284 local terms energy: -979.683291 where: bonds (distance) C4'-P energy: -179.551 bonds (distance) P-C4' energy: -184.201 flat angles C4'-P-C4' energy: -206.942 flat angles P-C4'-P energy: -130.632 tors. eta vs tors. theta energy: -278.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -3101.819794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.819794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.819794 (E_RNA) where: Base-Base interactions energy: -2124.307 where: short stacking energy: -957.291 Base-Backbone interact. energy: -0.688 local terms energy: -976.824266 where: bonds (distance) C4'-P energy: -170.294 bonds (distance) P-C4' energy: -191.633 flat angles C4'-P-C4' energy: -209.871 flat angles P-C4'-P energy: -132.248 tors. eta vs tors. theta energy: -272.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2902.164044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.164044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.164044 (E_RNA) where: Base-Base interactions energy: -1974.008 where: short stacking energy: -853.294 Base-Backbone interact. energy: -3.614 local terms energy: -924.541324 where: bonds (distance) C4'-P energy: -171.179 bonds (distance) P-C4' energy: -194.966 flat angles C4'-P-C4' energy: -189.725 flat angles P-C4'-P energy: -123.232 tors. eta vs tors. theta energy: -245.438 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: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2807.578382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.578382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.578382 (E_RNA) where: Base-Base interactions energy: -1928.407 where: short stacking energy: -807.055 Base-Backbone interact. energy: -2.383 local terms energy: -876.788818 where: bonds (distance) C4'-P energy: -147.473 bonds (distance) P-C4' energy: -170.990 flat angles C4'-P-C4' energy: -193.941 flat angles P-C4'-P energy: -121.624 tors. eta vs tors. theta energy: -242.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2529.378273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.378273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.378273 (E_RNA) where: Base-Base interactions energy: -1694.532 where: short stacking energy: -734.594 Base-Backbone interact. energy: -4.528 local terms energy: -830.318529 where: bonds (distance) C4'-P energy: -169.416 bonds (distance) P-C4' energy: -154.224 flat angles C4'-P-C4' energy: -198.252 flat angles P-C4'-P energy: -118.676 tors. eta vs tors. theta energy: -189.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2412.198796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.198796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.198796 (E_RNA) where: Base-Base interactions energy: -1639.242 where: short stacking energy: -708.243 Base-Backbone interact. energy: -3.013 local terms energy: -769.944086 where: bonds (distance) C4'-P energy: -160.980 bonds (distance) P-C4' energy: -162.380 flat angles C4'-P-C4' energy: -163.582 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -182.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2107.297455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.297455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.297455 (E_RNA) where: Base-Base interactions energy: -1366.969 where: short stacking energy: -628.453 Base-Backbone interact. energy: -5.630 local terms energy: -734.698025 where: bonds (distance) C4'-P energy: -145.441 bonds (distance) P-C4' energy: -150.654 flat angles C4'-P-C4' energy: -185.517 flat angles P-C4'-P energy: -118.784 tors. eta vs tors. theta energy: -134.303 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: 8, replica: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1715.466190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.466190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.466190 (E_RNA) where: Base-Base interactions energy: -1087.006 where: short stacking energy: -486.850 Base-Backbone interact. energy: 0.214 local terms energy: -628.674378 where: bonds (distance) C4'-P energy: -126.072 bonds (distance) P-C4' energy: -158.531 flat angles C4'-P-C4' energy: -154.644 flat angles P-C4'-P energy: -107.983 tors. eta vs tors. theta energy: -81.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1375.096290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.096290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.096290 (E_RNA) where: Base-Base interactions energy: -853.729 where: short stacking energy: -419.005 Base-Backbone interact. energy: -1.620 local terms energy: -519.747250 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -163.702 flat angles C4'-P-C4' energy: -131.904 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -23.601 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: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -913.630785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.630785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.630785 (E_RNA) where: Base-Base interactions energy: -436.305 where: short stacking energy: -248.695 Base-Backbone interact. energy: -0.006 local terms energy: -477.320140 where: bonds (distance) C4'-P energy: -140.788 bonds (distance) P-C4' energy: -117.592 flat angles C4'-P-C4' energy: -138.218 flat angles P-C4'-P energy: -93.901 tors. eta vs tors. theta energy: 13.179 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: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3212.527472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.527472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.527472 (E_RNA) where: Base-Base interactions energy: -2216.500 where: short stacking energy: -941.990 Base-Backbone interact. energy: -4.497 local terms energy: -991.530001 where: bonds (distance) C4'-P energy: -189.044 bonds (distance) P-C4' energy: -178.899 flat angles C4'-P-C4' energy: -216.952 flat angles P-C4'-P energy: -139.897 tors. eta vs tors. theta energy: -266.738 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: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -3125.481687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.481687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.481687 (E_RNA) where: Base-Base interactions energy: -2187.100 where: short stacking energy: -949.402 Base-Backbone interact. energy: -2.700 local terms energy: -935.681195 where: bonds (distance) C4'-P energy: -156.148 bonds (distance) P-C4' energy: -181.041 flat angles C4'-P-C4' energy: -208.621 flat angles P-C4'-P energy: -120.648 tors. eta vs tors. theta energy: -269.223 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: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2925.552597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.552597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.552597 (E_RNA) where: Base-Base interactions energy: -2021.327 where: short stacking energy: -899.399 Base-Backbone interact. energy: -2.001 local terms energy: -902.225223 where: bonds (distance) C4'-P energy: -166.522 bonds (distance) P-C4' energy: -179.905 flat angles C4'-P-C4' energy: -195.904 flat angles P-C4'-P energy: -116.453 tors. eta vs tors. theta energy: -243.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2864.825206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.825206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.825206 (E_RNA) where: Base-Base interactions energy: -1926.677 where: short stacking energy: -873.906 Base-Backbone interact. energy: -4.631 local terms energy: -933.517569 where: bonds (distance) C4'-P energy: -163.498 bonds (distance) P-C4' energy: -168.462 flat angles C4'-P-C4' energy: -204.193 flat angles P-C4'-P energy: -138.589 tors. eta vs tors. theta energy: -258.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2550.010220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.010220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.010220 (E_RNA) where: Base-Base interactions energy: -1746.962 where: short stacking energy: -759.477 Base-Backbone interact. energy: -2.639 local terms energy: -800.409501 where: bonds (distance) C4'-P energy: -162.351 bonds (distance) P-C4' energy: -165.629 flat angles C4'-P-C4' energy: -183.060 flat angles P-C4'-P energy: -119.642 tors. eta vs tors. theta energy: -169.727 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: 255 Temperature: 1.150000 Total energy: -2388.105231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.105231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.105231 (E_RNA) where: Base-Base interactions energy: -1570.948 where: short stacking energy: -677.926 Base-Backbone interact. energy: -4.324 local terms energy: -812.832681 where: bonds (distance) C4'-P energy: -168.234 bonds (distance) P-C4' energy: -181.330 flat angles C4'-P-C4' energy: -169.380 flat angles P-C4'-P energy: -109.527 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: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1987.411753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.411753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.411753 (E_RNA) where: Base-Base interactions energy: -1290.355 where: short stacking energy: -571.634 Base-Backbone interact. energy: -2.171 local terms energy: -694.885532 where: bonds (distance) C4'-P energy: -151.918 bonds (distance) P-C4' energy: -155.353 flat angles C4'-P-C4' energy: -149.583 flat angles P-C4'-P energy: -112.176 tors. eta vs tors. theta energy: -125.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1752.905739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.905739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.905739 (E_RNA) where: Base-Base interactions energy: -1092.131 where: short stacking energy: -510.122 Base-Backbone interact. energy: -1.585 local terms energy: -659.189724 where: bonds (distance) C4'-P energy: -149.927 bonds (distance) P-C4' energy: -169.805 flat angles C4'-P-C4' energy: -137.931 flat angles P-C4'-P energy: -105.805 tors. eta vs tors. theta energy: -95.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1451.084445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.084445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.084445 (E_RNA) where: Base-Base interactions energy: -891.272 where: short stacking energy: -424.534 Base-Backbone interact. energy: 0.470 local terms energy: -560.282673 where: bonds (distance) C4'-P energy: -138.201 bonds (distance) P-C4' energy: -156.691 flat angles C4'-P-C4' energy: -134.757 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -54.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -956.645119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.645119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.645119 (E_RNA) where: Base-Base interactions energy: -509.062 where: short stacking energy: -307.102 Base-Backbone interact. energy: -1.049 local terms energy: -446.534294 where: bonds (distance) C4'-P energy: -111.002 bonds (distance) P-C4' energy: -155.814 flat angles C4'-P-C4' energy: -125.622 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -0.577 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: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3202.616960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.616960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.616960 (E_RNA) where: Base-Base interactions energy: -2202.339 where: short stacking energy: -946.180 Base-Backbone interact. energy: -9.320 local terms energy: -990.957716 where: bonds (distance) C4'-P energy: -196.385 bonds (distance) P-C4' energy: -180.690 flat angles C4'-P-C4' energy: -208.244 flat angles P-C4'-P energy: -134.698 tors. eta vs tors. theta energy: -270.940 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: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -3122.915422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.915422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.915422 (E_RNA) where: Base-Base interactions energy: -2148.580 where: short stacking energy: -920.559 Base-Backbone interact. energy: -5.116 local terms energy: -969.219866 where: bonds (distance) C4'-P energy: -171.393 bonds (distance) P-C4' energy: -183.585 flat angles C4'-P-C4' energy: -210.295 flat angles P-C4'-P energy: -137.562 tors. eta vs tors. theta energy: -266.386 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: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2917.474112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.474112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.474112 (E_RNA) where: Base-Base interactions energy: -1982.736 where: short stacking energy: -890.074 Base-Backbone interact. energy: -0.160 local terms energy: -934.577939 where: bonds (distance) C4'-P energy: -172.177 bonds (distance) P-C4' energy: -181.077 flat angles C4'-P-C4' energy: -199.248 flat angles P-C4'-P energy: -130.412 tors. eta vs tors. theta energy: -251.664 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: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2861.428437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.428437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.428437 (E_RNA) where: Base-Base interactions energy: -1935.262 where: short stacking energy: -848.646 Base-Backbone interact. energy: -5.183 local terms energy: -920.983269 where: bonds (distance) C4'-P energy: -169.359 bonds (distance) P-C4' energy: -162.481 flat angles C4'-P-C4' energy: -203.915 flat angles P-C4'-P energy: -137.720 tors. eta vs tors. theta energy: -247.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2626.081701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.081701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.081701 (E_RNA) where: Base-Base interactions energy: -1779.361 where: short stacking energy: -780.088 Base-Backbone interact. energy: -2.802 local terms energy: -843.918240 where: bonds (distance) C4'-P energy: -166.262 bonds (distance) P-C4' energy: -161.924 flat angles C4'-P-C4' energy: -197.251 flat angles P-C4'-P energy: -117.725 tors. eta vs tors. theta energy: -200.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2372.716774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.716774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.716774 (E_RNA) where: Base-Base interactions energy: -1627.499 where: short stacking energy: -707.970 Base-Backbone interact. energy: -2.068 local terms energy: -743.149214 where: bonds (distance) C4'-P energy: -133.311 bonds (distance) P-C4' energy: -130.548 flat angles C4'-P-C4' energy: -179.044 flat angles P-C4'-P energy: -113.386 tors. eta vs tors. theta energy: -186.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1968.678397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.678397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.678397 (E_RNA) where: Base-Base interactions energy: -1277.843 where: short stacking energy: -593.328 Base-Backbone interact. energy: -2.654 local terms energy: -688.180792 where: bonds (distance) C4'-P energy: -150.547 bonds (distance) P-C4' energy: -145.647 flat angles C4'-P-C4' energy: -183.381 flat angles P-C4'-P energy: -87.186 tors. eta vs tors. theta energy: -121.421 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: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1739.777806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.777806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.777806 (E_RNA) where: Base-Base interactions energy: -1097.792 where: short stacking energy: -510.590 Base-Backbone interact. energy: -2.663 local terms energy: -639.323209 where: bonds (distance) C4'-P energy: -143.513 bonds (distance) P-C4' energy: -140.047 flat angles C4'-P-C4' energy: -152.234 flat angles P-C4'-P energy: -114.069 tors. eta vs tors. theta energy: -89.461 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: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1445.419182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.419182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.419182 (E_RNA) where: Base-Base interactions energy: -886.934 where: short stacking energy: -406.198 Base-Backbone interact. energy: -4.240 local terms energy: -554.245263 where: bonds (distance) C4'-P energy: -132.837 bonds (distance) P-C4' energy: -153.424 flat angles C4'-P-C4' energy: -115.542 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -58.352 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: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -978.811981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.811981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.811981 (E_RNA) where: Base-Base interactions energy: -519.317 where: short stacking energy: -280.675 Base-Backbone interact. energy: 6.677 local terms energy: -466.172667 where: bonds (distance) C4'-P energy: -140.308 bonds (distance) P-C4' energy: -144.559 flat angles C4'-P-C4' energy: -105.763 flat angles P-C4'-P energy: -80.642 tors. eta vs tors. theta energy: 5.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3213.349930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.349930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.349930 (E_RNA) where: Base-Base interactions energy: -2223.039 where: short stacking energy: -948.832 Base-Backbone interact. energy: -4.177 local terms energy: -986.133556 where: bonds (distance) C4'-P energy: -168.115 bonds (distance) P-C4' energy: -192.778 flat angles C4'-P-C4' energy: -223.940 flat angles P-C4'-P energy: -138.088 tors. eta vs tors. theta energy: -263.212 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: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -3133.293161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.293161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.293161 (E_RNA) where: Base-Base interactions energy: -2157.671 where: short stacking energy: -924.340 Base-Backbone interact. energy: -6.084 local terms energy: -969.538060 where: bonds (distance) C4'-P energy: -178.608 bonds (distance) P-C4' energy: -183.084 flat angles C4'-P-C4' energy: -192.897 flat angles P-C4'-P energy: -138.620 tors. eta vs tors. theta energy: -276.329 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: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2921.235848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.235848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.235848 (E_RNA) where: Base-Base interactions energy: -2024.654 where: short stacking energy: -877.105 Base-Backbone interact. energy: -7.846 local terms energy: -888.735733 where: bonds (distance) C4'-P energy: -163.410 bonds (distance) P-C4' energy: -167.007 flat angles C4'-P-C4' energy: -186.439 flat angles P-C4'-P energy: -131.716 tors. eta vs tors. theta energy: -240.163 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: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2827.864690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.864690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.864690 (E_RNA) where: Base-Base interactions energy: -1931.162 where: short stacking energy: -843.121 Base-Backbone interact. energy: -3.466 local terms energy: -893.236680 where: bonds (distance) C4'-P energy: -175.991 bonds (distance) P-C4' energy: -176.355 flat angles C4'-P-C4' energy: -189.006 flat angles P-C4'-P energy: -124.137 tors. eta vs tors. theta energy: -227.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2583.841382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.841382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.841382 (E_RNA) where: Base-Base interactions energy: -1740.999 where: short stacking energy: -744.582 Base-Backbone interact. energy: -2.080 local terms energy: -840.763210 where: bonds (distance) C4'-P energy: -181.035 bonds (distance) P-C4' energy: -162.391 flat angles C4'-P-C4' energy: -197.159 flat angles P-C4'-P energy: -102.954 tors. eta vs tors. theta energy: -197.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2430.746592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.746592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.746592 (E_RNA) where: Base-Base interactions energy: -1608.845 where: short stacking energy: -728.544 Base-Backbone interact. energy: -4.434 local terms energy: -817.467541 where: bonds (distance) C4'-P energy: -172.826 bonds (distance) P-C4' energy: -159.753 flat angles C4'-P-C4' energy: -166.975 flat angles P-C4'-P energy: -115.992 tors. eta vs tors. theta energy: -201.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2017.299898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.299898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.299898 (E_RNA) where: Base-Base interactions energy: -1304.556 where: short stacking energy: -596.901 Base-Backbone interact. energy: 0.013 local terms energy: -712.756738 where: bonds (distance) C4'-P energy: -148.267 bonds (distance) P-C4' energy: -163.760 flat angles C4'-P-C4' energy: -165.430 flat angles P-C4'-P energy: -100.836 tors. eta vs tors. theta energy: -134.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1715.691704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.691704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.691704 (E_RNA) where: Base-Base interactions energy: -1129.583 where: short stacking energy: -532.051 Base-Backbone interact. energy: 2.378 local terms energy: -588.487073 where: bonds (distance) C4'-P energy: -152.230 bonds (distance) P-C4' energy: -137.773 flat angles C4'-P-C4' energy: -149.973 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -91.281 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: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1465.006205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.006205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.006205 (E_RNA) where: Base-Base interactions energy: -886.819 where: short stacking energy: -421.758 Base-Backbone interact. energy: 1.308 local terms energy: -579.495079 where: bonds (distance) C4'-P energy: -138.035 bonds (distance) P-C4' energy: -146.819 flat angles C4'-P-C4' energy: -154.652 flat angles P-C4'-P energy: -76.430 tors. eta vs tors. theta energy: -63.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -965.789089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.789089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.789089 (E_RNA) where: Base-Base interactions energy: -511.472 where: short stacking energy: -294.650 Base-Backbone interact. energy: 6.892 local terms energy: -461.208433 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -137.015 flat angles P-C4'-P energy: -63.461 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: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3233.533744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.533744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.533744 (E_RNA) where: Base-Base interactions energy: -2249.446 where: short stacking energy: -964.735 Base-Backbone interact. energy: -3.340 local terms energy: -980.747546 where: bonds (distance) C4'-P energy: -172.349 bonds (distance) P-C4' energy: -175.665 flat angles C4'-P-C4' energy: -219.881 flat angles P-C4'-P energy: -141.877 tors. eta vs tors. theta energy: -270.975 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: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -3153.411411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.411411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.411411 (E_RNA) where: Base-Base interactions energy: -2202.368 where: short stacking energy: -952.028 Base-Backbone interact. energy: -3.792 local terms energy: -947.250641 where: bonds (distance) C4'-P energy: -160.239 bonds (distance) P-C4' energy: -180.219 flat angles C4'-P-C4' energy: -206.099 flat angles P-C4'-P energy: -125.911 tors. eta vs tors. theta energy: -274.783 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: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2887.599788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.599788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.599788 (E_RNA) where: Base-Base interactions energy: -1939.847 where: short stacking energy: -835.546 Base-Backbone interact. energy: -5.569 local terms energy: -942.183387 where: bonds (distance) C4'-P energy: -165.380 bonds (distance) P-C4' energy: -179.875 flat angles C4'-P-C4' energy: -202.053 flat angles P-C4'-P energy: -148.173 tors. eta vs tors. theta energy: -246.701 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: 1 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2849.186707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.186707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.186707 (E_RNA) where: Base-Base interactions energy: -1951.767 where: short stacking energy: -842.392 Base-Backbone interact. energy: -3.795 local terms energy: -893.624506 where: bonds (distance) C4'-P energy: -169.800 bonds (distance) P-C4' energy: -166.253 flat angles C4'-P-C4' energy: -198.510 flat angles P-C4'-P energy: -103.656 tors. eta vs tors. theta energy: -255.406 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: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2597.135645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.135645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.135645 (E_RNA) where: Base-Base interactions energy: -1803.808 where: short stacking energy: -749.904 Base-Backbone interact. energy: -0.272 local terms energy: -793.055586 where: bonds (distance) C4'-P energy: -173.453 bonds (distance) P-C4' energy: -153.703 flat angles C4'-P-C4' energy: -173.385 flat angles P-C4'-P energy: -105.300 tors. eta vs tors. theta energy: -187.214 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: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2347.955337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.955337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.955337 (E_RNA) where: Base-Base interactions energy: -1562.131 where: short stacking energy: -677.209 Base-Backbone interact. energy: -3.618 local terms energy: -782.206143 where: bonds (distance) C4'-P energy: -159.166 bonds (distance) P-C4' energy: -181.467 flat angles C4'-P-C4' energy: -164.412 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -176.711 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: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2031.958423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.958423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.958423 (E_RNA) where: Base-Base interactions energy: -1341.850 where: short stacking energy: -621.769 Base-Backbone interact. energy: -1.890 local terms energy: -688.218764 where: bonds (distance) C4'-P energy: -150.570 bonds (distance) P-C4' energy: -154.935 flat angles C4'-P-C4' energy: -168.734 flat angles P-C4'-P energy: -78.847 tors. eta vs tors. theta energy: -135.133 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: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1727.147978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.147978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.147978 (E_RNA) where: Base-Base interactions energy: -1079.428 where: short stacking energy: -479.082 Base-Backbone interact. energy: -0.613 local terms energy: -647.107191 where: bonds (distance) C4'-P energy: -147.289 bonds (distance) P-C4' energy: -173.645 flat angles C4'-P-C4' energy: -150.137 flat angles P-C4'-P energy: -101.396 tors. eta vs tors. theta energy: -74.640 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: 258 Temperature: 1.300000 Total energy: -1517.366684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.366684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.366684 (E_RNA) where: Base-Base interactions energy: -974.479 where: short stacking energy: -452.618 Base-Backbone interact. energy: 12.094 local terms energy: -554.981535 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -142.550 flat angles C4'-P-C4' energy: -137.899 flat angles P-C4'-P energy: -92.971 tors. eta vs tors. theta energy: -50.924 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: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1004.905023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.905023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.905023 (E_RNA) where: Base-Base interactions energy: -547.332 where: short stacking energy: -314.496 Base-Backbone interact. energy: 7.105 local terms energy: -464.677184 where: bonds (distance) C4'-P energy: -137.531 bonds (distance) P-C4' energy: -141.836 flat angles C4'-P-C4' energy: -99.502 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: 0.606 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: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3198.172695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.172695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.172695 (E_RNA) where: Base-Base interactions energy: -2181.372 where: short stacking energy: -961.142 Base-Backbone interact. energy: -3.832 local terms energy: -1012.968596 where: bonds (distance) C4'-P energy: -191.236 bonds (distance) P-C4' energy: -192.120 flat angles C4'-P-C4' energy: -214.468 flat angles P-C4'-P energy: -141.907 tors. eta vs tors. theta energy: -273.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -3104.056540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.056540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.056540 (E_RNA) where: Base-Base interactions energy: -2145.378 where: short stacking energy: -925.575 Base-Backbone interact. energy: -5.914 local terms energy: -952.764631 where: bonds (distance) C4'-P energy: -169.718 bonds (distance) P-C4' energy: -170.046 flat angles C4'-P-C4' energy: -211.262 flat angles P-C4'-P energy: -132.982 tors. eta vs tors. theta energy: -268.756 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: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2903.462803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.462803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.462803 (E_RNA) where: Base-Base interactions energy: -1999.504 where: short stacking energy: -860.850 Base-Backbone interact. energy: -3.559 local terms energy: -900.399390 where: bonds (distance) C4'-P energy: -178.614 bonds (distance) P-C4' energy: -169.012 flat angles C4'-P-C4' energy: -190.657 flat angles P-C4'-P energy: -115.768 tors. eta vs tors. theta energy: -246.348 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: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2839.755855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.755855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.755855 (E_RNA) where: Base-Base interactions energy: -1926.125 where: short stacking energy: -860.503 Base-Backbone interact. energy: -3.126 local terms energy: -910.505165 where: bonds (distance) C4'-P energy: -170.455 bonds (distance) P-C4' energy: -176.103 flat angles C4'-P-C4' energy: -191.672 flat angles P-C4'-P energy: -126.774 tors. eta vs tors. theta energy: -245.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2603.344762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.344762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.344762 (E_RNA) where: Base-Base interactions energy: -1768.544 where: short stacking energy: -792.475 Base-Backbone interact. energy: -5.101 local terms energy: -829.699962 where: bonds (distance) C4'-P energy: -158.289 bonds (distance) P-C4' energy: -167.555 flat angles C4'-P-C4' energy: -189.861 flat angles P-C4'-P energy: -96.776 tors. eta vs tors. theta energy: -217.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2388.654925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.654925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.654925 (E_RNA) where: Base-Base interactions energy: -1635.845 where: short stacking energy: -708.774 Base-Backbone interact. energy: -3.486 local terms energy: -749.323801 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -154.890 flat angles C4'-P-C4' energy: -172.428 flat angles P-C4'-P energy: -103.472 tors. eta vs tors. theta energy: -177.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2051.829421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.829421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.829421 (E_RNA) where: Base-Base interactions energy: -1349.252 where: short stacking energy: -599.777 Base-Backbone interact. energy: -1.276 local terms energy: -701.301016 where: bonds (distance) C4'-P energy: -154.579 bonds (distance) P-C4' energy: -135.563 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -109.291 tors. eta vs tors. theta energy: -134.934 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: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1761.111439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.111439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.111439 (E_RNA) where: Base-Base interactions energy: -1157.504 where: short stacking energy: -529.288 Base-Backbone interact. energy: 0.576 local terms energy: -604.183388 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -149.669 flat angles C4'-P-C4' energy: -145.816 flat angles P-C4'-P energy: -76.680 tors. eta vs tors. theta energy: -90.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1532.158426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.158426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.158426 (E_RNA) where: Base-Base interactions energy: -929.454 where: short stacking energy: -441.446 Base-Backbone interact. energy: -3.025 local terms energy: -599.679662 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -142.525 flat angles C4'-P-C4' energy: -156.226 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -71.369 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: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1004.709097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.709097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.709097 (E_RNA) where: Base-Base interactions energy: -519.292 where: short stacking energy: -300.442 Base-Backbone interact. energy: 0.590 local terms energy: -486.007473 where: bonds (distance) C4'-P energy: -126.972 bonds (distance) P-C4' energy: -148.119 flat angles C4'-P-C4' energy: -113.639 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3209.745566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.745566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.745566 (E_RNA) where: Base-Base interactions energy: -2221.883 where: short stacking energy: -980.300 Base-Backbone interact. energy: 4.195 local terms energy: -992.057919 where: bonds (distance) C4'-P energy: -174.639 bonds (distance) P-C4' energy: -202.138 flat angles C4'-P-C4' energy: -210.293 flat angles P-C4'-P energy: -125.045 tors. eta vs tors. theta energy: -279.942 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -3100.802167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.802167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.802167 (E_RNA) where: Base-Base interactions energy: -2142.074 where: short stacking energy: -917.309 Base-Backbone interact. energy: -3.379 local terms energy: -955.349019 where: bonds (distance) C4'-P energy: -187.286 bonds (distance) P-C4' energy: -163.095 flat angles C4'-P-C4' energy: -198.375 flat angles P-C4'-P energy: -142.052 tors. eta vs tors. theta energy: -264.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2961.408820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.408820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.408820 (E_RNA) where: Base-Base interactions energy: -2027.878 where: short stacking energy: -888.541 Base-Backbone interact. energy: -6.465 local terms energy: -927.065977 where: bonds (distance) C4'-P energy: -158.093 bonds (distance) P-C4' energy: -181.231 flat angles C4'-P-C4' energy: -193.041 flat angles P-C4'-P energy: -133.230 tors. eta vs tors. theta energy: -261.471 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2803.267230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.267230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.267230 (E_RNA) where: Base-Base interactions energy: -1912.104 where: short stacking energy: -838.002 Base-Backbone interact. energy: 1.209 local terms energy: -892.372006 where: bonds (distance) C4'-P energy: -163.952 bonds (distance) P-C4' energy: -171.087 flat angles C4'-P-C4' energy: -184.883 flat angles P-C4'-P energy: -128.344 tors. eta vs tors. theta energy: -244.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2642.160358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.160358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.160358 (E_RNA) where: Base-Base interactions energy: -1765.048 where: short stacking energy: -783.893 Base-Backbone interact. energy: -2.468 local terms energy: -874.643940 where: bonds (distance) C4'-P energy: -160.700 bonds (distance) P-C4' energy: -160.655 flat angles C4'-P-C4' energy: -185.573 flat angles P-C4'-P energy: -138.907 tors. eta vs tors. theta energy: -228.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2445.157769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.157769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.157769 (E_RNA) where: Base-Base interactions energy: -1630.105 where: short stacking energy: -705.246 Base-Backbone interact. energy: -5.981 local terms energy: -809.071752 where: bonds (distance) C4'-P energy: -152.652 bonds (distance) P-C4' energy: -173.846 flat angles C4'-P-C4' energy: -181.276 flat angles P-C4'-P energy: -122.306 tors. eta vs tors. theta energy: -178.991 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: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2124.598760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.598760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.598760 (E_RNA) where: Base-Base interactions energy: -1392.535 where: short stacking energy: -677.785 Base-Backbone interact. energy: -0.893 local terms energy: -731.171576 where: bonds (distance) C4'-P energy: -136.965 bonds (distance) P-C4' energy: -163.094 flat angles C4'-P-C4' energy: -179.481 flat angles P-C4'-P energy: -97.510 tors. eta vs tors. theta energy: -154.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1780.608823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.608823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.608823 (E_RNA) where: Base-Base interactions energy: -1107.758 where: short stacking energy: -486.241 Base-Backbone interact. energy: -1.565 local terms energy: -671.285234 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -152.439 flat angles C4'-P-C4' energy: -158.884 flat angles P-C4'-P energy: -110.470 tors. eta vs tors. theta energy: -106.208 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: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1504.692807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.692807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.692807 (E_RNA) where: Base-Base interactions energy: -955.667 where: short stacking energy: -431.836 Base-Backbone interact. energy: 5.198 local terms energy: -554.222966 where: bonds (distance) C4'-P energy: -136.867 bonds (distance) P-C4' energy: -138.961 flat angles C4'-P-C4' energy: -143.368 flat angles P-C4'-P energy: -85.598 tors. eta vs tors. theta energy: -49.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1014.837601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.837601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.837601 (E_RNA) where: Base-Base interactions energy: -532.825 where: short stacking energy: -303.837 Base-Backbone interact. energy: 1.114 local terms energy: -483.126442 where: bonds (distance) C4'-P energy: -136.568 bonds (distance) P-C4' energy: -154.836 flat angles C4'-P-C4' energy: -118.614 flat angles P-C4'-P energy: -67.735 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3220.198715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.198715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.198715 (E_RNA) where: Base-Base interactions energy: -2193.879 where: short stacking energy: -948.942 Base-Backbone interact. energy: -8.924 local terms energy: -1017.394936 where: bonds (distance) C4'-P energy: -183.424 bonds (distance) P-C4' energy: -190.758 flat angles C4'-P-C4' energy: -220.347 flat angles P-C4'-P energy: -142.711 tors. eta vs tors. theta energy: -280.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -3152.733326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.733326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.733326 (E_RNA) where: Base-Base interactions energy: -2187.625 where: short stacking energy: -937.117 Base-Backbone interact. energy: -4.173 local terms energy: -960.935552 where: bonds (distance) C4'-P energy: -166.387 bonds (distance) P-C4' energy: -184.223 flat angles C4'-P-C4' energy: -203.217 flat angles P-C4'-P energy: -140.821 tors. eta vs tors. theta energy: -266.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2948.009049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.009049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.009049 (E_RNA) where: Base-Base interactions energy: -2011.137 where: short stacking energy: -873.941 Base-Backbone interact. energy: -9.915 local terms energy: -926.957446 where: bonds (distance) C4'-P energy: -183.840 bonds (distance) P-C4' energy: -168.312 flat angles C4'-P-C4' energy: -187.612 flat angles P-C4'-P energy: -135.904 tors. eta vs tors. theta energy: -251.289 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: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2848.576335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.576335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.576335 (E_RNA) where: Base-Base interactions energy: -1937.800 where: short stacking energy: -839.970 Base-Backbone interact. energy: -8.242 local terms energy: -902.534263 where: bonds (distance) C4'-P energy: -172.209 bonds (distance) P-C4' energy: -173.100 flat angles C4'-P-C4' energy: -183.971 flat angles P-C4'-P energy: -130.328 tors. eta vs tors. theta energy: -242.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2596.760978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.760978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.760978 (E_RNA) where: Base-Base interactions energy: -1774.061 where: short stacking energy: -763.267 Base-Backbone interact. energy: 1.398 local terms energy: -824.098000 where: bonds (distance) C4'-P energy: -143.748 bonds (distance) P-C4' energy: -179.572 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -129.261 tors. eta vs tors. theta energy: -191.630 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: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2388.476681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.476681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.476681 (E_RNA) where: Base-Base interactions energy: -1635.615 where: short stacking energy: -692.798 Base-Backbone interact. energy: 5.201 local terms energy: -758.063526 where: bonds (distance) C4'-P energy: -151.804 bonds (distance) P-C4' energy: -159.968 flat angles C4'-P-C4' energy: -165.177 flat angles P-C4'-P energy: -103.072 tors. eta vs tors. theta energy: -178.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2102.710937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.710937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.710937 (E_RNA) where: Base-Base interactions energy: -1354.300 where: short stacking energy: -629.015 Base-Backbone interact. energy: -0.583 local terms energy: -747.828026 where: bonds (distance) C4'-P energy: -160.928 bonds (distance) P-C4' energy: -171.708 flat angles C4'-P-C4' energy: -177.343 flat angles P-C4'-P energy: -95.861 tors. eta vs tors. theta energy: -141.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1848.312979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.312979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.312979 (E_RNA) where: Base-Base interactions energy: -1167.834 where: short stacking energy: -533.186 Base-Backbone interact. energy: -4.073 local terms energy: -676.406016 where: bonds (distance) C4'-P energy: -136.211 bonds (distance) P-C4' energy: -161.469 flat angles C4'-P-C4' energy: -161.931 flat angles P-C4'-P energy: -110.842 tors. eta vs tors. theta energy: -105.954 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: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1493.981367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.981367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.981367 (E_RNA) where: Base-Base interactions energy: -904.656 where: short stacking energy: -419.956 Base-Backbone interact. energy: -3.100 local terms energy: -586.225456 where: bonds (distance) C4'-P energy: -145.544 bonds (distance) P-C4' energy: -154.765 flat angles C4'-P-C4' energy: -126.940 flat angles P-C4'-P energy: -100.690 tors. eta vs tors. theta energy: -58.286 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: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -958.635644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.635644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.635644 (E_RNA) where: Base-Base interactions energy: -468.676 where: short stacking energy: -290.573 Base-Backbone interact. energy: 3.854 local terms energy: -493.814038 where: bonds (distance) C4'-P energy: -146.443 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -68.436 tors. eta vs tors. theta energy: -14.266 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: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3227.429993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.429993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.429993 (E_RNA) where: Base-Base interactions energy: -2225.180 where: short stacking energy: -973.304 Base-Backbone interact. energy: -5.793 local terms energy: -996.456137 where: bonds (distance) C4'-P energy: -184.645 bonds (distance) P-C4' energy: -196.148 flat angles C4'-P-C4' energy: -216.725 flat angles P-C4'-P energy: -130.111 tors. eta vs tors. theta energy: -268.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -3123.244028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.244028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.244028 (E_RNA) where: Base-Base interactions energy: -2142.222 where: short stacking energy: -940.081 Base-Backbone interact. energy: -7.699 local terms energy: -973.323198 where: bonds (distance) C4'-P energy: -165.255 bonds (distance) P-C4' energy: -191.165 flat angles C4'-P-C4' energy: -207.334 flat angles P-C4'-P energy: -139.980 tors. eta vs tors. theta energy: -269.589 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: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2959.112786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.112786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.112786 (E_RNA) where: Base-Base interactions energy: -2026.493 where: short stacking energy: -860.247 Base-Backbone interact. energy: -4.818 local terms energy: -927.802127 where: bonds (distance) C4'-P energy: -172.956 bonds (distance) P-C4' energy: -176.089 flat angles C4'-P-C4' energy: -198.797 flat angles P-C4'-P energy: -128.431 tors. eta vs tors. theta energy: -251.530 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: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2771.649932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.649932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.649932 (E_RNA) where: Base-Base interactions energy: -1913.929 where: short stacking energy: -828.217 Base-Backbone interact. energy: -2.044 local terms energy: -855.676791 where: bonds (distance) C4'-P energy: -167.528 bonds (distance) P-C4' energy: -145.002 flat angles C4'-P-C4' energy: -182.184 flat angles P-C4'-P energy: -128.809 tors. eta vs tors. theta energy: -232.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2620.444411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.444411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.444411 (E_RNA) where: Base-Base interactions energy: -1809.143 where: short stacking energy: -770.738 Base-Backbone interact. energy: -3.336 local terms energy: -807.965208 where: bonds (distance) C4'-P energy: -136.358 bonds (distance) P-C4' energy: -169.931 flat angles C4'-P-C4' energy: -170.491 flat angles P-C4'-P energy: -132.032 tors. eta vs tors. theta energy: -199.154 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: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2398.811431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.811431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.811431 (E_RNA) where: Base-Base interactions energy: -1619.133 where: short stacking energy: -712.742 Base-Backbone interact. energy: 5.840 local terms energy: -785.518251 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -159.841 flat angles C4'-P-C4' energy: -169.219 flat angles P-C4'-P energy: -121.209 tors. eta vs tors. theta energy: -180.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2023.088700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.088700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.088700 (E_RNA) where: Base-Base interactions energy: -1339.871 where: short stacking energy: -577.549 Base-Backbone interact. energy: -4.690 local terms energy: -678.527561 where: bonds (distance) C4'-P energy: -145.408 bonds (distance) P-C4' energy: -153.550 flat angles C4'-P-C4' energy: -160.329 flat angles P-C4'-P energy: -102.164 tors. eta vs tors. theta energy: -117.076 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: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1815.674420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.674420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.674420 (E_RNA) where: Base-Base interactions energy: -1165.736 where: short stacking energy: -503.301 Base-Backbone interact. energy: -0.496 local terms energy: -649.441726 where: bonds (distance) C4'-P energy: -140.411 bonds (distance) P-C4' energy: -133.905 flat angles C4'-P-C4' energy: -160.628 flat angles P-C4'-P energy: -108.677 tors. eta vs tors. theta energy: -105.821 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: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1503.393829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.393829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.393829 (E_RNA) where: Base-Base interactions energy: -902.357 where: short stacking energy: -425.475 Base-Backbone interact. energy: 0.760 local terms energy: -601.796537 where: bonds (distance) C4'-P energy: -122.266 bonds (distance) P-C4' energy: -169.027 flat angles C4'-P-C4' energy: -152.988 flat angles P-C4'-P energy: -95.661 tors. eta vs tors. theta energy: -61.855 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: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -963.593586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.593586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.593586 (E_RNA) where: Base-Base interactions energy: -477.509 where: short stacking energy: -277.997 Base-Backbone interact. energy: 10.317 local terms energy: -496.401753 where: bonds (distance) C4'-P energy: -133.527 bonds (distance) P-C4' energy: -164.190 flat angles C4'-P-C4' energy: -125.058 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: -0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3225.439023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.439023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.439023 (E_RNA) where: Base-Base interactions energy: -2224.680 where: short stacking energy: -963.468 Base-Backbone interact. energy: -8.451 local terms energy: -992.308400 where: bonds (distance) C4'-P energy: -173.580 bonds (distance) P-C4' energy: -186.188 flat angles C4'-P-C4' energy: -216.099 flat angles P-C4'-P energy: -141.793 tors. eta vs tors. theta energy: -274.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -3144.862108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.862108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.862108 (E_RNA) where: Base-Base interactions energy: -2183.623 where: short stacking energy: -937.941 Base-Backbone interact. energy: -8.458 local terms energy: -952.781159 where: bonds (distance) C4'-P energy: -170.269 bonds (distance) P-C4' energy: -183.839 flat angles C4'-P-C4' energy: -198.930 flat angles P-C4'-P energy: -129.173 tors. eta vs tors. theta energy: -270.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2926.462145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.462145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.462145 (E_RNA) where: Base-Base interactions energy: -2017.950 where: short stacking energy: -841.250 Base-Backbone interact. energy: -1.538 local terms energy: -906.974294 where: bonds (distance) C4'-P energy: -174.178 bonds (distance) P-C4' energy: -171.611 flat angles C4'-P-C4' energy: -191.820 flat angles P-C4'-P energy: -125.480 tors. eta vs tors. theta energy: -243.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2798.641066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.641066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.641066 (E_RNA) where: Base-Base interactions energy: -1949.956 where: short stacking energy: -806.892 Base-Backbone interact. energy: -1.914 local terms energy: -846.771162 where: bonds (distance) C4'-P energy: -161.646 bonds (distance) P-C4' energy: -158.679 flat angles C4'-P-C4' energy: -188.468 flat angles P-C4'-P energy: -113.813 tors. eta vs tors. theta energy: -224.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2662.918285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.918285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.918285 (E_RNA) where: Base-Base interactions energy: -1809.523 where: short stacking energy: -779.454 Base-Backbone interact. energy: -0.851 local terms energy: -852.544038 where: bonds (distance) C4'-P energy: -165.663 bonds (distance) P-C4' energy: -185.560 flat angles C4'-P-C4' energy: -188.119 flat angles P-C4'-P energy: -117.242 tors. eta vs tors. theta energy: -195.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2416.032507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.032507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.032507 (E_RNA) where: Base-Base interactions energy: -1615.206 where: short stacking energy: -706.182 Base-Backbone interact. energy: -0.258 local terms energy: -800.568577 where: bonds (distance) C4'-P energy: -172.976 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -180.257 flat angles P-C4'-P energy: -108.595 tors. eta vs tors. theta energy: -177.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2027.390984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.390984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.390984 (E_RNA) where: Base-Base interactions energy: -1301.564 where: short stacking energy: -600.056 Base-Backbone interact. energy: -2.611 local terms energy: -723.216622 where: bonds (distance) C4'-P energy: -162.381 bonds (distance) P-C4' energy: -148.114 flat angles C4'-P-C4' energy: -173.555 flat angles P-C4'-P energy: -96.358 tors. eta vs tors. theta energy: -142.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1665.826610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.826610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.826610 (E_RNA) where: Base-Base interactions energy: -1060.139 where: short stacking energy: -501.152 Base-Backbone interact. energy: 3.618 local terms energy: -609.305302 where: bonds (distance) C4'-P energy: -140.781 bonds (distance) P-C4' energy: -155.741 flat angles C4'-P-C4' energy: -161.236 flat angles P-C4'-P energy: -81.306 tors. eta vs tors. theta energy: -70.242 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: 263 Temperature: 1.300000 Total energy: -1467.358437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.358437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.358437 (E_RNA) where: Base-Base interactions energy: -896.299 where: short stacking energy: -431.571 Base-Backbone interact. energy: -1.059 local terms energy: -570.000404 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -164.741 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -56.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -968.257160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.257160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.257160 (E_RNA) where: Base-Base interactions energy: -499.295 where: short stacking energy: -310.022 Base-Backbone interact. energy: 5.972 local terms energy: -474.934092 where: bonds (distance) C4'-P energy: -148.542 bonds (distance) P-C4' energy: -145.159 flat angles C4'-P-C4' energy: -125.396 flat angles P-C4'-P energy: -47.563 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3218.100530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.100530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.100530 (E_RNA) where: Base-Base interactions energy: -2205.775 where: short stacking energy: -968.557 Base-Backbone interact. energy: -4.083 local terms energy: -1008.242615 where: bonds (distance) C4'-P energy: -172.887 bonds (distance) P-C4' energy: -179.531 flat angles C4'-P-C4' energy: -224.531 flat angles P-C4'-P energy: -139.241 tors. eta vs tors. theta energy: -292.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -3128.630919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.630919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.630919 (E_RNA) where: Base-Base interactions energy: -2190.542 where: short stacking energy: -916.270 Base-Backbone interact. energy: -0.308 local terms energy: -937.781366 where: bonds (distance) C4'-P energy: -173.237 bonds (distance) P-C4' energy: -175.907 flat angles C4'-P-C4' energy: -189.498 flat angles P-C4'-P energy: -131.576 tors. eta vs tors. theta energy: -267.563 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: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2917.951440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.951440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.951440 (E_RNA) where: Base-Base interactions energy: -1982.824 where: short stacking energy: -855.821 Base-Backbone interact. energy: -7.356 local terms energy: -927.772029 where: bonds (distance) C4'-P energy: -170.030 bonds (distance) P-C4' energy: -173.424 flat angles C4'-P-C4' energy: -208.606 flat angles P-C4'-P energy: -133.767 tors. eta vs tors. theta energy: -241.945 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: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2813.944153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.944153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.944153 (E_RNA) where: Base-Base interactions energy: -1939.999 where: short stacking energy: -838.701 Base-Backbone interact. energy: -4.097 local terms energy: -869.848867 where: bonds (distance) C4'-P energy: -166.439 bonds (distance) P-C4' energy: -166.783 flat angles C4'-P-C4' energy: -183.283 flat angles P-C4'-P energy: -120.067 tors. eta vs tors. theta energy: -233.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2650.607131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.607131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.607131 (E_RNA) where: Base-Base interactions energy: -1828.356 where: short stacking energy: -775.077 Base-Backbone interact. energy: -3.279 local terms energy: -818.971412 where: bonds (distance) C4'-P energy: -146.507 bonds (distance) P-C4' energy: -164.011 flat angles C4'-P-C4' energy: -191.775 flat angles P-C4'-P energy: -111.454 tors. eta vs tors. theta energy: -205.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2363.813928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.813928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.813928 (E_RNA) where: Base-Base interactions energy: -1573.659 where: short stacking energy: -714.036 Base-Backbone interact. energy: -2.368 local terms energy: -787.786504 where: bonds (distance) C4'-P energy: -169.029 bonds (distance) P-C4' energy: -138.876 flat angles C4'-P-C4' energy: -180.816 flat angles P-C4'-P energy: -113.688 tors. eta vs tors. theta energy: -185.377 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: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2069.870905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.870905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.870905 (E_RNA) where: Base-Base interactions energy: -1367.256 where: short stacking energy: -629.534 Base-Backbone interact. energy: -1.721 local terms energy: -700.893967 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -162.621 flat angles C4'-P-C4' energy: -163.632 flat angles P-C4'-P energy: -101.806 tors. eta vs tors. theta energy: -127.433 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: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1661.939575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.939575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.939575 (E_RNA) where: Base-Base interactions energy: -1041.598 where: short stacking energy: -487.478 Base-Backbone interact. energy: 2.513 local terms energy: -622.855029 where: bonds (distance) C4'-P energy: -138.188 bonds (distance) P-C4' energy: -170.172 flat angles C4'-P-C4' energy: -142.143 flat angles P-C4'-P energy: -87.445 tors. eta vs tors. theta energy: -84.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1450.208992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.208992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.208992 (E_RNA) where: Base-Base interactions energy: -874.003 where: short stacking energy: -429.782 Base-Backbone interact. energy: 1.841 local terms energy: -578.047498 where: bonds (distance) C4'-P energy: -137.693 bonds (distance) P-C4' energy: -153.667 flat angles C4'-P-C4' energy: -145.387 flat angles P-C4'-P energy: -102.879 tors. eta vs tors. theta energy: -38.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -979.126944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.126944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.126944 (E_RNA) where: Base-Base interactions energy: -536.879 where: short stacking energy: -286.492 Base-Backbone interact. energy: 3.662 local terms energy: -445.909721 where: bonds (distance) C4'-P energy: -132.285 bonds (distance) P-C4' energy: -133.647 flat angles C4'-P-C4' energy: -117.061 flat angles P-C4'-P energy: -70.114 tors. eta vs tors. theta energy: 7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3216.563144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.563144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.563144 (E_RNA) where: Base-Base interactions energy: -2255.819 where: short stacking energy: -982.634 Base-Backbone interact. energy: -1.665 local terms energy: -959.079087 where: bonds (distance) C4'-P energy: -161.888 bonds (distance) P-C4' energy: -171.304 flat angles C4'-P-C4' energy: -217.103 flat angles P-C4'-P energy: -123.944 tors. eta vs tors. theta energy: -284.840 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: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -3114.488100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.488100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.488100 (E_RNA) where: Base-Base interactions energy: -2142.362 where: short stacking energy: -920.824 Base-Backbone interact. energy: -7.183 local terms energy: -964.943001 where: bonds (distance) C4'-P energy: -180.913 bonds (distance) P-C4' energy: -172.616 flat angles C4'-P-C4' energy: -213.993 flat angles P-C4'-P energy: -130.069 tors. eta vs tors. theta energy: -267.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2905.909916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.909916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.909916 (E_RNA) where: Base-Base interactions energy: -1967.863 where: short stacking energy: -864.735 Base-Backbone interact. energy: -3.942 local terms energy: -934.104325 where: bonds (distance) C4'-P energy: -180.542 bonds (distance) P-C4' energy: -187.979 flat angles C4'-P-C4' energy: -196.026 flat angles P-C4'-P energy: -131.391 tors. eta vs tors. theta energy: -238.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2826.883098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.883098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.883098 (E_RNA) where: Base-Base interactions energy: -1950.802 where: short stacking energy: -853.572 Base-Backbone interact. energy: -4.220 local terms energy: -871.861008 where: bonds (distance) C4'-P energy: -160.755 bonds (distance) P-C4' energy: -166.170 flat angles C4'-P-C4' energy: -199.753 flat angles P-C4'-P energy: -109.356 tors. eta vs tors. theta energy: -235.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2627.854471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.854471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.854471 (E_RNA) where: Base-Base interactions energy: -1778.875 where: short stacking energy: -772.781 Base-Backbone interact. energy: -5.919 local terms energy: -843.060825 where: bonds (distance) C4'-P energy: -162.414 bonds (distance) P-C4' energy: -156.611 flat angles C4'-P-C4' energy: -189.161 flat angles P-C4'-P energy: -134.448 tors. eta vs tors. theta energy: -200.427 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: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2422.349109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.349109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.349109 (E_RNA) where: Base-Base interactions energy: -1614.230 where: short stacking energy: -703.346 Base-Backbone interact. energy: -2.710 local terms energy: -805.409555 where: bonds (distance) C4'-P energy: -152.073 bonds (distance) P-C4' energy: -181.223 flat angles C4'-P-C4' energy: -181.469 flat angles P-C4'-P energy: -105.215 tors. eta vs tors. theta energy: -185.430 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1961.803038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.803038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.803038 (E_RNA) where: Base-Base interactions energy: -1286.266 where: short stacking energy: -617.209 Base-Backbone interact. energy: 0.992 local terms energy: -676.529171 where: bonds (distance) C4'-P energy: -122.107 bonds (distance) P-C4' energy: -168.977 flat angles C4'-P-C4' energy: -153.230 flat angles P-C4'-P energy: -98.776 tors. eta vs tors. theta energy: -133.439 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: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1697.830306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.830306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.830306 (E_RNA) where: Base-Base interactions energy: -1039.715 where: short stacking energy: -484.375 Base-Backbone interact. energy: 5.063 local terms energy: -663.178890 where: bonds (distance) C4'-P energy: -152.537 bonds (distance) P-C4' energy: -166.424 flat angles C4'-P-C4' energy: -165.158 flat angles P-C4'-P energy: -97.679 tors. eta vs tors. theta energy: -81.382 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: 9, replica: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1501.741354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.741354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.741354 (E_RNA) where: Base-Base interactions energy: -927.708 where: short stacking energy: -427.165 Base-Backbone interact. energy: -2.880 local terms energy: -571.153180 where: bonds (distance) C4'-P energy: -137.189 bonds (distance) P-C4' energy: -150.481 flat angles C4'-P-C4' energy: -158.215 flat angles P-C4'-P energy: -80.243 tors. eta vs tors. theta energy: -45.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1024.176413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.176413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.176413 (E_RNA) where: Base-Base interactions energy: -550.793 where: short stacking energy: -328.404 Base-Backbone interact. energy: 3.373 local terms energy: -476.755800 where: bonds (distance) C4'-P energy: -118.274 bonds (distance) P-C4' energy: -171.331 flat angles C4'-P-C4' energy: -102.702 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3205.177055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.177055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.177055 (E_RNA) where: Base-Base interactions energy: -2224.651 where: short stacking energy: -940.988 Base-Backbone interact. energy: -4.477 local terms energy: -976.048843 where: bonds (distance) C4'-P energy: -167.832 bonds (distance) P-C4' energy: -199.592 flat angles C4'-P-C4' energy: -209.276 flat angles P-C4'-P energy: -124.379 tors. eta vs tors. theta energy: -274.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -3122.289569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.289569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.289569 (E_RNA) where: Base-Base interactions energy: -2164.986 where: short stacking energy: -938.289 Base-Backbone interact. energy: -0.215 local terms energy: -957.088324 where: bonds (distance) C4'-P energy: -176.333 bonds (distance) P-C4' energy: -182.536 flat angles C4'-P-C4' energy: -199.581 flat angles P-C4'-P energy: -140.112 tors. eta vs tors. theta energy: -258.525 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: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2933.039736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.039736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.039736 (E_RNA) where: Base-Base interactions energy: -2024.817 where: short stacking energy: -888.609 Base-Backbone interact. energy: -1.149 local terms energy: -907.073607 where: bonds (distance) C4'-P energy: -162.849 bonds (distance) P-C4' energy: -160.806 flat angles C4'-P-C4' energy: -200.523 flat angles P-C4'-P energy: -124.276 tors. eta vs tors. theta energy: -258.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2876.541296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.541296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.541296 (E_RNA) where: Base-Base interactions energy: -1975.234 where: short stacking energy: -870.360 Base-Backbone interact. energy: -4.561 local terms energy: -896.746579 where: bonds (distance) C4'-P energy: -164.020 bonds (distance) P-C4' energy: -162.813 flat angles C4'-P-C4' energy: -195.396 flat angles P-C4'-P energy: -115.751 tors. eta vs tors. theta energy: -258.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2611.174868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.174868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.174868 (E_RNA) where: Base-Base interactions energy: -1786.572 where: short stacking energy: -764.974 Base-Backbone interact. energy: -1.403 local terms energy: -823.200070 where: bonds (distance) C4'-P energy: -160.848 bonds (distance) P-C4' energy: -159.203 flat angles C4'-P-C4' energy: -196.485 flat angles P-C4'-P energy: -106.704 tors. eta vs tors. theta energy: -199.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2434.995247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.995247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.995247 (E_RNA) where: Base-Base interactions energy: -1637.145 where: short stacking energy: -725.621 Base-Backbone interact. energy: -2.521 local terms energy: -795.329548 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -162.015 flat angles C4'-P-C4' energy: -196.431 flat angles P-C4'-P energy: -114.364 tors. eta vs tors. theta energy: -186.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1927.053196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.053196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.053196 (E_RNA) where: Base-Base interactions energy: -1263.876 where: short stacking energy: -589.286 Base-Backbone interact. energy: -0.188 local terms energy: -662.989158 where: bonds (distance) C4'-P energy: -145.131 bonds (distance) P-C4' energy: -166.653 flat angles C4'-P-C4' energy: -150.262 flat angles P-C4'-P energy: -83.983 tors. eta vs tors. theta energy: -116.961 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: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1695.723587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.723587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.723587 (E_RNA) where: Base-Base interactions energy: -1042.365 where: short stacking energy: -473.041 Base-Backbone interact. energy: -1.620 local terms energy: -651.738149 where: bonds (distance) C4'-P energy: -157.315 bonds (distance) P-C4' energy: -155.431 flat angles C4'-P-C4' energy: -170.314 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -80.263 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: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1452.320074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.320074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.320074 (E_RNA) where: Base-Base interactions energy: -868.466 where: short stacking energy: -428.610 Base-Backbone interact. energy: 7.332 local terms energy: -591.185726 where: bonds (distance) C4'-P energy: -141.014 bonds (distance) P-C4' energy: -159.435 flat angles C4'-P-C4' energy: -147.404 flat angles P-C4'-P energy: -88.185 tors. eta vs tors. theta energy: -55.148 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: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1024.126613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.126613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.126613 (E_RNA) where: Base-Base interactions energy: -560.992 where: short stacking energy: -283.844 Base-Backbone interact. energy: 0.711 local terms energy: -463.844933 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -138.619 flat angles C4'-P-C4' energy: -118.174 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: 9.591 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: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3227.716156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.716156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.716156 (E_RNA) where: Base-Base interactions energy: -2224.279 where: short stacking energy: -939.833 Base-Backbone interact. energy: -4.109 local terms energy: -999.327835 where: bonds (distance) C4'-P energy: -171.127 bonds (distance) P-C4' energy: -195.040 flat angles C4'-P-C4' energy: -218.923 flat angles P-C4'-P energy: -148.898 tors. eta vs tors. theta energy: -265.341 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: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -3116.440654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.440654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.440654 (E_RNA) where: Base-Base interactions energy: -2144.877 where: short stacking energy: -938.494 Base-Backbone interact. energy: -3.106 local terms energy: -968.457960 where: bonds (distance) C4'-P energy: -182.198 bonds (distance) P-C4' energy: -176.813 flat angles C4'-P-C4' energy: -206.449 flat angles P-C4'-P energy: -140.500 tors. eta vs tors. theta energy: -262.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2954.755597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.755597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.755597 (E_RNA) where: Base-Base interactions energy: -2039.845 where: short stacking energy: -842.419 Base-Backbone interact. energy: -5.079 local terms energy: -909.831142 where: bonds (distance) C4'-P energy: -173.382 bonds (distance) P-C4' energy: -172.734 flat angles C4'-P-C4' energy: -192.741 flat angles P-C4'-P energy: -132.099 tors. eta vs tors. theta energy: -238.874 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: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2846.238371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.238371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.238371 (E_RNA) where: Base-Base interactions energy: -1931.033 where: short stacking energy: -839.931 Base-Backbone interact. energy: -3.750 local terms energy: -911.455830 where: bonds (distance) C4'-P energy: -179.982 bonds (distance) P-C4' energy: -187.520 flat angles C4'-P-C4' energy: -189.218 flat angles P-C4'-P energy: -123.295 tors. eta vs tors. theta energy: -231.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2595.212649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.212649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.212649 (E_RNA) where: Base-Base interactions energy: -1774.278 where: short stacking energy: -792.760 Base-Backbone interact. energy: -0.719 local terms energy: -820.214847 where: bonds (distance) C4'-P energy: -135.768 bonds (distance) P-C4' energy: -157.813 flat angles C4'-P-C4' energy: -193.433 flat angles P-C4'-P energy: -138.483 tors. eta vs tors. theta energy: -194.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2449.608238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.608238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.608238 (E_RNA) where: Base-Base interactions energy: -1683.309 where: short stacking energy: -760.106 Base-Backbone interact. energy: -0.161 local terms energy: -766.138110 where: bonds (distance) C4'-P energy: -141.479 bonds (distance) P-C4' energy: -149.831 flat angles C4'-P-C4' energy: -186.128 flat angles P-C4'-P energy: -103.980 tors. eta vs tors. theta energy: -184.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1970.691542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.691542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.691542 (E_RNA) where: Base-Base interactions energy: -1271.088 where: short stacking energy: -580.414 Base-Backbone interact. energy: 4.862 local terms energy: -704.466016 where: bonds (distance) C4'-P energy: -154.001 bonds (distance) P-C4' energy: -163.216 flat angles C4'-P-C4' energy: -170.290 flat angles P-C4'-P energy: -96.853 tors. eta vs tors. theta energy: -120.106 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: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1641.984336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.984336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.984336 (E_RNA) where: Base-Base interactions energy: -971.900 where: short stacking energy: -488.176 Base-Backbone interact. energy: -0.098 local terms energy: -669.986251 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -172.227 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -110.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1435.085233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.085233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.085233 (E_RNA) where: Base-Base interactions energy: -895.600 where: short stacking energy: -419.747 Base-Backbone interact. energy: -0.841 local terms energy: -538.644845 where: bonds (distance) C4'-P energy: -128.161 bonds (distance) P-C4' energy: -128.264 flat angles C4'-P-C4' energy: -147.485 flat angles P-C4'-P energy: -77.858 tors. eta vs tors. theta energy: -56.878 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: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1017.142794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.142794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.142794 (E_RNA) where: Base-Base interactions energy: -514.422 where: short stacking energy: -284.340 Base-Backbone interact. energy: -4.138 local terms energy: -498.582276 where: bonds (distance) C4'-P energy: -150.329 bonds (distance) P-C4' energy: -151.448 flat angles C4'-P-C4' energy: -137.283 flat angles P-C4'-P energy: -58.975 tors. eta vs tors. theta energy: -0.548 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: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3235.444436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.444436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.444436 (E_RNA) where: Base-Base interactions energy: -2243.466 where: short stacking energy: -961.029 Base-Backbone interact. energy: -6.110 local terms energy: -985.868957 where: bonds (distance) C4'-P energy: -186.513 bonds (distance) P-C4' energy: -180.678 flat angles C4'-P-C4' energy: -210.075 flat angles P-C4'-P energy: -129.920 tors. eta vs tors. theta energy: -278.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -3131.393102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.393102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.393102 (E_RNA) where: Base-Base interactions energy: -2156.214 where: short stacking energy: -945.020 Base-Backbone interact. energy: -6.240 local terms energy: -968.939536 where: bonds (distance) C4'-P energy: -180.580 bonds (distance) P-C4' energy: -177.833 flat angles C4'-P-C4' energy: -202.197 flat angles P-C4'-P energy: -132.436 tors. eta vs tors. theta energy: -275.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2932.496265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.496265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.496265 (E_RNA) where: Base-Base interactions energy: -2015.992 where: short stacking energy: -868.226 Base-Backbone interact. energy: -4.920 local terms energy: -911.584019 where: bonds (distance) C4'-P energy: -175.331 bonds (distance) P-C4' energy: -178.690 flat angles C4'-P-C4' energy: -186.875 flat angles P-C4'-P energy: -134.146 tors. eta vs tors. theta energy: -236.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2804.735264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.735264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.735264 (E_RNA) where: Base-Base interactions energy: -1931.615 where: short stacking energy: -811.270 Base-Backbone interact. energy: -5.068 local terms energy: -868.052354 where: bonds (distance) C4'-P energy: -150.661 bonds (distance) P-C4' energy: -161.949 flat angles C4'-P-C4' energy: -187.625 flat angles P-C4'-P energy: -133.490 tors. eta vs tors. theta energy: -234.327 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: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2623.475001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.475001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.475001 (E_RNA) where: Base-Base interactions energy: -1785.188 where: short stacking energy: -754.079 Base-Backbone interact. energy: -3.372 local terms energy: -834.915195 where: bonds (distance) C4'-P energy: -172.123 bonds (distance) P-C4' energy: -182.382 flat angles C4'-P-C4' energy: -171.869 flat angles P-C4'-P energy: -110.551 tors. eta vs tors. theta energy: -197.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2391.761782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.761782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.761782 (E_RNA) where: Base-Base interactions energy: -1650.235 where: short stacking energy: -696.487 Base-Backbone interact. energy: 3.948 local terms energy: -745.474870 where: bonds (distance) C4'-P energy: -155.290 bonds (distance) P-C4' energy: -144.577 flat angles C4'-P-C4' energy: -173.376 flat angles P-C4'-P energy: -116.019 tors. eta vs tors. theta energy: -156.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1906.319733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.319733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.319733 (E_RNA) where: Base-Base interactions energy: -1204.000 where: short stacking energy: -563.821 Base-Backbone interact. energy: -4.010 local terms energy: -698.309629 where: bonds (distance) C4'-P energy: -154.437 bonds (distance) P-C4' energy: -158.490 flat angles C4'-P-C4' energy: -152.646 flat angles P-C4'-P energy: -113.387 tors. eta vs tors. theta energy: -119.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1608.432484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.432484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.432484 (E_RNA) where: Base-Base interactions energy: -1012.812 where: short stacking energy: -482.102 Base-Backbone interact. energy: 6.632 local terms energy: -602.252723 where: bonds (distance) C4'-P energy: -137.294 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -159.089 flat angles P-C4'-P energy: -99.249 tors. eta vs tors. theta energy: -70.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1429.489005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.489005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.489005 (E_RNA) where: Base-Base interactions energy: -871.104 where: short stacking energy: -442.242 Base-Backbone interact. energy: -5.225 local terms energy: -553.159920 where: bonds (distance) C4'-P energy: -158.233 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -118.491 flat angles P-C4'-P energy: -86.171 tors. eta vs tors. theta energy: -55.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1081.726245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.726245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.726245 (E_RNA) where: Base-Base interactions energy: -582.887 where: short stacking energy: -329.444 Base-Backbone interact. energy: 0.773 local terms energy: -499.612440 where: bonds (distance) C4'-P energy: -143.945 bonds (distance) P-C4' energy: -158.094 flat angles C4'-P-C4' energy: -113.470 flat angles P-C4'-P energy: -66.351 tors. eta vs tors. theta energy: -17.752 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: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3182.434445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.434445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.434445 (E_RNA) where: Base-Base interactions energy: -2208.398 where: short stacking energy: -948.504 Base-Backbone interact. energy: -2.618 local terms energy: -971.418531 where: bonds (distance) C4'-P energy: -170.269 bonds (distance) P-C4' energy: -186.202 flat angles C4'-P-C4' energy: -218.410 flat angles P-C4'-P energy: -134.692 tors. eta vs tors. theta energy: -261.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -3110.482058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.482058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.482058 (E_RNA) where: Base-Base interactions energy: -2122.388 where: short stacking energy: -911.105 Base-Backbone interact. energy: -2.242 local terms energy: -985.851353 where: bonds (distance) C4'-P energy: -198.031 bonds (distance) P-C4' energy: -165.679 flat angles C4'-P-C4' energy: -215.616 flat angles P-C4'-P energy: -136.516 tors. eta vs tors. theta energy: -270.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2923.569093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.569093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.569093 (E_RNA) where: Base-Base interactions energy: -2025.300 where: short stacking energy: -867.567 Base-Backbone interact. energy: -5.175 local terms energy: -893.094622 where: bonds (distance) C4'-P energy: -156.570 bonds (distance) P-C4' energy: -188.376 flat angles C4'-P-C4' energy: -197.913 flat angles P-C4'-P energy: -119.425 tors. eta vs tors. theta energy: -230.811 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: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2780.169955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.169955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.169955 (E_RNA) where: Base-Base interactions energy: -1910.794 where: short stacking energy: -837.596 Base-Backbone interact. energy: 5.787 local terms energy: -875.163816 where: bonds (distance) C4'-P energy: -152.731 bonds (distance) P-C4' energy: -170.954 flat angles C4'-P-C4' energy: -194.879 flat angles P-C4'-P energy: -120.015 tors. eta vs tors. theta energy: -236.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2632.453709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.453709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.453709 (E_RNA) where: Base-Base interactions energy: -1796.752 where: short stacking energy: -804.196 Base-Backbone interact. energy: -4.285 local terms energy: -831.416831 where: bonds (distance) C4'-P energy: -143.865 bonds (distance) P-C4' energy: -173.016 flat angles C4'-P-C4' energy: -164.742 flat angles P-C4'-P energy: -130.101 tors. eta vs tors. theta energy: -219.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2358.124780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.124780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.124780 (E_RNA) where: Base-Base interactions energy: -1576.042 where: short stacking energy: -695.167 Base-Backbone interact. energy: -1.018 local terms energy: -781.064865 where: bonds (distance) C4'-P energy: -155.107 bonds (distance) P-C4' energy: -174.002 flat angles C4'-P-C4' energy: -178.726 flat angles P-C4'-P energy: -104.461 tors. eta vs tors. theta energy: -168.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1940.287953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.287953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.287953 (E_RNA) where: Base-Base interactions energy: -1301.721 where: short stacking energy: -543.800 Base-Backbone interact. energy: 4.508 local terms energy: -643.075238 where: bonds (distance) C4'-P energy: -153.096 bonds (distance) P-C4' energy: -140.994 flat angles C4'-P-C4' energy: -161.580 flat angles P-C4'-P energy: -76.285 tors. eta vs tors. theta energy: -111.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1735.041852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.041852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.041852 (E_RNA) where: Base-Base interactions energy: -1106.157 where: short stacking energy: -473.679 Base-Backbone interact. energy: -1.054 local terms energy: -627.830543 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -157.598 flat angles C4'-P-C4' energy: -148.225 flat angles P-C4'-P energy: -106.636 tors. eta vs tors. theta energy: -78.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1419.887926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.887926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.887926 (E_RNA) where: Base-Base interactions energy: -899.311 where: short stacking energy: -436.996 Base-Backbone interact. energy: 1.674 local terms energy: -522.251389 where: bonds (distance) C4'-P energy: -148.017 bonds (distance) P-C4' energy: -123.997 flat angles C4'-P-C4' energy: -121.983 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: -54.596 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: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1011.287439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.287439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.287439 (E_RNA) where: Base-Base interactions energy: -495.362 where: short stacking energy: -293.868 Base-Backbone interact. energy: 3.087 local terms energy: -519.011864 where: bonds (distance) C4'-P energy: -152.034 bonds (distance) P-C4' energy: -161.462 flat angles C4'-P-C4' energy: -139.214 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3213.175439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.175439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.175439 (E_RNA) where: Base-Base interactions energy: -2198.972 where: short stacking energy: -930.789 Base-Backbone interact. energy: -3.478 local terms energy: -1010.726039 where: bonds (distance) C4'-P energy: -184.092 bonds (distance) P-C4' energy: -190.328 flat angles C4'-P-C4' energy: -221.827 flat angles P-C4'-P energy: -140.506 tors. eta vs tors. theta energy: -273.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -3154.841740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.841740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.841740 (E_RNA) where: Base-Base interactions energy: -2166.728 where: short stacking energy: -952.197 Base-Backbone interact. energy: -0.774 local terms energy: -987.340713 where: bonds (distance) C4'-P energy: -170.852 bonds (distance) P-C4' energy: -175.856 flat angles C4'-P-C4' energy: -218.810 flat angles P-C4'-P energy: -154.315 tors. eta vs tors. theta energy: -267.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2960.429846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.429846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.429846 (E_RNA) where: Base-Base interactions energy: -2039.385 where: short stacking energy: -886.085 Base-Backbone interact. energy: -6.550 local terms energy: -914.494962 where: bonds (distance) C4'-P energy: -161.406 bonds (distance) P-C4' energy: -185.760 flat angles C4'-P-C4' energy: -196.264 flat angles P-C4'-P energy: -137.482 tors. eta vs tors. theta energy: -233.582 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: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2857.488276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.488276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.488276 (E_RNA) where: Base-Base interactions energy: -2001.062 where: short stacking energy: -831.067 Base-Backbone interact. energy: -5.738 local terms energy: -850.689026 where: bonds (distance) C4'-P energy: -155.834 bonds (distance) P-C4' energy: -167.087 flat angles C4'-P-C4' energy: -183.025 flat angles P-C4'-P energy: -124.299 tors. eta vs tors. theta energy: -220.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2609.237894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.237894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.237894 (E_RNA) where: Base-Base interactions energy: -1770.935 where: short stacking energy: -764.251 Base-Backbone interact. energy: -4.077 local terms energy: -834.226273 where: bonds (distance) C4'-P energy: -161.010 bonds (distance) P-C4' energy: -162.670 flat angles C4'-P-C4' energy: -191.166 flat angles P-C4'-P energy: -111.618 tors. eta vs tors. theta energy: -207.763 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: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2333.376136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.376136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.376136 (E_RNA) where: Base-Base interactions energy: -1544.423 where: short stacking energy: -712.917 Base-Backbone interact. energy: -2.117 local terms energy: -786.836159 where: bonds (distance) C4'-P energy: -173.273 bonds (distance) P-C4' energy: -146.784 flat angles C4'-P-C4' energy: -183.295 flat angles P-C4'-P energy: -116.074 tors. eta vs tors. theta energy: -167.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1948.891582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.891582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.891582 (E_RNA) where: Base-Base interactions energy: -1259.979 where: short stacking energy: -572.103 Base-Backbone interact. energy: 0.208 local terms energy: -689.121007 where: bonds (distance) C4'-P energy: -159.041 bonds (distance) P-C4' energy: -163.790 flat angles C4'-P-C4' energy: -165.777 flat angles P-C4'-P energy: -94.065 tors. eta vs tors. theta energy: -106.447 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: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1748.560087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.560087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.560087 (E_RNA) where: Base-Base interactions energy: -1111.712 where: short stacking energy: -516.917 Base-Backbone interact. energy: 2.811 local terms energy: -639.659282 where: bonds (distance) C4'-P energy: -126.965 bonds (distance) P-C4' energy: -157.890 flat angles C4'-P-C4' energy: -168.731 flat angles P-C4'-P energy: -87.156 tors. eta vs tors. theta energy: -98.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1388.674109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.674109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.674109 (E_RNA) where: Base-Base interactions energy: -817.823 where: short stacking energy: -362.992 Base-Backbone interact. energy: 10.883 local terms energy: -581.734255 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -170.602 flat angles C4'-P-C4' energy: -129.556 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -43.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1011.812605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.812605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.812605 (E_RNA) where: Base-Base interactions energy: -557.605 where: short stacking energy: -293.351 Base-Backbone interact. energy: -3.326 local terms energy: -450.881629 where: bonds (distance) C4'-P energy: -135.169 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -122.711 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: 2.047 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: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3213.139276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.139276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.139276 (E_RNA) where: Base-Base interactions energy: -2194.796 where: short stacking energy: -935.923 Base-Backbone interact. energy: -5.515 local terms energy: -1012.828349 where: bonds (distance) C4'-P energy: -190.126 bonds (distance) P-C4' energy: -199.724 flat angles C4'-P-C4' energy: -218.142 flat angles P-C4'-P energy: -127.746 tors. eta vs tors. theta energy: -277.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -3148.722347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.722347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.722347 (E_RNA) where: Base-Base interactions energy: -2182.259 where: short stacking energy: -958.884 Base-Backbone interact. energy: -5.005 local terms energy: -961.458561 where: bonds (distance) C4'-P energy: -164.745 bonds (distance) P-C4' energy: -175.457 flat angles C4'-P-C4' energy: -206.000 flat angles P-C4'-P energy: -129.482 tors. eta vs tors. theta energy: -285.774 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: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2938.986864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.986864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.986864 (E_RNA) where: Base-Base interactions energy: -2059.793 where: short stacking energy: -904.106 Base-Backbone interact. energy: -1.774 local terms energy: -877.420151 where: bonds (distance) C4'-P energy: -147.183 bonds (distance) P-C4' energy: -156.365 flat angles C4'-P-C4' energy: -203.635 flat angles P-C4'-P energy: -134.753 tors. eta vs tors. theta energy: -235.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2826.680338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.680338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.680338 (E_RNA) where: Base-Base interactions energy: -1950.978 where: short stacking energy: -833.377 Base-Backbone interact. energy: -3.653 local terms energy: -872.050000 where: bonds (distance) C4'-P energy: -171.816 bonds (distance) P-C4' energy: -159.451 flat angles C4'-P-C4' energy: -184.665 flat angles P-C4'-P energy: -122.391 tors. eta vs tors. theta energy: -233.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2516.647841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.647841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.647841 (E_RNA) where: Base-Base interactions energy: -1702.335 where: short stacking energy: -737.870 Base-Backbone interact. energy: -1.524 local terms energy: -812.788826 where: bonds (distance) C4'-P energy: -164.378 bonds (distance) P-C4' energy: -167.109 flat angles C4'-P-C4' energy: -193.416 flat angles P-C4'-P energy: -124.148 tors. eta vs tors. theta energy: -163.738 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: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2394.566636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.566636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.566636 (E_RNA) where: Base-Base interactions energy: -1577.046 where: short stacking energy: -694.119 Base-Backbone interact. energy: -3.819 local terms energy: -813.701945 where: bonds (distance) C4'-P energy: -158.258 bonds (distance) P-C4' energy: -159.712 flat angles C4'-P-C4' energy: -181.267 flat angles P-C4'-P energy: -114.568 tors. eta vs tors. theta energy: -199.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1963.156088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.156088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.156088 (E_RNA) where: Base-Base interactions energy: -1238.865 where: short stacking energy: -606.748 Base-Backbone interact. energy: -2.489 local terms energy: -721.802435 where: bonds (distance) C4'-P energy: -149.733 bonds (distance) P-C4' energy: -156.379 flat angles C4'-P-C4' energy: -172.479 flat angles P-C4'-P energy: -105.666 tors. eta vs tors. theta energy: -137.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1753.357096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.357096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.357096 (E_RNA) where: Base-Base interactions energy: -1075.249 where: short stacking energy: -509.153 Base-Backbone interact. energy: -3.234 local terms energy: -674.874034 where: bonds (distance) C4'-P energy: -133.689 bonds (distance) P-C4' energy: -166.994 flat angles C4'-P-C4' energy: -175.106 flat angles P-C4'-P energy: -98.322 tors. eta vs tors. theta energy: -100.763 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: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1409.456295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.456295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.456295 (E_RNA) where: Base-Base interactions energy: -822.213 where: short stacking energy: -425.475 Base-Backbone interact. energy: -1.401 local terms energy: -585.842053 where: bonds (distance) C4'-P energy: -145.975 bonds (distance) P-C4' energy: -165.633 flat angles C4'-P-C4' energy: -135.954 flat angles P-C4'-P energy: -78.850 tors. eta vs tors. theta energy: -59.430 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: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1009.598959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.598959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.598959 (E_RNA) where: Base-Base interactions energy: -544.974 where: short stacking energy: -298.174 Base-Backbone interact. energy: -3.855 local terms energy: -460.769500 where: bonds (distance) C4'-P energy: -113.724 bonds (distance) P-C4' energy: -139.578 flat angles C4'-P-C4' energy: -123.236 flat angles P-C4'-P energy: -83.365 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3215.883668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.883668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.883668 (E_RNA) where: Base-Base interactions energy: -2247.063 where: short stacking energy: -938.063 Base-Backbone interact. energy: -2.976 local terms energy: -965.844908 where: bonds (distance) C4'-P energy: -191.059 bonds (distance) P-C4' energy: -180.126 flat angles C4'-P-C4' energy: -198.217 flat angles P-C4'-P energy: -131.672 tors. eta vs tors. theta energy: -264.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -3150.241416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.241416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.241416 (E_RNA) where: Base-Base interactions energy: -2177.071 where: short stacking energy: -945.641 Base-Backbone interact. energy: -2.823 local terms energy: -970.346700 where: bonds (distance) C4'-P energy: -175.788 bonds (distance) P-C4' energy: -178.331 flat angles C4'-P-C4' energy: -212.856 flat angles P-C4'-P energy: -134.895 tors. eta vs tors. theta energy: -268.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2957.801708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.801708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.801708 (E_RNA) where: Base-Base interactions energy: -2026.771 where: short stacking energy: -883.120 Base-Backbone interact. energy: 3.960 local terms energy: -934.990680 where: bonds (distance) C4'-P energy: -179.954 bonds (distance) P-C4' energy: -165.781 flat angles C4'-P-C4' energy: -203.227 flat angles P-C4'-P energy: -131.394 tors. eta vs tors. theta energy: -254.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2831.353021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.353021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.353021 (E_RNA) where: Base-Base interactions energy: -1931.854 where: short stacking energy: -790.986 Base-Backbone interact. energy: -1.394 local terms energy: -898.105694 where: bonds (distance) C4'-P energy: -173.541 bonds (distance) P-C4' energy: -180.852 flat angles C4'-P-C4' energy: -186.895 flat angles P-C4'-P energy: -122.945 tors. eta vs tors. theta energy: -233.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2526.667953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.667953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.667953 (E_RNA) where: Base-Base interactions energy: -1741.525 where: short stacking energy: -734.459 Base-Backbone interact. energy: -2.447 local terms energy: -782.696005 where: bonds (distance) C4'-P energy: -158.051 bonds (distance) P-C4' energy: -174.597 flat angles C4'-P-C4' energy: -176.847 flat angles P-C4'-P energy: -100.524 tors. eta vs tors. theta energy: -172.677 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: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2398.111243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.111243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.111243 (E_RNA) where: Base-Base interactions energy: -1601.833 where: short stacking energy: -692.229 Base-Backbone interact. energy: 0.981 local terms energy: -797.259472 where: bonds (distance) C4'-P energy: -145.483 bonds (distance) P-C4' energy: -169.681 flat angles C4'-P-C4' energy: -182.591 flat angles P-C4'-P energy: -118.543 tors. eta vs tors. theta energy: -180.961 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: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1999.114143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.114143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.114143 (E_RNA) where: Base-Base interactions energy: -1298.532 where: short stacking energy: -579.745 Base-Backbone interact. energy: -2.235 local terms energy: -698.347286 where: bonds (distance) C4'-P energy: -141.377 bonds (distance) P-C4' energy: -147.398 flat angles C4'-P-C4' energy: -162.753 flat angles P-C4'-P energy: -113.547 tors. eta vs tors. theta energy: -133.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1669.119627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.119627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.119627 (E_RNA) where: Base-Base interactions energy: -1032.144 where: short stacking energy: -495.978 Base-Backbone interact. energy: 2.158 local terms energy: -639.133843 where: bonds (distance) C4'-P energy: -163.501 bonds (distance) P-C4' energy: -138.884 flat angles C4'-P-C4' energy: -149.148 flat angles P-C4'-P energy: -103.446 tors. eta vs tors. theta energy: -84.154 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: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1456.854544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.854544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.854544 (E_RNA) where: Base-Base interactions energy: -893.938 where: short stacking energy: -436.363 Base-Backbone interact. energy: -0.273 local terms energy: -562.643284 where: bonds (distance) C4'-P energy: -120.895 bonds (distance) P-C4' energy: -157.372 flat angles C4'-P-C4' energy: -139.752 flat angles P-C4'-P energy: -83.692 tors. eta vs tors. theta energy: -60.933 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: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -969.881301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.881301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.881301 (E_RNA) where: Base-Base interactions energy: -550.729 where: short stacking energy: -270.631 Base-Backbone interact. energy: 8.597 local terms energy: -427.748956 where: bonds (distance) C4'-P energy: -128.811 bonds (distance) P-C4' energy: -154.566 flat angles C4'-P-C4' energy: -125.923 flat angles P-C4'-P energy: -31.305 tors. eta vs tors. theta energy: 12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3186.777159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.777159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.777159 (E_RNA) where: Base-Base interactions energy: -2182.145 where: short stacking energy: -914.624 Base-Backbone interact. energy: -6.155 local terms energy: -998.476386 where: bonds (distance) C4'-P energy: -195.719 bonds (distance) P-C4' energy: -178.372 flat angles C4'-P-C4' energy: -209.285 flat angles P-C4'-P energy: -151.812 tors. eta vs tors. theta energy: -263.288 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: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -3110.236606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.236606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.236606 (E_RNA) where: Base-Base interactions energy: -2128.744 where: short stacking energy: -932.206 Base-Backbone interact. energy: -0.677 local terms energy: -980.815463 where: bonds (distance) C4'-P energy: -183.043 bonds (distance) P-C4' energy: -169.115 flat angles C4'-P-C4' energy: -225.012 flat angles P-C4'-P energy: -137.988 tors. eta vs tors. theta energy: -265.658 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: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2974.652805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.652805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.652805 (E_RNA) where: Base-Base interactions energy: -2032.643 where: short stacking energy: -894.245 Base-Backbone interact. energy: -5.092 local terms energy: -936.917981 where: bonds (distance) C4'-P energy: -161.863 bonds (distance) P-C4' energy: -176.983 flat angles C4'-P-C4' energy: -213.268 flat angles P-C4'-P energy: -136.414 tors. eta vs tors. theta energy: -248.390 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: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2844.094121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.094121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.094121 (E_RNA) where: Base-Base interactions energy: -1986.931 where: short stacking energy: -839.356 Base-Backbone interact. energy: 0.529 local terms energy: -857.692584 where: bonds (distance) C4'-P energy: -161.046 bonds (distance) P-C4' energy: -138.315 flat angles C4'-P-C4' energy: -194.090 flat angles P-C4'-P energy: -128.873 tors. eta vs tors. theta energy: -235.369 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: 273 Temperature: 1.100000 Total energy: -2526.592289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.592289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.592289 (E_RNA) where: Base-Base interactions energy: -1731.573 where: short stacking energy: -722.991 Base-Backbone interact. energy: -2.588 local terms energy: -792.431699 where: bonds (distance) C4'-P energy: -164.135 bonds (distance) P-C4' energy: -163.815 flat angles C4'-P-C4' energy: -177.375 flat angles P-C4'-P energy: -105.673 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: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2373.983839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.983839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.983839 (E_RNA) where: Base-Base interactions energy: -1611.771 where: short stacking energy: -701.908 Base-Backbone interact. energy: -3.442 local terms energy: -758.770276 where: bonds (distance) C4'-P energy: -160.187 bonds (distance) P-C4' energy: -146.259 flat angles C4'-P-C4' energy: -185.246 flat angles P-C4'-P energy: -92.816 tors. eta vs tors. theta energy: -174.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2066.808765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.808765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.808765 (E_RNA) where: Base-Base interactions energy: -1349.240 where: short stacking energy: -600.928 Base-Backbone interact. energy: 0.297 local terms energy: -717.865780 where: bonds (distance) C4'-P energy: -142.855 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -178.902 flat angles P-C4'-P energy: -113.877 tors. eta vs tors. theta energy: -123.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1626.234164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.234164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.234164 (E_RNA) where: Base-Base interactions energy: -1029.559 where: short stacking energy: -454.035 Base-Backbone interact. energy: -0.849 local terms energy: -595.826803 where: bonds (distance) C4'-P energy: -140.009 bonds (distance) P-C4' energy: -155.151 flat angles C4'-P-C4' energy: -149.858 flat angles P-C4'-P energy: -67.600 tors. eta vs tors. theta energy: -83.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1501.459190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.459190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.459190 (E_RNA) where: Base-Base interactions energy: -929.359 where: short stacking energy: -443.521 Base-Backbone interact. energy: 0.852 local terms energy: -572.952146 where: bonds (distance) C4'-P energy: -141.903 bonds (distance) P-C4' energy: -151.571 flat angles C4'-P-C4' energy: -136.561 flat angles P-C4'-P energy: -74.435 tors. eta vs tors. theta energy: -68.481 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -969.699692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.699692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.699692 (E_RNA) where: Base-Base interactions energy: -496.680 where: short stacking energy: -273.374 Base-Backbone interact. energy: 1.052 local terms energy: -474.070886 where: bonds (distance) C4'-P energy: -153.434 bonds (distance) P-C4' energy: -140.189 flat angles C4'-P-C4' energy: -119.792 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: 5.741 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: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3169.991018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.991018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.991018 (E_RNA) where: Base-Base interactions energy: -2198.547 where: short stacking energy: -942.641 Base-Backbone interact. energy: -5.217 local terms energy: -966.227086 where: bonds (distance) C4'-P energy: -187.510 bonds (distance) P-C4' energy: -189.436 flat angles C4'-P-C4' energy: -204.102 flat angles P-C4'-P energy: -125.646 tors. eta vs tors. theta energy: -259.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3076.957848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.957848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.957848 (E_RNA) where: Base-Base interactions energy: -2113.845 where: short stacking energy: -919.701 Base-Backbone interact. energy: -3.676 local terms energy: -959.436407 where: bonds (distance) C4'-P energy: -165.612 bonds (distance) P-C4' energy: -188.374 flat angles C4'-P-C4' energy: -206.674 flat angles P-C4'-P energy: -132.568 tors. eta vs tors. theta energy: -266.208 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: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2941.996027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.996027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.996027 (E_RNA) where: Base-Base interactions energy: -1994.689 where: short stacking energy: -874.486 Base-Backbone interact. energy: -3.227 local terms energy: -944.079742 where: bonds (distance) C4'-P energy: -175.660 bonds (distance) P-C4' energy: -168.876 flat angles C4'-P-C4' energy: -202.176 flat angles P-C4'-P energy: -139.941 tors. eta vs tors. theta energy: -257.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2858.028791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.028791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.028791 (E_RNA) where: Base-Base interactions energy: -1967.287 where: short stacking energy: -839.129 Base-Backbone interact. energy: -4.454 local terms energy: -886.287821 where: bonds (distance) C4'-P energy: -166.154 bonds (distance) P-C4' energy: -173.201 flat angles C4'-P-C4' energy: -192.510 flat angles P-C4'-P energy: -122.462 tors. eta vs tors. theta energy: -231.962 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: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2507.578721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.578721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.578721 (E_RNA) where: Base-Base interactions energy: -1721.859 where: short stacking energy: -760.455 Base-Backbone interact. energy: 2.282 local terms energy: -788.002241 where: bonds (distance) C4'-P energy: -154.386 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -169.796 flat angles P-C4'-P energy: -119.223 tors. eta vs tors. theta energy: -197.079 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: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2374.093564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.093564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.093564 (E_RNA) where: Base-Base interactions energy: -1570.740 where: short stacking energy: -686.647 Base-Backbone interact. energy: -3.828 local terms energy: -799.525556 where: bonds (distance) C4'-P energy: -159.189 bonds (distance) P-C4' energy: -176.144 flat angles C4'-P-C4' energy: -174.380 flat angles P-C4'-P energy: -122.627 tors. eta vs tors. theta energy: -167.185 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: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1995.412697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.412697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.412697 (E_RNA) where: Base-Base interactions energy: -1270.220 where: short stacking energy: -586.762 Base-Backbone interact. energy: -4.372 local terms energy: -720.820886 where: bonds (distance) C4'-P energy: -142.624 bonds (distance) P-C4' energy: -162.953 flat angles C4'-P-C4' energy: -169.132 flat angles P-C4'-P energy: -113.618 tors. eta vs tors. theta energy: -132.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1627.355195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.355195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.355195 (E_RNA) where: Base-Base interactions energy: -985.014 where: short stacking energy: -431.423 Base-Backbone interact. energy: -2.871 local terms energy: -639.470128 where: bonds (distance) C4'-P energy: -152.805 bonds (distance) P-C4' energy: -164.481 flat angles C4'-P-C4' energy: -159.310 flat angles P-C4'-P energy: -101.242 tors. eta vs tors. theta energy: -61.633 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: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1472.335217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.335217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.335217 (E_RNA) where: Base-Base interactions energy: -877.607 where: short stacking energy: -418.498 Base-Backbone interact. energy: 2.894 local terms energy: -597.622041 where: bonds (distance) C4'-P energy: -158.742 bonds (distance) P-C4' energy: -146.057 flat angles C4'-P-C4' energy: -158.788 flat angles P-C4'-P energy: -78.363 tors. eta vs tors. theta energy: -55.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1026.284598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.284598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.284598 (E_RNA) where: Base-Base interactions energy: -539.857 where: short stacking energy: -292.512 Base-Backbone interact. energy: 1.541 local terms energy: -487.968861 where: bonds (distance) C4'-P energy: -143.965 bonds (distance) P-C4' energy: -143.831 flat angles C4'-P-C4' energy: -114.867 flat angles P-C4'-P energy: -91.238 tors. eta vs tors. theta energy: 5.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3166.265395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.265395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.265395 (E_RNA) where: Base-Base interactions energy: -2184.029 where: short stacking energy: -917.666 Base-Backbone interact. energy: -2.268 local terms energy: -979.968119 where: bonds (distance) C4'-P energy: -180.855 bonds (distance) P-C4' energy: -178.204 flat angles C4'-P-C4' energy: -206.303 flat angles P-C4'-P energy: -142.654 tors. eta vs tors. theta energy: -271.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -3086.933361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.933361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.933361 (E_RNA) where: Base-Base interactions energy: -2114.501 where: short stacking energy: -935.111 Base-Backbone interact. energy: -4.543 local terms energy: -967.889575 where: bonds (distance) C4'-P energy: -173.498 bonds (distance) P-C4' energy: -188.357 flat angles C4'-P-C4' energy: -208.761 flat angles P-C4'-P energy: -137.090 tors. eta vs tors. theta energy: -260.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2916.830767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.830767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.830767 (E_RNA) where: Base-Base interactions energy: -2003.357 where: short stacking energy: -849.971 Base-Backbone interact. energy: -4.329 local terms energy: -909.144350 where: bonds (distance) C4'-P energy: -168.159 bonds (distance) P-C4' energy: -170.158 flat angles C4'-P-C4' energy: -201.409 flat angles P-C4'-P energy: -133.412 tors. eta vs tors. theta energy: -236.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2873.360738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.360738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.360738 (E_RNA) where: Base-Base interactions energy: -1992.639 where: short stacking energy: -845.895 Base-Backbone interact. energy: -2.884 local terms energy: -877.837278 where: bonds (distance) C4'-P energy: -152.999 bonds (distance) P-C4' energy: -178.529 flat angles C4'-P-C4' energy: -187.483 flat angles P-C4'-P energy: -120.685 tors. eta vs tors. theta energy: -238.142 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: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2468.985132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.985132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.985132 (E_RNA) where: Base-Base interactions energy: -1659.809 where: short stacking energy: -713.008 Base-Backbone interact. energy: -3.429 local terms energy: -805.746852 where: bonds (distance) C4'-P energy: -161.980 bonds (distance) P-C4' energy: -172.184 flat angles C4'-P-C4' energy: -190.065 flat angles P-C4'-P energy: -114.908 tors. eta vs tors. theta energy: -166.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2366.948400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.948400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.948400 (E_RNA) where: Base-Base interactions energy: -1607.089 where: short stacking energy: -725.072 Base-Backbone interact. energy: 6.159 local terms energy: -766.018439 where: bonds (distance) C4'-P energy: -149.240 bonds (distance) P-C4' energy: -153.991 flat angles C4'-P-C4' energy: -161.164 flat angles P-C4'-P energy: -119.538 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: 7, replica: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1970.575408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.575408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.575408 (E_RNA) where: Base-Base interactions energy: -1298.971 where: short stacking energy: -570.970 Base-Backbone interact. energy: -5.415 local terms energy: -666.189184 where: bonds (distance) C4'-P energy: -146.784 bonds (distance) P-C4' energy: -157.331 flat angles C4'-P-C4' energy: -154.972 flat angles P-C4'-P energy: -84.486 tors. eta vs tors. theta energy: -122.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1684.221785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.221785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.221785 (E_RNA) where: Base-Base interactions energy: -1099.172 where: short stacking energy: -466.647 Base-Backbone interact. energy: -3.130 local terms energy: -581.919682 where: bonds (distance) C4'-P energy: -146.428 bonds (distance) P-C4' energy: -163.137 flat angles C4'-P-C4' energy: -155.110 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -61.305 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: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1492.964812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.964812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.964812 (E_RNA) where: Base-Base interactions energy: -930.479 where: short stacking energy: -458.822 Base-Backbone interact. energy: 7.677 local terms energy: -570.163402 where: bonds (distance) C4'-P energy: -117.030 bonds (distance) P-C4' energy: -143.074 flat angles C4'-P-C4' energy: -133.183 flat angles P-C4'-P energy: -103.312 tors. eta vs tors. theta energy: -73.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -996.444355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.444355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.444355 (E_RNA) where: Base-Base interactions energy: -523.464 where: short stacking energy: -303.954 Base-Backbone interact. energy: 2.770 local terms energy: -475.750894 where: bonds (distance) C4'-P energy: -140.818 bonds (distance) P-C4' energy: -152.002 flat angles C4'-P-C4' energy: -121.536 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3166.225857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.225857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.225857 (E_RNA) where: Base-Base interactions energy: -2196.826 where: short stacking energy: -930.676 Base-Backbone interact. energy: -6.103 local terms energy: -963.297132 where: bonds (distance) C4'-P energy: -178.802 bonds (distance) P-C4' energy: -185.809 flat angles C4'-P-C4' energy: -207.482 flat angles P-C4'-P energy: -128.886 tors. eta vs tors. theta energy: -262.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -3115.339931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.339931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.339931 (E_RNA) where: Base-Base interactions energy: -2151.896 where: short stacking energy: -918.239 Base-Backbone interact. energy: 1.077 local terms energy: -964.520849 where: bonds (distance) C4'-P energy: -172.418 bonds (distance) P-C4' energy: -188.859 flat angles C4'-P-C4' energy: -197.881 flat angles P-C4'-P energy: -137.273 tors. eta vs tors. theta energy: -268.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2940.048118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.048118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.048118 (E_RNA) where: Base-Base interactions energy: -2010.699 where: short stacking energy: -911.693 Base-Backbone interact. energy: -4.016 local terms energy: -925.332882 where: bonds (distance) C4'-P energy: -175.325 bonds (distance) P-C4' energy: -175.499 flat angles C4'-P-C4' energy: -185.406 flat angles P-C4'-P energy: -129.352 tors. eta vs tors. theta energy: -259.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2830.632838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.632838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.632838 (E_RNA) where: Base-Base interactions energy: -1943.676 where: short stacking energy: -858.561 Base-Backbone interact. energy: -8.582 local terms energy: -878.374779 where: bonds (distance) C4'-P energy: -164.765 bonds (distance) P-C4' energy: -166.363 flat angles C4'-P-C4' energy: -202.094 flat angles P-C4'-P energy: -121.447 tors. eta vs tors. theta energy: -223.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2441.593986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.593986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.593986 (E_RNA) where: Base-Base interactions energy: -1653.492 where: short stacking energy: -754.119 Base-Backbone interact. energy: -4.458 local terms energy: -783.644355 where: bonds (distance) C4'-P energy: -148.694 bonds (distance) P-C4' energy: -170.640 flat angles C4'-P-C4' energy: -160.864 flat angles P-C4'-P energy: -128.207 tors. eta vs tors. theta energy: -175.240 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2372.223579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.223579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.223579 (E_RNA) where: Base-Base interactions energy: -1598.271 where: short stacking energy: -697.001 Base-Backbone interact. energy: 1.674 local terms energy: -775.625666 where: bonds (distance) C4'-P energy: -135.735 bonds (distance) P-C4' energy: -161.260 flat angles C4'-P-C4' energy: -178.289 flat angles P-C4'-P energy: -104.843 tors. eta vs tors. theta energy: -195.498 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: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2030.757950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.757950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.757950 (E_RNA) where: Base-Base interactions energy: -1336.874 where: short stacking energy: -616.338 Base-Backbone interact. energy: -2.412 local terms energy: -691.472165 where: bonds (distance) C4'-P energy: -149.270 bonds (distance) P-C4' energy: -165.399 flat angles C4'-P-C4' energy: -171.199 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -118.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1704.974112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.974112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.974112 (E_RNA) where: Base-Base interactions energy: -1087.434 where: short stacking energy: -494.823 Base-Backbone interact. energy: -0.869 local terms energy: -616.671432 where: bonds (distance) C4'-P energy: -144.421 bonds (distance) P-C4' energy: -137.990 flat angles C4'-P-C4' energy: -161.703 flat angles P-C4'-P energy: -98.215 tors. eta vs tors. theta energy: -74.342 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: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1518.029420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.029420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.029420 (E_RNA) where: Base-Base interactions energy: -899.335 where: short stacking energy: -423.302 Base-Backbone interact. energy: -4.444 local terms energy: -614.250462 where: bonds (distance) C4'-P energy: -139.353 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -143.294 flat angles P-C4'-P energy: -115.231 tors. eta vs tors. theta energy: -74.291 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: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1061.933216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.933216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.933216 (E_RNA) where: Base-Base interactions energy: -551.585 where: short stacking energy: -287.772 Base-Backbone interact. energy: -0.033 local terms energy: -510.315558 where: bonds (distance) C4'-P energy: -128.190 bonds (distance) P-C4' energy: -162.637 flat angles C4'-P-C4' energy: -136.333 flat angles P-C4'-P energy: -67.847 tors. eta vs tors. theta energy: -15.309 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: 277 Temperature: 0.900000 Total energy: -3201.409894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.409894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.409894 (E_RNA) where: Base-Base interactions energy: -2218.907 where: short stacking energy: -925.235 Base-Backbone interact. energy: -3.063 local terms energy: -979.439660 where: bonds (distance) C4'-P energy: -181.862 bonds (distance) P-C4' energy: -192.232 flat angles C4'-P-C4' energy: -208.763 flat angles P-C4'-P energy: -134.987 tors. eta vs tors. theta energy: -261.597 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: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3098.624062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.624062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.624062 (E_RNA) where: Base-Base interactions energy: -2170.556 where: short stacking energy: -919.093 Base-Backbone interact. energy: -5.542 local terms energy: -922.525292 where: bonds (distance) C4'-P energy: -158.996 bonds (distance) P-C4' energy: -159.337 flat angles C4'-P-C4' energy: -208.610 flat angles P-C4'-P energy: -141.646 tors. eta vs tors. theta energy: -253.936 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: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2979.960316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.960316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.960316 (E_RNA) where: Base-Base interactions energy: -2060.173 where: short stacking energy: -882.399 Base-Backbone interact. energy: -0.701 local terms energy: -919.087300 where: bonds (distance) C4'-P energy: -154.580 bonds (distance) P-C4' energy: -167.752 flat angles C4'-P-C4' energy: -201.009 flat angles P-C4'-P energy: -133.415 tors. eta vs tors. theta energy: -262.330 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: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2800.986738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.986738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.986738 (E_RNA) where: Base-Base interactions energy: -1908.845 where: short stacking energy: -805.115 Base-Backbone interact. energy: -3.459 local terms energy: -888.682821 where: bonds (distance) C4'-P energy: -157.011 bonds (distance) P-C4' energy: -173.555 flat angles C4'-P-C4' energy: -195.293 flat angles P-C4'-P energy: -123.712 tors. eta vs tors. theta energy: -239.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2445.339502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.339502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.339502 (E_RNA) where: Base-Base interactions energy: -1619.545 where: short stacking energy: -725.496 Base-Backbone interact. energy: -1.420 local terms energy: -824.375059 where: bonds (distance) C4'-P energy: -164.188 bonds (distance) P-C4' energy: -162.224 flat angles C4'-P-C4' energy: -168.285 flat angles P-C4'-P energy: -131.275 tors. eta vs tors. theta energy: -198.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2410.868881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.868881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.868881 (E_RNA) where: Base-Base interactions energy: -1564.636 where: short stacking energy: -669.286 Base-Backbone interact. energy: -8.865 local terms energy: -837.368679 where: bonds (distance) C4'-P energy: -175.407 bonds (distance) P-C4' energy: -179.807 flat angles C4'-P-C4' energy: -174.524 flat angles P-C4'-P energy: -122.621 tors. eta vs tors. theta energy: -185.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1996.590511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.590511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.590511 (E_RNA) where: Base-Base interactions energy: -1324.842 where: short stacking energy: -596.639 Base-Backbone interact. energy: -4.519 local terms energy: -667.229443 where: bonds (distance) C4'-P energy: -147.905 bonds (distance) P-C4' energy: -146.611 flat angles C4'-P-C4' energy: -155.599 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -127.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1730.760070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.760070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.760070 (E_RNA) where: Base-Base interactions energy: -1086.139 where: short stacking energy: -459.287 Base-Backbone interact. energy: 1.432 local terms energy: -646.053600 where: bonds (distance) C4'-P energy: -140.151 bonds (distance) P-C4' energy: -143.118 flat angles C4'-P-C4' energy: -154.662 flat angles P-C4'-P energy: -106.564 tors. eta vs tors. theta energy: -101.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1528.230961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.230961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.230961 (E_RNA) where: Base-Base interactions energy: -917.065 where: short stacking energy: -431.335 Base-Backbone interact. energy: 0.537 local terms energy: -611.703644 where: bonds (distance) C4'-P energy: -152.045 bonds (distance) P-C4' energy: -156.348 flat angles C4'-P-C4' energy: -145.630 flat angles P-C4'-P energy: -92.886 tors. eta vs tors. theta energy: -64.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1042.192133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.192133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.192133 (E_RNA) where: Base-Base interactions energy: -538.093 where: short stacking energy: -264.695 Base-Backbone interact. energy: -1.944 local terms energy: -502.155379 where: bonds (distance) C4'-P energy: -140.081 bonds (distance) P-C4' energy: -133.481 flat angles C4'-P-C4' energy: -145.941 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: 2.862 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: 278 Temperature: 0.900000 Total energy: -3257.000551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.000551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.000551 (E_RNA) where: Base-Base interactions energy: -2260.506 where: short stacking energy: -967.896 Base-Backbone interact. energy: -2.928 local terms energy: -993.566699 where: bonds (distance) C4'-P energy: -186.346 bonds (distance) P-C4' energy: -186.987 flat angles C4'-P-C4' energy: -205.790 flat angles P-C4'-P energy: -140.527 tors. eta vs tors. theta energy: -273.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3070.953004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.953004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.953004 (E_RNA) where: Base-Base interactions energy: -2118.747 where: short stacking energy: -900.368 Base-Backbone interact. energy: -2.576 local terms energy: -949.629660 where: bonds (distance) C4'-P energy: -174.857 bonds (distance) P-C4' energy: -174.825 flat angles C4'-P-C4' energy: -213.212 flat angles P-C4'-P energy: -135.580 tors. eta vs tors. theta energy: -251.155 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: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2959.025635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.025635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.025635 (E_RNA) where: Base-Base interactions energy: -2031.935 where: short stacking energy: -895.369 Base-Backbone interact. energy: -4.426 local terms energy: -922.665059 where: bonds (distance) C4'-P energy: -163.775 bonds (distance) P-C4' energy: -176.709 flat angles C4'-P-C4' energy: -188.307 flat angles P-C4'-P energy: -137.956 tors. eta vs tors. theta energy: -255.917 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: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2798.158804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.158804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.158804 (E_RNA) where: Base-Base interactions energy: -1884.972 where: short stacking energy: -831.545 Base-Backbone interact. energy: -7.600 local terms energy: -905.586084 where: bonds (distance) C4'-P energy: -165.379 bonds (distance) P-C4' energy: -177.311 flat angles C4'-P-C4' energy: -200.524 flat angles P-C4'-P energy: -123.062 tors. eta vs tors. theta energy: -239.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2535.862568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.862568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.862568 (E_RNA) where: Base-Base interactions energy: -1700.752 where: short stacking energy: -758.662 Base-Backbone interact. energy: -4.436 local terms energy: -830.674416 where: bonds (distance) C4'-P energy: -138.851 bonds (distance) P-C4' energy: -182.021 flat angles C4'-P-C4' energy: -195.804 flat angles P-C4'-P energy: -112.072 tors. eta vs tors. theta energy: -201.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2382.523206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.523206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.523206 (E_RNA) where: Base-Base interactions energy: -1611.811 where: short stacking energy: -712.707 Base-Backbone interact. energy: 3.411 local terms energy: -774.123362 where: bonds (distance) C4'-P energy: -148.845 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -179.113 flat angles P-C4'-P energy: -123.554 tors. eta vs tors. theta energy: -179.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1981.221657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.221657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.221657 (E_RNA) where: Base-Base interactions energy: -1268.605 where: short stacking energy: -614.655 Base-Backbone interact. energy: -3.063 local terms energy: -709.553184 where: bonds (distance) C4'-P energy: -148.313 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -154.322 flat angles P-C4'-P energy: -105.014 tors. eta vs tors. theta energy: -142.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1761.804198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.804198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.804198 (E_RNA) where: Base-Base interactions energy: -1145.382 where: short stacking energy: -504.132 Base-Backbone interact. energy: -3.027 local terms energy: -613.395493 where: bonds (distance) C4'-P energy: -141.422 bonds (distance) P-C4' energy: -143.121 flat angles C4'-P-C4' energy: -150.397 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -83.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1441.867247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.867247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.867247 (E_RNA) where: Base-Base interactions energy: -849.829 where: short stacking energy: -401.073 Base-Backbone interact. energy: -3.306 local terms energy: -588.731802 where: bonds (distance) C4'-P energy: -111.758 bonds (distance) P-C4' energy: -157.214 flat angles C4'-P-C4' energy: -154.853 flat angles P-C4'-P energy: -87.043 tors. eta vs tors. theta energy: -77.863 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: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1050.922568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.922568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.922568 (E_RNA) where: Base-Base interactions energy: -588.395 where: short stacking energy: -298.766 Base-Backbone interact. energy: -2.976 local terms energy: -459.551300 where: bonds (distance) C4'-P energy: -132.683 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -129.752 flat angles P-C4'-P energy: -65.162 tors. eta vs tors. theta energy: 12.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3234.026517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.026517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.026517 (E_RNA) where: Base-Base interactions energy: -2244.846 where: short stacking energy: -964.892 Base-Backbone interact. energy: -5.332 local terms energy: -983.848446 where: bonds (distance) C4'-P energy: -176.638 bonds (distance) P-C4' energy: -191.091 flat angles C4'-P-C4' energy: -205.521 flat angles P-C4'-P energy: -132.620 tors. eta vs tors. theta energy: -277.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -3095.132246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.132246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.132246 (E_RNA) where: Base-Base interactions energy: -2129.347 where: short stacking energy: -912.131 Base-Backbone interact. energy: -7.068 local terms energy: -958.717256 where: bonds (distance) C4'-P energy: -183.707 bonds (distance) P-C4' energy: -170.805 flat angles C4'-P-C4' energy: -202.095 flat angles P-C4'-P energy: -142.213 tors. eta vs tors. theta energy: -259.897 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: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2939.605869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.605869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.605869 (E_RNA) where: Base-Base interactions energy: -2026.179 where: short stacking energy: -885.632 Base-Backbone interact. energy: -5.121 local terms energy: -908.305782 where: bonds (distance) C4'-P energy: -148.733 bonds (distance) P-C4' energy: -180.277 flat angles C4'-P-C4' energy: -207.181 flat angles P-C4'-P energy: -127.594 tors. eta vs tors. theta energy: -244.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2857.864005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.864005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.864005 (E_RNA) where: Base-Base interactions energy: -1978.443 where: short stacking energy: -852.866 Base-Backbone interact. energy: -7.083 local terms energy: -872.338241 where: bonds (distance) C4'-P energy: -148.522 bonds (distance) P-C4' energy: -172.830 flat angles C4'-P-C4' energy: -186.137 flat angles P-C4'-P energy: -133.955 tors. eta vs tors. theta energy: -230.894 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: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2520.091692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.091692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.091692 (E_RNA) where: Base-Base interactions energy: -1702.153 where: short stacking energy: -740.014 Base-Backbone interact. energy: -3.355 local terms energy: -814.583691 where: bonds (distance) C4'-P energy: -147.603 bonds (distance) P-C4' energy: -175.573 flat angles C4'-P-C4' energy: -183.601 flat angles P-C4'-P energy: -112.428 tors. eta vs tors. theta energy: -195.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2402.020984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.020984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.020984 (E_RNA) where: Base-Base interactions energy: -1598.155 where: short stacking energy: -712.145 Base-Backbone interact. energy: -3.524 local terms energy: -800.341454 where: bonds (distance) C4'-P energy: -160.057 bonds (distance) P-C4' energy: -153.288 flat angles C4'-P-C4' energy: -190.483 flat angles P-C4'-P energy: -127.539 tors. eta vs tors. theta energy: -168.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2055.572050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.572050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.572050 (E_RNA) where: Base-Base interactions energy: -1311.296 where: short stacking energy: -619.854 Base-Backbone interact. energy: 0.173 local terms energy: -744.448585 where: bonds (distance) C4'-P energy: -153.592 bonds (distance) P-C4' energy: -163.907 flat angles C4'-P-C4' energy: -167.990 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -155.798 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: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1710.546053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.546053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.546053 (E_RNA) where: Base-Base interactions energy: -1082.388 where: short stacking energy: -495.922 Base-Backbone interact. energy: 2.241 local terms energy: -630.399553 where: bonds (distance) C4'-P energy: -163.236 bonds (distance) P-C4' energy: -155.822 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -78.416 tors. eta vs tors. theta energy: -85.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1507.654859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.654859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.654859 (E_RNA) where: Base-Base interactions energy: -929.680 where: short stacking energy: -430.068 Base-Backbone interact. energy: -3.841 local terms energy: -574.134070 where: bonds (distance) C4'-P energy: -153.018 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -145.335 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: -77.040 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: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -972.925677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.925677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.925677 (E_RNA) where: Base-Base interactions energy: -485.370 where: short stacking energy: -273.902 Base-Backbone interact. energy: 7.523 local terms energy: -495.079476 where: bonds (distance) C4'-P energy: -149.642 bonds (distance) P-C4' energy: -140.272 flat angles C4'-P-C4' energy: -130.545 flat angles P-C4'-P energy: -80.125 tors. eta vs tors. theta energy: 5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3235.367692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.367692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.367692 (E_RNA) where: Base-Base interactions energy: -2258.895 where: short stacking energy: -973.247 Base-Backbone interact. energy: -3.237 local terms energy: -973.235321 where: bonds (distance) C4'-P energy: -190.662 bonds (distance) P-C4' energy: -173.328 flat angles C4'-P-C4' energy: -211.064 flat angles P-C4'-P energy: -126.912 tors. eta vs tors. theta energy: -271.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -3106.672967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.672967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.672967 (E_RNA) where: Base-Base interactions energy: -2157.486 where: short stacking energy: -958.233 Base-Backbone interact. energy: -2.072 local terms energy: -947.114618 where: bonds (distance) C4'-P energy: -165.948 bonds (distance) P-C4' energy: -179.385 flat angles C4'-P-C4' energy: -200.016 flat angles P-C4'-P energy: -135.801 tors. eta vs tors. theta energy: -265.964 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: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2963.795425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.795425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.795425 (E_RNA) where: Base-Base interactions energy: -2016.208 where: short stacking energy: -896.839 Base-Backbone interact. energy: -2.635 local terms energy: -944.952882 where: bonds (distance) C4'-P energy: -163.056 bonds (distance) P-C4' energy: -173.770 flat angles C4'-P-C4' energy: -211.439 flat angles P-C4'-P energy: -142.560 tors. eta vs tors. theta energy: -254.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2855.057543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.057543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.057543 (E_RNA) where: Base-Base interactions energy: -1975.841 where: short stacking energy: -839.325 Base-Backbone interact. energy: -5.640 local terms energy: -873.576261 where: bonds (distance) C4'-P energy: -164.556 bonds (distance) P-C4' energy: -164.341 flat angles C4'-P-C4' energy: -197.473 flat angles P-C4'-P energy: -118.047 tors. eta vs tors. theta energy: -229.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2571.833268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.833268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.833268 (E_RNA) where: Base-Base interactions energy: -1741.998 where: short stacking energy: -775.246 Base-Backbone interact. energy: 5.282 local terms energy: -835.116838 where: bonds (distance) C4'-P energy: -155.751 bonds (distance) P-C4' energy: -177.089 flat angles C4'-P-C4' energy: -180.556 flat angles P-C4'-P energy: -118.657 tors. eta vs tors. theta energy: -203.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2356.100595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.100595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.100595 (E_RNA) where: Base-Base interactions energy: -1583.201 where: short stacking energy: -728.675 Base-Backbone interact. energy: -3.362 local terms energy: -769.537699 where: bonds (distance) C4'-P energy: -143.195 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -173.586 flat angles P-C4'-P energy: -121.078 tors. eta vs tors. theta energy: -183.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2080.763494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.763494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.763494 (E_RNA) where: Base-Base interactions energy: -1360.338 where: short stacking energy: -643.554 Base-Backbone interact. energy: -4.548 local terms energy: -715.877798 where: bonds (distance) C4'-P energy: -154.142 bonds (distance) P-C4' energy: -144.390 flat angles C4'-P-C4' energy: -167.172 flat angles P-C4'-P energy: -104.972 tors. eta vs tors. theta energy: -145.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1763.232648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.232648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.232648 (E_RNA) where: Base-Base interactions energy: -1122.966 where: short stacking energy: -493.243 Base-Backbone interact. energy: -2.438 local terms energy: -637.828957 where: bonds (distance) C4'-P energy: -144.626 bonds (distance) P-C4' energy: -148.317 flat angles C4'-P-C4' energy: -165.066 flat angles P-C4'-P energy: -91.082 tors. eta vs tors. theta energy: -88.737 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: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1518.117545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.117545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.117545 (E_RNA) where: Base-Base interactions energy: -906.153 where: short stacking energy: -427.204 Base-Backbone interact. energy: 0.316 local terms energy: -612.281042 where: bonds (distance) C4'-P energy: -135.959 bonds (distance) P-C4' energy: -153.734 flat angles C4'-P-C4' energy: -154.159 flat angles P-C4'-P energy: -80.652 tors. eta vs tors. theta energy: -87.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -990.744314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.744314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.744314 (E_RNA) where: Base-Base interactions energy: -518.654 where: short stacking energy: -285.048 Base-Backbone interact. energy: 0.815 local terms energy: -472.904528 where: bonds (distance) C4'-P energy: -156.859 bonds (distance) P-C4' energy: -136.192 flat angles C4'-P-C4' energy: -108.039 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: 5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3241.765352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.765352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.765352 (E_RNA) where: Base-Base interactions energy: -2233.198 where: short stacking energy: -941.782 Base-Backbone interact. energy: -5.971 local terms energy: -1002.595889 where: bonds (distance) C4'-P energy: -182.934 bonds (distance) P-C4' energy: -196.851 flat angles C4'-P-C4' energy: -212.300 flat angles P-C4'-P energy: -138.234 tors. eta vs tors. theta energy: -272.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -3086.380709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.380709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.380709 (E_RNA) where: Base-Base interactions energy: -2105.481 where: short stacking energy: -901.528 Base-Backbone interact. energy: -5.024 local terms energy: -975.875802 where: bonds (distance) C4'-P energy: -162.942 bonds (distance) P-C4' energy: -189.799 flat angles C4'-P-C4' energy: -207.249 flat angles P-C4'-P energy: -148.994 tors. eta vs tors. theta energy: -266.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -3028.411452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.411452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.411452 (E_RNA) where: Base-Base interactions energy: -2096.111 where: short stacking energy: -885.198 Base-Backbone interact. energy: -5.711 local terms energy: -926.589290 where: bonds (distance) C4'-P energy: -174.121 bonds (distance) P-C4' energy: -167.611 flat angles C4'-P-C4' energy: -206.476 flat angles P-C4'-P energy: -125.752 tors. eta vs tors. theta energy: -252.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2822.502875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.502875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.502875 (E_RNA) where: Base-Base interactions energy: -1949.060 where: short stacking energy: -842.039 Base-Backbone interact. energy: -2.525 local terms energy: -870.918245 where: bonds (distance) C4'-P energy: -165.415 bonds (distance) P-C4' energy: -164.674 flat angles C4'-P-C4' energy: -189.087 flat angles P-C4'-P energy: -107.251 tors. eta vs tors. theta energy: -244.491 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: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2515.843060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.843060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.843060 (E_RNA) where: Base-Base interactions energy: -1715.553 where: short stacking energy: -725.039 Base-Backbone interact. energy: 0.032 local terms energy: -800.321466 where: bonds (distance) C4'-P energy: -154.700 bonds (distance) P-C4' energy: -164.887 flat angles C4'-P-C4' energy: -191.882 flat angles P-C4'-P energy: -103.801 tors. eta vs tors. theta energy: -185.052 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: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2387.115469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.115469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.115469 (E_RNA) where: Base-Base interactions energy: -1626.435 where: short stacking energy: -712.972 Base-Backbone interact. energy: 0.359 local terms energy: -761.039094 where: bonds (distance) C4'-P energy: -158.615 bonds (distance) P-C4' energy: -151.550 flat angles C4'-P-C4' energy: -177.612 flat angles P-C4'-P energy: -109.813 tors. eta vs tors. theta energy: -163.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2091.701769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.701769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.701769 (E_RNA) where: Base-Base interactions energy: -1358.545 where: short stacking energy: -639.914 Base-Backbone interact. energy: 0.367 local terms energy: -733.523073 where: bonds (distance) C4'-P energy: -161.774 bonds (distance) P-C4' energy: -162.447 flat angles C4'-P-C4' energy: -157.982 flat angles P-C4'-P energy: -103.977 tors. eta vs tors. theta energy: -147.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1799.532645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.532645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.532645 (E_RNA) where: Base-Base interactions energy: -1135.809 where: short stacking energy: -494.030 Base-Backbone interact. energy: -4.022 local terms energy: -659.702091 where: bonds (distance) C4'-P energy: -156.902 bonds (distance) P-C4' energy: -173.661 flat angles C4'-P-C4' energy: -158.447 flat angles P-C4'-P energy: -77.327 tors. eta vs tors. theta energy: -93.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1468.010793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.010793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.010793 (E_RNA) where: Base-Base interactions energy: -893.599 where: short stacking energy: -414.494 Base-Backbone interact. energy: -3.509 local terms energy: -570.903234 where: bonds (distance) C4'-P energy: -179.533 bonds (distance) P-C4' energy: -125.713 flat angles C4'-P-C4' energy: -136.109 flat angles P-C4'-P energy: -82.374 tors. eta vs tors. theta energy: -47.173 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: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -988.005415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.005415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.005415 (E_RNA) where: Base-Base interactions energy: -493.551 where: short stacking energy: -313.654 Base-Backbone interact. energy: 0.162 local terms energy: -494.616116 where: bonds (distance) C4'-P energy: -142.018 bonds (distance) P-C4' energy: -138.654 flat angles C4'-P-C4' energy: -127.730 flat angles P-C4'-P energy: -92.487 tors. eta vs tors. theta energy: 6.273 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: 282 Temperature: 0.900000 Total energy: -3196.989300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.989300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.989300 (E_RNA) where: Base-Base interactions energy: -2196.194 where: short stacking energy: -970.304 Base-Backbone interact. energy: -6.160 local terms energy: -994.635211 where: bonds (distance) C4'-P energy: -181.989 bonds (distance) P-C4' energy: -197.080 flat angles C4'-P-C4' energy: -218.118 flat angles P-C4'-P energy: -122.628 tors. eta vs tors. theta energy: -274.820 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: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -3141.070324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.070324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.070324 (E_RNA) where: Base-Base interactions energy: -2172.264 where: short stacking energy: -928.706 Base-Backbone interact. energy: -1.248 local terms energy: -967.557858 where: bonds (distance) C4'-P energy: -162.033 bonds (distance) P-C4' energy: -179.405 flat angles C4'-P-C4' energy: -216.563 flat angles P-C4'-P energy: -134.875 tors. eta vs tors. theta energy: -274.682 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: 1 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2980.493886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.493886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.493886 (E_RNA) where: Base-Base interactions energy: -2076.117 where: short stacking energy: -864.809 Base-Backbone interact. energy: -3.954 local terms energy: -900.422731 where: bonds (distance) C4'-P energy: -154.369 bonds (distance) P-C4' energy: -166.260 flat angles C4'-P-C4' energy: -194.712 flat angles P-C4'-P energy: -130.061 tors. eta vs tors. theta energy: -255.022 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: 4, replica: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2851.123728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.123728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.123728 (E_RNA) where: Base-Base interactions energy: -1974.077 where: short stacking energy: -849.895 Base-Backbone interact. energy: 1.791 local terms energy: -878.837561 where: bonds (distance) C4'-P energy: -158.036 bonds (distance) P-C4' energy: -165.821 flat angles C4'-P-C4' energy: -200.692 flat angles P-C4'-P energy: -111.500 tors. eta vs tors. theta energy: -242.790 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: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2603.820830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.820830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.820830 (E_RNA) where: Base-Base interactions energy: -1801.647 where: short stacking energy: -763.504 Base-Backbone interact. energy: -0.443 local terms energy: -801.730423 where: bonds (distance) C4'-P energy: -144.191 bonds (distance) P-C4' energy: -162.332 flat angles C4'-P-C4' energy: -187.699 flat angles P-C4'-P energy: -121.022 tors. eta vs tors. theta energy: -186.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2378.241437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.241437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.241437 (E_RNA) where: Base-Base interactions energy: -1596.869 where: short stacking energy: -686.185 Base-Backbone interact. energy: -6.103 local terms energy: -775.269177 where: bonds (distance) C4'-P energy: -146.524 bonds (distance) P-C4' energy: -141.529 flat angles C4'-P-C4' energy: -185.155 flat angles P-C4'-P energy: -112.731 tors. eta vs tors. theta energy: -189.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2041.117034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.117034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.117034 (E_RNA) where: Base-Base interactions energy: -1342.701 where: short stacking energy: -608.160 Base-Backbone interact. energy: 0.400 local terms energy: -698.815621 where: bonds (distance) C4'-P energy: -161.545 bonds (distance) P-C4' energy: -134.636 flat angles C4'-P-C4' energy: -160.600 flat angles P-C4'-P energy: -106.914 tors. eta vs tors. theta energy: -135.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1890.255071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.255071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.255071 (E_RNA) where: Base-Base interactions energy: -1224.199 where: short stacking energy: -539.099 Base-Backbone interact. energy: 3.364 local terms energy: -669.419440 where: bonds (distance) C4'-P energy: -146.099 bonds (distance) P-C4' energy: -163.051 flat angles C4'-P-C4' energy: -166.770 flat angles P-C4'-P energy: -99.492 tors. eta vs tors. theta energy: -94.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1495.738782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.738782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.738782 (E_RNA) where: Base-Base interactions energy: -882.399 where: short stacking energy: -439.584 Base-Backbone interact. energy: 7.050 local terms energy: -620.389306 where: bonds (distance) C4'-P energy: -154.783 bonds (distance) P-C4' energy: -162.696 flat angles C4'-P-C4' energy: -147.441 flat angles P-C4'-P energy: -81.277 tors. eta vs tors. theta energy: -74.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -955.093257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.093257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.093257 (E_RNA) where: Base-Base interactions energy: -526.527 where: short stacking energy: -310.504 Base-Backbone interact. energy: -3.192 local terms energy: -425.373517 where: bonds (distance) C4'-P energy: -132.390 bonds (distance) P-C4' energy: -135.813 flat angles C4'-P-C4' energy: -113.733 flat angles P-C4'-P energy: -54.255 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: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3187.961423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.961423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.961423 (E_RNA) where: Base-Base interactions energy: -2212.373 where: short stacking energy: -953.225 Base-Backbone interact. energy: -7.657 local terms energy: -967.932085 where: bonds (distance) C4'-P energy: -182.757 bonds (distance) P-C4' energy: -178.160 flat angles C4'-P-C4' energy: -204.880 flat angles P-C4'-P energy: -133.521 tors. eta vs tors. theta energy: -268.615 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: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -3154.989445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.989445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.989445 (E_RNA) where: Base-Base interactions energy: -2166.042 where: short stacking energy: -947.869 Base-Backbone interact. energy: -5.352 local terms energy: -983.595553 where: bonds (distance) C4'-P energy: -175.924 bonds (distance) P-C4' energy: -180.947 flat angles C4'-P-C4' energy: -212.930 flat angles P-C4'-P energy: -143.348 tors. eta vs tors. theta energy: -270.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2980.320625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.320625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.320625 (E_RNA) where: Base-Base interactions energy: -2034.885 where: short stacking energy: -874.118 Base-Backbone interact. energy: 0.030 local terms energy: -945.466366 where: bonds (distance) C4'-P energy: -172.313 bonds (distance) P-C4' energy: -187.351 flat angles C4'-P-C4' energy: -192.547 flat angles P-C4'-P energy: -133.053 tors. eta vs tors. theta energy: -260.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2828.983891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.983891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.983891 (E_RNA) where: Base-Base interactions energy: -1948.671 where: short stacking energy: -869.122 Base-Backbone interact. energy: -0.231 local terms energy: -880.082063 where: bonds (distance) C4'-P energy: -170.872 bonds (distance) P-C4' energy: -167.483 flat angles C4'-P-C4' energy: -205.444 flat angles P-C4'-P energy: -99.739 tors. eta vs tors. theta energy: -236.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2538.461671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.461671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.461671 (E_RNA) where: Base-Base interactions energy: -1710.512 where: short stacking energy: -751.127 Base-Backbone interact. energy: -1.727 local terms energy: -826.223044 where: bonds (distance) C4'-P energy: -164.363 bonds (distance) P-C4' energy: -181.895 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -112.199 tors. eta vs tors. theta energy: -190.936 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: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2441.211458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.211458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.211458 (E_RNA) where: Base-Base interactions energy: -1641.444 where: short stacking energy: -735.246 Base-Backbone interact. energy: -4.539 local terms energy: -795.228432 where: bonds (distance) C4'-P energy: -154.675 bonds (distance) P-C4' energy: -168.780 flat angles C4'-P-C4' energy: -166.515 flat angles P-C4'-P energy: -98.808 tors. eta vs tors. theta energy: -206.450 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: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2028.064825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.064825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.064825 (E_RNA) where: Base-Base interactions energy: -1306.908 where: short stacking energy: -602.017 Base-Backbone interact. energy: -0.645 local terms energy: -720.511683 where: bonds (distance) C4'-P energy: -154.191 bonds (distance) P-C4' energy: -158.239 flat angles C4'-P-C4' energy: -181.049 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -128.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1939.148690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.148690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.148690 (E_RNA) where: Base-Base interactions energy: -1243.669 where: short stacking energy: -539.802 Base-Backbone interact. energy: -3.860 local terms energy: -691.619764 where: bonds (distance) C4'-P energy: -149.182 bonds (distance) P-C4' energy: -166.818 flat angles C4'-P-C4' energy: -157.206 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -126.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1432.022918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.022918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.022918 (E_RNA) where: Base-Base interactions energy: -856.457 where: short stacking energy: -405.692 Base-Backbone interact. energy: -0.338 local terms energy: -575.227284 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: -166.610 flat angles C4'-P-C4' energy: -123.079 flat angles P-C4'-P energy: -101.726 tors. eta vs tors. theta energy: -44.017 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: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -961.612514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.612514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.612514 (E_RNA) where: Base-Base interactions energy: -494.020 where: short stacking energy: -253.461 Base-Backbone interact. energy: 8.848 local terms energy: -476.441262 where: bonds (distance) C4'-P energy: -153.108 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -123.814 flat angles P-C4'-P energy: -76.092 tors. eta vs tors. theta energy: 22.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3195.705421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.705421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.705421 (E_RNA) where: Base-Base interactions energy: -2229.058 where: short stacking energy: -951.463 Base-Backbone interact. energy: -3.720 local terms energy: -962.927485 where: bonds (distance) C4'-P energy: -166.978 bonds (distance) P-C4' energy: -188.988 flat angles C4'-P-C4' energy: -210.165 flat angles P-C4'-P energy: -131.571 tors. eta vs tors. theta energy: -265.226 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: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -3133.720496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.720496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.720496 (E_RNA) where: Base-Base interactions energy: -2150.253 where: short stacking energy: -941.763 Base-Backbone interact. energy: -5.939 local terms energy: -977.528422 where: bonds (distance) C4'-P energy: -179.522 bonds (distance) P-C4' energy: -184.557 flat angles C4'-P-C4' energy: -207.479 flat angles P-C4'-P energy: -130.174 tors. eta vs tors. theta energy: -275.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2943.835268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.835268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.835268 (E_RNA) where: Base-Base interactions energy: -2042.035 where: short stacking energy: -884.634 Base-Backbone interact. energy: -3.797 local terms energy: -898.003126 where: bonds (distance) C4'-P energy: -157.092 bonds (distance) P-C4' energy: -168.553 flat angles C4'-P-C4' energy: -188.374 flat angles P-C4'-P energy: -130.743 tors. eta vs tors. theta energy: -253.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2794.004989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.004989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.004989 (E_RNA) where: Base-Base interactions energy: -1904.525 where: short stacking energy: -818.859 Base-Backbone interact. energy: -6.877 local terms energy: -882.603609 where: bonds (distance) C4'-P energy: -179.451 bonds (distance) P-C4' energy: -161.416 flat angles C4'-P-C4' energy: -204.553 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -231.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2514.040252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.040252 (E_RNA) where: Base-Base interactions energy: -1707.387 where: short stacking energy: -764.107 Base-Backbone interact. energy: -1.876 local terms energy: -804.777061 where: bonds (distance) C4'-P energy: -166.358 bonds (distance) P-C4' energy: -173.516 flat angles C4'-P-C4' energy: -166.350 flat angles P-C4'-P energy: -121.257 tors. eta vs tors. theta energy: -177.296 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: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2367.849224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.849224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.849224 (E_RNA) where: Base-Base interactions energy: -1569.101 where: short stacking energy: -699.524 Base-Backbone interact. energy: -3.459 local terms energy: -795.289988 where: bonds (distance) C4'-P energy: -158.382 bonds (distance) P-C4' energy: -142.308 flat angles C4'-P-C4' energy: -184.819 flat angles P-C4'-P energy: -115.000 tors. eta vs tors. theta energy: -194.780 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: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2002.355981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.355981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.355981 (E_RNA) where: Base-Base interactions energy: -1326.451 where: short stacking energy: -635.446 Base-Backbone interact. energy: -2.526 local terms energy: -673.378851 where: bonds (distance) C4'-P energy: -128.185 bonds (distance) P-C4' energy: -164.170 flat angles C4'-P-C4' energy: -158.877 flat angles P-C4'-P energy: -88.338 tors. eta vs tors. theta energy: -133.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1950.917180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.917180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.917180 (E_RNA) where: Base-Base interactions energy: -1306.644 where: short stacking energy: -567.972 Base-Backbone interact. energy: 2.023 local terms energy: -646.296270 where: bonds (distance) C4'-P energy: -162.235 bonds (distance) P-C4' energy: -131.291 flat angles C4'-P-C4' energy: -153.521 flat angles P-C4'-P energy: -90.826 tors. eta vs tors. theta energy: -108.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1415.024166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.024166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.024166 (E_RNA) where: Base-Base interactions energy: -827.735 where: short stacking energy: -389.576 Base-Backbone interact. energy: -1.825 local terms energy: -585.464163 where: bonds (distance) C4'-P energy: -150.006 bonds (distance) P-C4' energy: -168.701 flat angles C4'-P-C4' energy: -141.546 flat angles P-C4'-P energy: -75.655 tors. eta vs tors. theta energy: -49.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -967.027803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.027803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.027803 (E_RNA) where: Base-Base interactions energy: -474.069 where: short stacking energy: -262.135 Base-Backbone interact. energy: 1.964 local terms energy: -494.923620 where: bonds (distance) C4'-P energy: -158.450 bonds (distance) P-C4' energy: -127.378 flat angles C4'-P-C4' energy: -136.407 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: 19.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3225.156448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.156448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.156448 (E_RNA) where: Base-Base interactions energy: -2235.494 where: short stacking energy: -951.718 Base-Backbone interact. energy: -5.356 local terms energy: -984.306443 where: bonds (distance) C4'-P energy: -176.037 bonds (distance) P-C4' energy: -180.813 flat angles C4'-P-C4' energy: -210.369 flat angles P-C4'-P energy: -135.152 tors. eta vs tors. theta energy: -281.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -3115.414222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.414222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.414222 (E_RNA) where: Base-Base interactions energy: -2177.771 where: short stacking energy: -955.029 Base-Backbone interact. energy: -0.555 local terms energy: -937.087355 where: bonds (distance) C4'-P energy: -173.899 bonds (distance) P-C4' energy: -180.953 flat angles C4'-P-C4' energy: -195.813 flat angles P-C4'-P energy: -116.713 tors. eta vs tors. theta energy: -269.709 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: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2940.889857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.889857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.889857 (E_RNA) where: Base-Base interactions energy: -2019.769 where: short stacking energy: -863.707 Base-Backbone interact. energy: -3.385 local terms energy: -917.735612 where: bonds (distance) C4'-P energy: -168.574 bonds (distance) P-C4' energy: -175.524 flat angles C4'-P-C4' energy: -203.191 flat angles P-C4'-P energy: -123.501 tors. eta vs tors. theta energy: -246.947 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: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2808.140567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.140567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.140567 (E_RNA) where: Base-Base interactions energy: -1925.962 where: short stacking energy: -832.461 Base-Backbone interact. energy: -1.607 local terms energy: -880.572220 where: bonds (distance) C4'-P energy: -163.393 bonds (distance) P-C4' energy: -172.270 flat angles C4'-P-C4' energy: -196.931 flat angles P-C4'-P energy: -122.144 tors. eta vs tors. theta energy: -225.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2468.893808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.893808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.893808 (E_RNA) where: Base-Base interactions energy: -1629.793 where: short stacking energy: -709.473 Base-Backbone interact. energy: -0.008 local terms energy: -839.092926 where: bonds (distance) C4'-P energy: -167.586 bonds (distance) P-C4' energy: -178.725 flat angles C4'-P-C4' energy: -182.916 flat angles P-C4'-P energy: -120.893 tors. eta vs tors. theta energy: -188.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2369.478170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.478170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.478170 (E_RNA) where: Base-Base interactions energy: -1631.768 where: short stacking energy: -719.718 Base-Backbone interact. energy: -1.411 local terms energy: -736.298665 where: bonds (distance) C4'-P energy: -147.845 bonds (distance) P-C4' energy: -151.546 flat angles C4'-P-C4' energy: -170.522 flat angles P-C4'-P energy: -92.337 tors. eta vs tors. theta energy: -174.048 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: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2063.121732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.121732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.121732 (E_RNA) where: Base-Base interactions energy: -1314.435 where: short stacking energy: -601.608 Base-Backbone interact. energy: -2.785 local terms energy: -745.901884 where: bonds (distance) C4'-P energy: -145.133 bonds (distance) P-C4' energy: -176.367 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -127.592 tors. eta vs tors. theta energy: -145.013 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: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1966.318974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.318974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.318974 (E_RNA) where: Base-Base interactions energy: -1294.936 where: short stacking energy: -557.851 Base-Backbone interact. energy: -2.545 local terms energy: -668.838259 where: bonds (distance) C4'-P energy: -137.642 bonds (distance) P-C4' energy: -155.519 flat angles C4'-P-C4' energy: -146.098 flat angles P-C4'-P energy: -93.453 tors. eta vs tors. theta energy: -136.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1406.869489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.869489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.869489 (E_RNA) where: Base-Base interactions energy: -840.492 where: short stacking energy: -403.689 Base-Backbone interact. energy: -4.099 local terms energy: -562.279295 where: bonds (distance) C4'-P energy: -137.660 bonds (distance) P-C4' energy: -155.088 flat angles C4'-P-C4' energy: -145.492 flat angles P-C4'-P energy: -80.822 tors. eta vs tors. theta energy: -43.218 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: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -950.520458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.520458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.520458 (E_RNA) where: Base-Base interactions energy: -521.135 where: short stacking energy: -248.672 Base-Backbone interact. energy: 1.923 local terms energy: -431.308241 where: bonds (distance) C4'-P energy: -131.979 bonds (distance) P-C4' energy: -152.159 flat angles C4'-P-C4' energy: -100.351 flat angles P-C4'-P energy: -72.820 tors. eta vs tors. theta energy: 26.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3201.343660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.343660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.343660 (E_RNA) where: Base-Base interactions energy: -2250.089 where: short stacking energy: -938.202 Base-Backbone interact. energy: 0.322 local terms energy: -951.576673 where: bonds (distance) C4'-P energy: -193.429 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -202.233 flat angles P-C4'-P energy: -136.555 tors. eta vs tors. theta energy: -254.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -3155.206705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.206705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.206705 (E_RNA) where: Base-Base interactions energy: -2185.386 where: short stacking energy: -932.043 Base-Backbone interact. energy: 0.780 local terms energy: -970.600391 where: bonds (distance) C4'-P energy: -158.625 bonds (distance) P-C4' energy: -201.672 flat angles C4'-P-C4' energy: -208.351 flat angles P-C4'-P energy: -136.127 tors. eta vs tors. theta energy: -265.826 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: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2965.969865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.969865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.969865 (E_RNA) where: Base-Base interactions energy: -2046.126 where: short stacking energy: -875.174 Base-Backbone interact. energy: -3.398 local terms energy: -916.445168 where: bonds (distance) C4'-P energy: -175.254 bonds (distance) P-C4' energy: -158.133 flat angles C4'-P-C4' energy: -204.001 flat angles P-C4'-P energy: -132.630 tors. eta vs tors. theta energy: -246.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2798.912705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.912705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.912705 (E_RNA) where: Base-Base interactions energy: -1904.663 where: short stacking energy: -831.993 Base-Backbone interact. energy: -0.328 local terms energy: -893.921459 where: bonds (distance) C4'-P energy: -166.018 bonds (distance) P-C4' energy: -187.391 flat angles C4'-P-C4' energy: -194.081 flat angles P-C4'-P energy: -120.913 tors. eta vs tors. theta energy: -225.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2471.498008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.498008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.498008 (E_RNA) where: Base-Base interactions energy: -1668.936 where: short stacking energy: -714.284 Base-Backbone interact. energy: 9.525 local terms energy: -812.087023 where: bonds (distance) C4'-P energy: -165.544 bonds (distance) P-C4' energy: -160.098 flat angles C4'-P-C4' energy: -183.345 flat angles P-C4'-P energy: -125.406 tors. eta vs tors. theta energy: -177.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2420.164041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.164041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.164041 (E_RNA) where: Base-Base interactions energy: -1609.799 where: short stacking energy: -713.278 Base-Backbone interact. energy: -1.622 local terms energy: -808.743422 where: bonds (distance) C4'-P energy: -163.595 bonds (distance) P-C4' energy: -155.048 flat angles C4'-P-C4' energy: -182.975 flat angles P-C4'-P energy: -105.523 tors. eta vs tors. theta energy: -201.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2100.837596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.837596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.837596 (E_RNA) where: Base-Base interactions energy: -1397.432 where: short stacking energy: -621.903 Base-Backbone interact. energy: -1.564 local terms energy: -701.841836 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -164.493 flat angles C4'-P-C4' energy: -160.913 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -144.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1878.261611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.261611 (E_RNA) where: Base-Base interactions energy: -1273.914 where: short stacking energy: -574.705 Base-Backbone interact. energy: -3.055 local terms energy: -601.293134 where: bonds (distance) C4'-P energy: -130.304 bonds (distance) P-C4' energy: -142.598 flat angles C4'-P-C4' energy: -149.951 flat angles P-C4'-P energy: -66.330 tors. eta vs tors. theta energy: -112.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1434.915633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.915633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.915633 (E_RNA) where: Base-Base interactions energy: -862.104 where: short stacking energy: -420.100 Base-Backbone interact. energy: 4.753 local terms energy: -577.564846 where: bonds (distance) C4'-P energy: -121.404 bonds (distance) P-C4' energy: -179.504 flat angles C4'-P-C4' energy: -139.437 flat angles P-C4'-P energy: -78.976 tors. eta vs tors. theta energy: -58.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -965.882656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.882656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.882656 (E_RNA) where: Base-Base interactions energy: -502.453 where: short stacking energy: -275.853 Base-Backbone interact. energy: -1.052 local terms energy: -462.378162 where: bonds (distance) C4'-P energy: -115.269 bonds (distance) P-C4' energy: -142.803 flat angles C4'-P-C4' energy: -135.933 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3171.143899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.143899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.143899 (E_RNA) where: Base-Base interactions energy: -2196.670 where: short stacking energy: -915.289 Base-Backbone interact. energy: -4.227 local terms energy: -970.246380 where: bonds (distance) C4'-P energy: -177.559 bonds (distance) P-C4' energy: -190.457 flat angles C4'-P-C4' energy: -200.798 flat angles P-C4'-P energy: -136.739 tors. eta vs tors. theta energy: -264.695 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: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -3115.367151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.367151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.367151 (E_RNA) where: Base-Base interactions energy: -2159.844 where: short stacking energy: -905.929 Base-Backbone interact. energy: -3.022 local terms energy: -952.501386 where: bonds (distance) C4'-P energy: -180.044 bonds (distance) P-C4' energy: -168.002 flat angles C4'-P-C4' energy: -206.984 flat angles P-C4'-P energy: -148.470 tors. eta vs tors. theta energy: -249.001 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: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -3011.896085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.896085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.896085 (E_RNA) where: Base-Base interactions energy: -2080.788 where: short stacking energy: -880.287 Base-Backbone interact. energy: -3.592 local terms energy: -927.515757 where: bonds (distance) C4'-P energy: -177.906 bonds (distance) P-C4' energy: -169.848 flat angles C4'-P-C4' energy: -191.997 flat angles P-C4'-P energy: -136.738 tors. eta vs tors. theta energy: -251.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2770.765081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.765081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.765081 (E_RNA) where: Base-Base interactions energy: -1874.436 where: short stacking energy: -819.903 Base-Backbone interact. energy: -7.665 local terms energy: -888.664526 where: bonds (distance) C4'-P energy: -169.687 bonds (distance) P-C4' energy: -162.912 flat angles C4'-P-C4' energy: -193.098 flat angles P-C4'-P energy: -135.453 tors. eta vs tors. theta energy: -227.515 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: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2538.616469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.616469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.616469 (E_RNA) where: Base-Base interactions energy: -1696.543 where: short stacking energy: -727.089 Base-Backbone interact. energy: -3.167 local terms energy: -838.905678 where: bonds (distance) C4'-P energy: -169.686 bonds (distance) P-C4' energy: -185.610 flat angles C4'-P-C4' energy: -182.940 flat angles P-C4'-P energy: -120.563 tors. eta vs tors. theta energy: -180.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2421.680040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.680040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.680040 (E_RNA) where: Base-Base interactions energy: -1604.804 where: short stacking energy: -730.844 Base-Backbone interact. energy: -5.956 local terms energy: -810.920810 where: bonds (distance) C4'-P energy: -151.760 bonds (distance) P-C4' energy: -160.338 flat angles C4'-P-C4' energy: -184.391 flat angles P-C4'-P energy: -117.986 tors. eta vs tors. theta energy: -196.447 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: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2201.752876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.752876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.752876 (E_RNA) where: Base-Base interactions energy: -1479.037 where: short stacking energy: -632.472 Base-Backbone interact. energy: -2.640 local terms energy: -720.076761 where: bonds (distance) C4'-P energy: -144.089 bonds (distance) P-C4' energy: -152.693 flat angles C4'-P-C4' energy: -153.541 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -146.242 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: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1883.475886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.475886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.475886 (E_RNA) where: Base-Base interactions energy: -1196.107 where: short stacking energy: -528.701 Base-Backbone interact. energy: -1.381 local terms energy: -685.987229 where: bonds (distance) C4'-P energy: -139.530 bonds (distance) P-C4' energy: -170.603 flat angles C4'-P-C4' energy: -173.547 flat angles P-C4'-P energy: -95.044 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: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1367.395878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.395878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.395878 (E_RNA) where: Base-Base interactions energy: -845.554 where: short stacking energy: -421.752 Base-Backbone interact. energy: 2.234 local terms energy: -524.075852 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -144.200 flat angles C4'-P-C4' energy: -136.923 flat angles P-C4'-P energy: -80.218 tors. eta vs tors. theta energy: -49.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -987.312798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.312798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.312798 (E_RNA) where: Base-Base interactions energy: -468.962 where: short stacking energy: -278.687 Base-Backbone interact. energy: -3.236 local terms energy: -515.114240 where: bonds (distance) C4'-P energy: -162.801 bonds (distance) P-C4' energy: -153.089 flat angles C4'-P-C4' energy: -138.991 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: 9.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3190.350668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.350668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.350668 (E_RNA) where: Base-Base interactions energy: -2199.690 where: short stacking energy: -928.803 Base-Backbone interact. energy: -2.259 local terms energy: -988.401039 where: bonds (distance) C4'-P energy: -191.137 bonds (distance) P-C4' energy: -182.353 flat angles C4'-P-C4' energy: -207.976 flat angles P-C4'-P energy: -133.355 tors. eta vs tors. theta energy: -273.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -3119.951236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.951236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.951236 (E_RNA) where: Base-Base interactions energy: -2189.911 where: short stacking energy: -943.898 Base-Backbone interact. energy: 6.039 local terms energy: -936.079349 where: bonds (distance) C4'-P energy: -143.653 bonds (distance) P-C4' energy: -182.165 flat angles C4'-P-C4' energy: -206.312 flat angles P-C4'-P energy: -135.973 tors. eta vs tors. theta energy: -267.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2992.114313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.114313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.114313 (E_RNA) where: Base-Base interactions energy: -2059.971 where: short stacking energy: -880.906 Base-Backbone interact. energy: 0.073 local terms energy: -932.215774 where: bonds (distance) C4'-P energy: -164.954 bonds (distance) P-C4' energy: -169.315 flat angles C4'-P-C4' energy: -199.114 flat angles P-C4'-P energy: -147.250 tors. eta vs tors. theta energy: -251.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2754.289206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.289206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.289206 (E_RNA) where: Base-Base interactions energy: -1899.454 where: short stacking energy: -830.838 Base-Backbone interact. energy: -1.575 local terms energy: -853.259907 where: bonds (distance) C4'-P energy: -156.185 bonds (distance) P-C4' energy: -157.865 flat angles C4'-P-C4' energy: -196.517 flat angles P-C4'-P energy: -121.190 tors. eta vs tors. theta energy: -221.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2513.978950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.978950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.978950 (E_RNA) where: Base-Base interactions energy: -1701.766 where: short stacking energy: -746.729 Base-Backbone interact. energy: -2.775 local terms energy: -809.438242 where: bonds (distance) C4'-P energy: -159.782 bonds (distance) P-C4' energy: -159.037 flat angles C4'-P-C4' energy: -178.063 flat angles P-C4'-P energy: -110.528 tors. eta vs tors. theta energy: -202.029 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: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2391.694811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.694811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.694811 (E_RNA) where: Base-Base interactions energy: -1606.864 where: short stacking energy: -706.030 Base-Backbone interact. energy: 0.392 local terms energy: -785.223239 where: bonds (distance) C4'-P energy: -146.044 bonds (distance) P-C4' energy: -165.233 flat angles C4'-P-C4' energy: -175.400 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -193.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2172.869511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.869511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.869511 (E_RNA) where: Base-Base interactions energy: -1465.062 where: short stacking energy: -635.773 Base-Backbone interact. energy: -1.072 local terms energy: -706.736091 where: bonds (distance) C4'-P energy: -145.648 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -153.325 flat angles P-C4'-P energy: -111.262 tors. eta vs tors. theta energy: -140.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1782.828284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.828284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.828284 (E_RNA) where: Base-Base interactions energy: -1157.330 where: short stacking energy: -546.097 Base-Backbone interact. energy: 0.242 local terms energy: -625.739320 where: bonds (distance) C4'-P energy: -138.809 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -145.822 flat angles P-C4'-P energy: -102.067 tors. eta vs tors. theta energy: -99.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1437.129933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.129933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.129933 (E_RNA) where: Base-Base interactions energy: -859.665 where: short stacking energy: -416.825 Base-Backbone interact. energy: 0.316 local terms energy: -577.780336 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -155.807 flat angles C4'-P-C4' energy: -120.856 flat angles P-C4'-P energy: -77.978 tors. eta vs tors. theta energy: -67.518 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: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -985.673384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.673384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.673384 (E_RNA) where: Base-Base interactions energy: -511.564 where: short stacking energy: -284.010 Base-Backbone interact. energy: 6.801 local terms energy: -480.909683 where: bonds (distance) C4'-P energy: -141.353 bonds (distance) P-C4' energy: -163.562 flat angles C4'-P-C4' energy: -142.497 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: 21.844 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: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3197.882543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.882543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.882543 (E_RNA) where: Base-Base interactions energy: -2201.043 where: short stacking energy: -975.752 Base-Backbone interact. energy: -5.268 local terms energy: -991.572196 where: bonds (distance) C4'-P energy: -170.271 bonds (distance) P-C4' energy: -184.028 flat angles C4'-P-C4' energy: -205.308 flat angles P-C4'-P energy: -152.569 tors. eta vs tors. theta energy: -279.396 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: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -3129.690083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.690083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.690083 (E_RNA) where: Base-Base interactions energy: -2187.813 where: short stacking energy: -937.151 Base-Backbone interact. energy: -2.289 local terms energy: -939.587761 where: bonds (distance) C4'-P energy: -158.986 bonds (distance) P-C4' energy: -183.021 flat angles C4'-P-C4' energy: -205.882 flat angles P-C4'-P energy: -137.112 tors. eta vs tors. theta energy: -254.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2996.782567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.782567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.782567 (E_RNA) where: Base-Base interactions energy: -2036.853 where: short stacking energy: -878.713 Base-Backbone interact. energy: -4.754 local terms energy: -955.176063 where: bonds (distance) C4'-P energy: -180.169 bonds (distance) P-C4' energy: -194.639 flat angles C4'-P-C4' energy: -201.882 flat angles P-C4'-P energy: -121.350 tors. eta vs tors. theta energy: -257.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2830.690578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.690578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.690578 (E_RNA) where: Base-Base interactions energy: -1918.304 where: short stacking energy: -843.853 Base-Backbone interact. energy: -2.222 local terms energy: -910.164874 where: bonds (distance) C4'-P energy: -167.133 bonds (distance) P-C4' energy: -183.614 flat angles C4'-P-C4' energy: -189.223 flat angles P-C4'-P energy: -126.116 tors. eta vs tors. theta energy: -244.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2479.609809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.609809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.609809 (E_RNA) where: Base-Base interactions energy: -1694.846 where: short stacking energy: -749.295 Base-Backbone interact. energy: 2.123 local terms energy: -786.886815 where: bonds (distance) C4'-P energy: -158.329 bonds (distance) P-C4' energy: -150.331 flat angles C4'-P-C4' energy: -176.970 flat angles P-C4'-P energy: -112.372 tors. eta vs tors. theta energy: -188.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2327.745489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.745489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.745489 (E_RNA) where: Base-Base interactions energy: -1590.099 where: short stacking energy: -707.903 Base-Backbone interact. energy: -4.039 local terms energy: -733.607086 where: bonds (distance) C4'-P energy: -128.679 bonds (distance) P-C4' energy: -159.813 flat angles C4'-P-C4' energy: -175.424 flat angles P-C4'-P energy: -92.704 tors. eta vs tors. theta energy: -176.986 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: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2195.321343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.321343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.321343 (E_RNA) where: Base-Base interactions energy: -1426.897 where: short stacking energy: -632.310 Base-Backbone interact. energy: 2.548 local terms energy: -770.972468 where: bonds (distance) C4'-P energy: -165.476 bonds (distance) P-C4' energy: -155.864 flat angles C4'-P-C4' energy: -170.844 flat angles P-C4'-P energy: -106.928 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: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1826.635976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.635976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.635976 (E_RNA) where: Base-Base interactions energy: -1188.985 where: short stacking energy: -568.201 Base-Backbone interact. energy: -2.555 local terms energy: -635.096173 where: bonds (distance) C4'-P energy: -152.118 bonds (distance) P-C4' energy: -162.198 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -89.400 tors. eta vs tors. theta energy: -97.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1383.392090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.392090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.392090 (E_RNA) where: Base-Base interactions energy: -833.400 where: short stacking energy: -399.274 Base-Backbone interact. energy: -3.176 local terms energy: -546.816446 where: bonds (distance) C4'-P energy: -135.763 bonds (distance) P-C4' energy: -168.615 flat angles C4'-P-C4' energy: -125.880 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -35.208 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: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1039.325714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.325714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.325714 (E_RNA) where: Base-Base interactions energy: -573.009 where: short stacking energy: -328.708 Base-Backbone interact. energy: -1.990 local terms energy: -464.326546 where: bonds (distance) C4'-P energy: -121.470 bonds (distance) P-C4' energy: -147.838 flat angles C4'-P-C4' energy: -120.070 flat angles P-C4'-P energy: -66.703 tors. eta vs tors. theta energy: -8.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3208.616532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.616532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.616532 (E_RNA) where: Base-Base interactions energy: -2239.260 where: short stacking energy: -980.163 Base-Backbone interact. energy: -7.687 local terms energy: -961.669486 where: bonds (distance) C4'-P energy: -158.178 bonds (distance) P-C4' energy: -179.954 flat angles C4'-P-C4' energy: -209.647 flat angles P-C4'-P energy: -143.386 tors. eta vs tors. theta energy: -270.506 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: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -3103.737302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.737302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.737302 (E_RNA) where: Base-Base interactions energy: -2140.735 where: short stacking energy: -916.582 Base-Backbone interact. energy: -3.831 local terms energy: -959.172145 where: bonds (distance) C4'-P energy: -192.147 bonds (distance) P-C4' energy: -158.230 flat angles C4'-P-C4' energy: -208.233 flat angles P-C4'-P energy: -134.985 tors. eta vs tors. theta energy: -265.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2975.886389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.886389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.886389 (E_RNA) where: Base-Base interactions energy: -2054.659 where: short stacking energy: -887.212 Base-Backbone interact. energy: -6.645 local terms energy: -914.582670 where: bonds (distance) C4'-P energy: -177.375 bonds (distance) P-C4' energy: -160.823 flat angles C4'-P-C4' energy: -189.646 flat angles P-C4'-P energy: -128.065 tors. eta vs tors. theta energy: -258.675 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: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2798.620884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.620884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.620884 (E_RNA) where: Base-Base interactions energy: -1899.353 where: short stacking energy: -834.033 Base-Backbone interact. energy: -5.607 local terms energy: -893.661186 where: bonds (distance) C4'-P energy: -174.830 bonds (distance) P-C4' energy: -169.473 flat angles C4'-P-C4' energy: -196.357 flat angles P-C4'-P energy: -132.433 tors. eta vs tors. theta energy: -220.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2479.467272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.467272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.467272 (E_RNA) where: Base-Base interactions energy: -1674.094 where: short stacking energy: -727.023 Base-Backbone interact. energy: -6.158 local terms energy: -799.215235 where: bonds (distance) C4'-P energy: -150.108 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -185.867 flat angles P-C4'-P energy: -113.656 tors. eta vs tors. theta energy: -180.934 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: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2372.688669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.688669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.688669 (E_RNA) where: Base-Base interactions energy: -1566.971 where: short stacking energy: -691.713 Base-Backbone interact. energy: -6.860 local terms energy: -798.857056 where: bonds (distance) C4'-P energy: -153.552 bonds (distance) P-C4' energy: -163.106 flat angles C4'-P-C4' energy: -188.260 flat angles P-C4'-P energy: -105.652 tors. eta vs tors. theta energy: -188.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2163.364718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.364718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.364718 (E_RNA) where: Base-Base interactions energy: -1445.043 where: short stacking energy: -595.380 Base-Backbone interact. energy: -4.312 local terms energy: -714.009733 where: bonds (distance) C4'-P energy: -165.404 bonds (distance) P-C4' energy: -139.227 flat angles C4'-P-C4' energy: -169.068 flat angles P-C4'-P energy: -96.341 tors. eta vs tors. theta energy: -143.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1770.421905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.421905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.421905 (E_RNA) where: Base-Base interactions energy: -1129.413 where: short stacking energy: -491.167 Base-Backbone interact. energy: -0.262 local terms energy: -640.747239 where: bonds (distance) C4'-P energy: -131.977 bonds (distance) P-C4' energy: -163.657 flat angles C4'-P-C4' energy: -165.995 flat angles P-C4'-P energy: -87.611 tors. eta vs tors. theta energy: -91.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1394.401958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.401958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.401958 (E_RNA) where: Base-Base interactions energy: -817.578 where: short stacking energy: -419.353 Base-Backbone interact. energy: 1.883 local terms energy: -578.706954 where: bonds (distance) C4'-P energy: -131.099 bonds (distance) P-C4' energy: -164.654 flat angles C4'-P-C4' energy: -152.692 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: -52.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -947.900223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.900223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.900223 (E_RNA) where: Base-Base interactions energy: -457.921 where: short stacking energy: -252.581 Base-Backbone interact. energy: 1.597 local terms energy: -491.575456 where: bonds (distance) C4'-P energy: -142.805 bonds (distance) P-C4' energy: -170.912 flat angles C4'-P-C4' energy: -138.380 flat angles P-C4'-P energy: -59.519 tors. eta vs tors. theta energy: 20.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3194.857608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.857608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.857608 (E_RNA) where: Base-Base interactions energy: -2201.563 where: short stacking energy: -937.037 Base-Backbone interact. energy: -6.127 local terms energy: -987.167621 where: bonds (distance) C4'-P energy: -201.023 bonds (distance) P-C4' energy: -174.520 flat angles C4'-P-C4' energy: -204.382 flat angles P-C4'-P energy: -131.169 tors. eta vs tors. theta energy: -276.073 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: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -3012.149862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.149862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.149862 (E_RNA) where: Base-Base interactions energy: -2072.043 where: short stacking energy: -887.810 Base-Backbone interact. energy: -3.575 local terms energy: -936.531338 where: bonds (distance) C4'-P energy: -164.119 bonds (distance) P-C4' energy: -177.582 flat angles C4'-P-C4' energy: -204.616 flat angles P-C4'-P energy: -129.681 tors. eta vs tors. theta energy: -260.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2989.504459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.504459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.504459 (E_RNA) where: Base-Base interactions energy: -2072.943 where: short stacking energy: -866.520 Base-Backbone interact. energy: -1.121 local terms energy: -915.440619 where: bonds (distance) C4'-P energy: -166.985 bonds (distance) P-C4' energy: -185.862 flat angles C4'-P-C4' energy: -185.910 flat angles P-C4'-P energy: -127.854 tors. eta vs tors. theta energy: -248.831 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: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2756.996448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.996448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.996448 (E_RNA) where: Base-Base interactions energy: -1856.347 where: short stacking energy: -824.723 Base-Backbone interact. energy: -4.475 local terms energy: -896.174413 where: bonds (distance) C4'-P energy: -180.313 bonds (distance) P-C4' energy: -165.455 flat angles C4'-P-C4' energy: -195.310 flat angles P-C4'-P energy: -121.673 tors. eta vs tors. theta energy: -233.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2492.941505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.941505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.941505 (E_RNA) where: Base-Base interactions energy: -1638.606 where: short stacking energy: -740.211 Base-Backbone interact. energy: -4.205 local terms energy: -850.130774 where: bonds (distance) C4'-P energy: -166.341 bonds (distance) P-C4' energy: -158.028 flat angles C4'-P-C4' energy: -190.959 flat angles P-C4'-P energy: -152.475 tors. eta vs tors. theta energy: -182.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2324.226170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.226170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.226170 (E_RNA) where: Base-Base interactions energy: -1556.093 where: short stacking energy: -701.844 Base-Backbone interact. energy: -0.282 local terms energy: -767.851248 where: bonds (distance) C4'-P energy: -141.176 bonds (distance) P-C4' energy: -157.960 flat angles C4'-P-C4' energy: -183.559 flat angles P-C4'-P energy: -103.306 tors. eta vs tors. theta energy: -181.850 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: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2094.079698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.079698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.079698 (E_RNA) where: Base-Base interactions energy: -1400.454 where: short stacking energy: -609.940 Base-Backbone interact. energy: -0.174 local terms energy: -693.451370 where: bonds (distance) C4'-P energy: -145.262 bonds (distance) P-C4' energy: -151.504 flat angles C4'-P-C4' energy: -183.005 flat angles P-C4'-P energy: -105.051 tors. eta vs tors. theta energy: -108.629 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: 291 Temperature: 1.250000 Total energy: -1680.239483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.239483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.239483 (E_RNA) where: Base-Base interactions energy: -1062.211 where: short stacking energy: -499.510 Base-Backbone interact. energy: 1.142 local terms energy: -619.170248 where: bonds (distance) C4'-P energy: -133.947 bonds (distance) P-C4' energy: -142.096 flat angles C4'-P-C4' energy: -146.170 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -108.182 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: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1376.769555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.769555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.769555 (E_RNA) where: Base-Base interactions energy: -785.640 where: short stacking energy: -391.727 Base-Backbone interact. energy: -3.537 local terms energy: -587.592893 where: bonds (distance) C4'-P energy: -154.750 bonds (distance) P-C4' energy: -142.025 flat angles C4'-P-C4' energy: -137.733 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -50.600 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: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1042.674748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.674748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.674748 (E_RNA) where: Base-Base interactions energy: -538.010 where: short stacking energy: -292.271 Base-Backbone interact. energy: 0.207 local terms energy: -504.872391 where: bonds (distance) C4'-P energy: -142.104 bonds (distance) P-C4' energy: -151.486 flat angles C4'-P-C4' energy: -130.193 flat angles P-C4'-P energy: -70.364 tors. eta vs tors. theta energy: -10.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3215.279365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.279365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.279365 (E_RNA) where: Base-Base interactions energy: -2220.104 where: short stacking energy: -998.907 Base-Backbone interact. energy: -3.126 local terms energy: -992.049704 where: bonds (distance) C4'-P energy: -191.869 bonds (distance) P-C4' energy: -163.738 flat angles C4'-P-C4' energy: -214.800 flat angles P-C4'-P energy: -142.294 tors. eta vs tors. theta energy: -279.349 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: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -3035.877332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.877332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.877332 (E_RNA) where: Base-Base interactions energy: -2094.808 where: short stacking energy: -907.152 Base-Backbone interact. energy: -0.622 local terms energy: -940.447185 where: bonds (distance) C4'-P energy: -162.495 bonds (distance) P-C4' energy: -194.540 flat angles C4'-P-C4' energy: -193.772 flat angles P-C4'-P energy: -121.099 tors. eta vs tors. theta energy: -268.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -3061.123631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.123631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.123631 (E_RNA) where: Base-Base interactions energy: -2115.241 where: short stacking energy: -910.268 Base-Backbone interact. energy: 3.627 local terms energy: -949.509472 where: bonds (distance) C4'-P energy: -174.143 bonds (distance) P-C4' energy: -165.557 flat angles C4'-P-C4' energy: -208.903 flat angles P-C4'-P energy: -141.056 tors. eta vs tors. theta energy: -259.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2727.174878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.174878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.174878 (E_RNA) where: Base-Base interactions energy: -1865.001 where: short stacking energy: -833.408 Base-Backbone interact. energy: 0.344 local terms energy: -862.517227 where: bonds (distance) C4'-P energy: -156.936 bonds (distance) P-C4' energy: -161.988 flat angles C4'-P-C4' energy: -190.332 flat angles P-C4'-P energy: -133.255 tors. eta vs tors. theta energy: -220.006 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: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2515.083350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.083350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.083350 (E_RNA) where: Base-Base interactions energy: -1695.019 where: short stacking energy: -750.517 Base-Backbone interact. energy: 0.450 local terms energy: -820.514413 where: bonds (distance) C4'-P energy: -177.226 bonds (distance) P-C4' energy: -141.653 flat angles C4'-P-C4' energy: -190.391 flat angles P-C4'-P energy: -123.860 tors. eta vs tors. theta energy: -187.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2328.110527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.110527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.110527 (E_RNA) where: Base-Base interactions energy: -1582.815 where: short stacking energy: -694.957 Base-Backbone interact. energy: -0.891 local terms energy: -744.404019 where: bonds (distance) C4'-P energy: -139.057 bonds (distance) P-C4' energy: -137.259 flat angles C4'-P-C4' energy: -182.247 flat angles P-C4'-P energy: -108.144 tors. eta vs tors. theta energy: -177.698 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: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2088.952175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.952175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.952175 (E_RNA) where: Base-Base interactions energy: -1389.522 where: short stacking energy: -595.943 Base-Backbone interact. energy: -1.958 local terms energy: -697.472144 where: bonds (distance) C4'-P energy: -152.304 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -149.323 flat angles P-C4'-P energy: -111.449 tors. eta vs tors. theta energy: -127.696 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: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1677.067210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.067210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.067210 (E_RNA) where: Base-Base interactions energy: -1031.948 where: short stacking energy: -466.931 Base-Backbone interact. energy: -1.579 local terms energy: -643.539702 where: bonds (distance) C4'-P energy: -157.879 bonds (distance) P-C4' energy: -140.819 flat angles C4'-P-C4' energy: -157.062 flat angles P-C4'-P energy: -101.913 tors. eta vs tors. theta energy: -85.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1367.363810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.363810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.363810 (E_RNA) where: Base-Base interactions energy: -785.822 where: short stacking energy: -389.361 Base-Backbone interact. energy: 3.296 local terms energy: -584.838103 where: bonds (distance) C4'-P energy: -163.971 bonds (distance) P-C4' energy: -177.110 flat angles C4'-P-C4' energy: -136.939 flat angles P-C4'-P energy: -75.764 tors. eta vs tors. theta energy: -31.054 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: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1018.224741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.224741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.224741 (E_RNA) where: Base-Base interactions energy: -550.050 where: short stacking energy: -288.444 Base-Backbone interact. energy: -0.851 local terms energy: -467.323532 where: bonds (distance) C4'-P energy: -122.296 bonds (distance) P-C4' energy: -162.600 flat angles C4'-P-C4' energy: -112.603 flat angles P-C4'-P energy: -88.899 tors. eta vs tors. theta energy: 19.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3219.581556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.581556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.581556 (E_RNA) where: Base-Base interactions energy: -2209.977 where: short stacking energy: -950.594 Base-Backbone interact. energy: -4.978 local terms energy: -1004.626967 where: bonds (distance) C4'-P energy: -169.413 bonds (distance) P-C4' energy: -191.155 flat angles C4'-P-C4' energy: -216.018 flat angles P-C4'-P energy: -146.302 tors. eta vs tors. theta energy: -281.739 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: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -3028.529602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.529602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.529602 (E_RNA) where: Base-Base interactions energy: -2092.246 where: short stacking energy: -914.603 Base-Backbone interact. energy: 1.912 local terms energy: -938.196318 where: bonds (distance) C4'-P energy: -175.167 bonds (distance) P-C4' energy: -175.115 flat angles C4'-P-C4' energy: -203.632 flat angles P-C4'-P energy: -119.433 tors. eta vs tors. theta energy: -264.850 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: 10 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -3008.521191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.521191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.521191 (E_RNA) where: Base-Base interactions energy: -2061.623 where: short stacking energy: -883.321 Base-Backbone interact. energy: -5.645 local terms energy: -941.253209 where: bonds (distance) C4'-P energy: -175.775 bonds (distance) P-C4' energy: -176.850 flat angles C4'-P-C4' energy: -199.256 flat angles P-C4'-P energy: -127.778 tors. eta vs tors. theta energy: -261.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2730.555140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.555140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.555140 (E_RNA) where: Base-Base interactions energy: -1879.533 where: short stacking energy: -822.975 Base-Backbone interact. energy: 0.816 local terms energy: -851.838790 where: bonds (distance) C4'-P energy: -155.827 bonds (distance) P-C4' energy: -169.858 flat angles C4'-P-C4' energy: -177.973 flat angles P-C4'-P energy: -115.478 tors. eta vs tors. theta energy: -232.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2469.110600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.110600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.110600 (E_RNA) where: Base-Base interactions energy: -1689.076 where: short stacking energy: -742.477 Base-Backbone interact. energy: -2.385 local terms energy: -777.650005 where: bonds (distance) C4'-P energy: -163.095 bonds (distance) P-C4' energy: -139.759 flat angles C4'-P-C4' energy: -175.025 flat angles P-C4'-P energy: -116.896 tors. eta vs tors. theta energy: -182.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2403.248810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.248810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.248810 (E_RNA) where: Base-Base interactions energy: -1619.234 where: short stacking energy: -717.951 Base-Backbone interact. energy: -5.906 local terms energy: -778.108247 where: bonds (distance) C4'-P energy: -150.807 bonds (distance) P-C4' energy: -145.160 flat angles C4'-P-C4' energy: -181.482 flat angles P-C4'-P energy: -106.946 tors. eta vs tors. theta energy: -193.713 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: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2105.442586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.442586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.442586 (E_RNA) where: Base-Base interactions energy: -1429.301 where: short stacking energy: -612.667 Base-Backbone interact. energy: -3.123 local terms energy: -673.018727 where: bonds (distance) C4'-P energy: -136.778 bonds (distance) P-C4' energy: -162.273 flat angles C4'-P-C4' energy: -163.206 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -130.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1646.515768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.515768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.515768 (E_RNA) where: Base-Base interactions energy: -1039.409 where: short stacking energy: -461.714 Base-Backbone interact. energy: -1.295 local terms energy: -605.811992 where: bonds (distance) C4'-P energy: -137.886 bonds (distance) P-C4' energy: -176.069 flat angles C4'-P-C4' energy: -144.089 flat angles P-C4'-P energy: -82.536 tors. eta vs tors. theta energy: -65.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1330.245120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.245120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.245120 (E_RNA) where: Base-Base interactions energy: -731.397 where: short stacking energy: -377.268 Base-Backbone interact. energy: 0.653 local terms energy: -599.501181 where: bonds (distance) C4'-P energy: -143.194 bonds (distance) P-C4' energy: -175.981 flat angles C4'-P-C4' energy: -156.167 flat angles P-C4'-P energy: -90.883 tors. eta vs tors. theta energy: -33.277 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: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1010.624692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.624692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.624692 (E_RNA) where: Base-Base interactions energy: -524.102 where: short stacking energy: -296.303 Base-Backbone interact. energy: 1.241 local terms energy: -487.763955 where: bonds (distance) C4'-P energy: -146.093 bonds (distance) P-C4' energy: -146.587 flat angles C4'-P-C4' energy: -122.380 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -0.892 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: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3250.551397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.551397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.551397 (E_RNA) where: Base-Base interactions energy: -2221.131 where: short stacking energy: -937.761 Base-Backbone interact. energy: -5.427 local terms energy: -1023.993329 where: bonds (distance) C4'-P energy: -186.729 bonds (distance) P-C4' energy: -197.497 flat angles C4'-P-C4' energy: -213.741 flat angles P-C4'-P energy: -151.934 tors. eta vs tors. theta energy: -274.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -3024.964176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.964176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.964176 (E_RNA) where: Base-Base interactions energy: -2068.074 where: short stacking energy: -902.652 Base-Backbone interact. energy: -0.947 local terms energy: -955.942470 where: bonds (distance) C4'-P energy: -187.094 bonds (distance) P-C4' energy: -173.690 flat angles C4'-P-C4' energy: -209.260 flat angles P-C4'-P energy: -126.979 tors. eta vs tors. theta energy: -258.919 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: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -3022.584595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.584595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.584595 (E_RNA) where: Base-Base interactions energy: -2057.831 where: short stacking energy: -899.338 Base-Backbone interact. energy: -4.079 local terms energy: -960.674760 where: bonds (distance) C4'-P energy: -177.626 bonds (distance) P-C4' energy: -176.507 flat angles C4'-P-C4' energy: -210.142 flat angles P-C4'-P energy: -137.144 tors. eta vs tors. theta energy: -259.256 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: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2684.889668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.889668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.889668 (E_RNA) where: Base-Base interactions energy: -1805.346 where: short stacking energy: -794.995 Base-Backbone interact. energy: -0.315 local terms energy: -879.228403 where: bonds (distance) C4'-P energy: -163.798 bonds (distance) P-C4' energy: -177.113 flat angles C4'-P-C4' energy: -191.570 flat angles P-C4'-P energy: -126.250 tors. eta vs tors. theta energy: -220.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2471.687532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.687532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.687532 (E_RNA) where: Base-Base interactions energy: -1649.604 where: short stacking energy: -730.909 Base-Backbone interact. energy: -3.096 local terms energy: -818.987609 where: bonds (distance) C4'-P energy: -152.675 bonds (distance) P-C4' energy: -170.475 flat angles C4'-P-C4' energy: -188.021 flat angles P-C4'-P energy: -120.888 tors. eta vs tors. theta energy: -186.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2395.822991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.822991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.822991 (E_RNA) where: Base-Base interactions energy: -1626.509 where: short stacking energy: -712.060 Base-Backbone interact. energy: -6.795 local terms energy: -762.518767 where: bonds (distance) C4'-P energy: -143.988 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -176.187 flat angles P-C4'-P energy: -104.764 tors. eta vs tors. theta energy: -186.347 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: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2085.798968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.798968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.798968 (E_RNA) where: Base-Base interactions energy: -1386.209 where: short stacking energy: -608.072 Base-Backbone interact. energy: -1.749 local terms energy: -697.841137 where: bonds (distance) C4'-P energy: -146.909 bonds (distance) P-C4' energy: -156.225 flat angles C4'-P-C4' energy: -170.180 flat angles P-C4'-P energy: -110.787 tors. eta vs tors. theta energy: -113.740 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: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1666.917404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.917404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.917404 (E_RNA) where: Base-Base interactions energy: -1017.198 where: short stacking energy: -458.489 Base-Backbone interact. energy: -2.753 local terms energy: -646.966060 where: bonds (distance) C4'-P energy: -161.355 bonds (distance) P-C4' energy: -148.406 flat angles C4'-P-C4' energy: -147.270 flat angles P-C4'-P energy: -104.512 tors. eta vs tors. theta energy: -85.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1357.010605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.010605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.010605 (E_RNA) where: Base-Base interactions energy: -793.733 where: short stacking energy: -406.122 Base-Backbone interact. energy: 3.392 local terms energy: -566.670276 where: bonds (distance) C4'-P energy: -122.336 bonds (distance) P-C4' energy: -164.663 flat angles C4'-P-C4' energy: -129.376 flat angles P-C4'-P energy: -102.942 tors. eta vs tors. theta energy: -47.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1064.272417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.272417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.272417 (E_RNA) where: Base-Base interactions energy: -565.499 where: short stacking energy: -316.044 Base-Backbone interact. energy: 5.638 local terms energy: -504.411330 where: bonds (distance) C4'-P energy: -148.560 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: 8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3200.149513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.149513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.149513 (E_RNA) where: Base-Base interactions energy: -2189.676 where: short stacking energy: -951.174 Base-Backbone interact. energy: -1.948 local terms energy: -1008.525775 where: bonds (distance) C4'-P energy: -180.370 bonds (distance) P-C4' energy: -187.752 flat angles C4'-P-C4' energy: -208.593 flat angles P-C4'-P energy: -148.520 tors. eta vs tors. theta energy: -283.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -3034.783254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.783254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.783254 (E_RNA) where: Base-Base interactions energy: -2082.437 where: short stacking energy: -890.152 Base-Backbone interact. energy: -2.972 local terms energy: -949.373498 where: bonds (distance) C4'-P energy: -184.988 bonds (distance) P-C4' energy: -178.744 flat angles C4'-P-C4' energy: -195.432 flat angles P-C4'-P energy: -144.130 tors. eta vs tors. theta energy: -246.079 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: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2979.545147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.545147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.545147 (E_RNA) where: Base-Base interactions energy: -2060.656 where: short stacking energy: -879.468 Base-Backbone interact. energy: -3.669 local terms energy: -915.219902 where: bonds (distance) C4'-P energy: -149.927 bonds (distance) P-C4' energy: -162.511 flat angles C4'-P-C4' energy: -216.964 flat angles P-C4'-P energy: -132.049 tors. eta vs tors. theta energy: -253.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2690.824988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.824988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.824988 (E_RNA) where: Base-Base interactions energy: -1813.526 where: short stacking energy: -807.967 Base-Backbone interact. energy: -2.672 local terms energy: -874.626620 where: bonds (distance) C4'-P energy: -193.530 bonds (distance) P-C4' energy: -174.749 flat angles C4'-P-C4' energy: -170.042 flat angles P-C4'-P energy: -118.937 tors. eta vs tors. theta energy: -217.368 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: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2498.487429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.487429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.487429 (E_RNA) where: Base-Base interactions energy: -1686.802 where: short stacking energy: -748.176 Base-Backbone interact. energy: -4.086 local terms energy: -807.599138 where: bonds (distance) C4'-P energy: -161.243 bonds (distance) P-C4' energy: -163.654 flat angles C4'-P-C4' energy: -171.270 flat angles P-C4'-P energy: -113.322 tors. eta vs tors. theta energy: -198.110 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: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2416.190930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.190930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.190930 (E_RNA) where: Base-Base interactions energy: -1606.477 where: short stacking energy: -710.901 Base-Backbone interact. energy: -3.548 local terms energy: -806.165523 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -193.011 flat angles C4'-P-C4' energy: -166.171 flat angles P-C4'-P energy: -123.352 tors. eta vs tors. theta energy: -180.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2170.494763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.494763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.494763 (E_RNA) where: Base-Base interactions energy: -1444.130 where: short stacking energy: -613.032 Base-Backbone interact. energy: 6.078 local terms energy: -732.442156 where: bonds (distance) C4'-P energy: -147.838 bonds (distance) P-C4' energy: -176.135 flat angles C4'-P-C4' energy: -166.825 flat angles P-C4'-P energy: -109.580 tors. eta vs tors. theta energy: -132.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1659.559505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.559505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.559505 (E_RNA) where: Base-Base interactions energy: -1044.417 where: short stacking energy: -487.903 Base-Backbone interact. energy: 2.008 local terms energy: -617.150823 where: bonds (distance) C4'-P energy: -137.716 bonds (distance) P-C4' energy: -161.218 flat angles C4'-P-C4' energy: -138.673 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: -92.899 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: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1293.334365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.334365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.334365 (E_RNA) where: Base-Base interactions energy: -771.573 where: short stacking energy: -390.173 Base-Backbone interact. energy: -3.724 local terms energy: -518.038071 where: bonds (distance) C4'-P energy: -139.811 bonds (distance) P-C4' energy: -132.088 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -74.031 tors. eta vs tors. theta energy: -35.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1057.849171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.849171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.849171 (E_RNA) where: Base-Base interactions energy: -542.175 where: short stacking energy: -289.151 Base-Backbone interact. energy: 0.281 local terms energy: -515.955220 where: bonds (distance) C4'-P energy: -151.976 bonds (distance) P-C4' energy: -157.323 flat angles C4'-P-C4' energy: -125.705 flat angles P-C4'-P energy: -86.960 tors. eta vs tors. theta energy: 6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3249.531710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3249.531710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3249.531710 (E_RNA) where: Base-Base interactions energy: -2230.499 where: short stacking energy: -970.073 Base-Backbone interact. energy: -6.662 local terms energy: -1012.371493 where: bonds (distance) C4'-P energy: -188.788 bonds (distance) P-C4' energy: -177.402 flat angles C4'-P-C4' energy: -217.481 flat angles P-C4'-P energy: -145.800 tors. eta vs tors. theta energy: -282.901 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: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3059.051716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.051716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.051716 (E_RNA) where: Base-Base interactions energy: -2096.768 where: short stacking energy: -899.646 Base-Backbone interact. energy: -3.877 local terms energy: -958.406106 where: bonds (distance) C4'-P energy: -173.106 bonds (distance) P-C4' energy: -194.436 flat angles C4'-P-C4' energy: -191.340 flat angles P-C4'-P energy: -141.869 tors. eta vs tors. theta energy: -257.655 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: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2966.109375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.109375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.109375 (E_RNA) where: Base-Base interactions energy: -2055.865 where: short stacking energy: -898.716 Base-Backbone interact. energy: -4.387 local terms energy: -905.857134 where: bonds (distance) C4'-P energy: -161.541 bonds (distance) P-C4' energy: -174.934 flat angles C4'-P-C4' energy: -188.666 flat angles P-C4'-P energy: -114.549 tors. eta vs tors. theta energy: -266.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2656.318300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.318300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.318300 (E_RNA) where: Base-Base interactions energy: -1798.937 where: short stacking energy: -840.974 Base-Backbone interact. energy: 1.100 local terms energy: -858.481226 where: bonds (distance) C4'-P energy: -165.021 bonds (distance) P-C4' energy: -176.486 flat angles C4'-P-C4' energy: -174.843 flat angles P-C4'-P energy: -109.907 tors. eta vs tors. theta energy: -232.224 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: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2520.761654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.761654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.761654 (E_RNA) where: Base-Base interactions energy: -1693.891 where: short stacking energy: -747.128 Base-Backbone interact. energy: -2.949 local terms energy: -823.922426 where: bonds (distance) C4'-P energy: -163.542 bonds (distance) P-C4' energy: -171.221 flat angles C4'-P-C4' energy: -188.995 flat angles P-C4'-P energy: -106.366 tors. eta vs tors. theta energy: -193.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2379.085753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.085753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.085753 (E_RNA) where: Base-Base interactions energy: -1612.089 where: short stacking energy: -708.391 Base-Backbone interact. energy: -2.777 local terms energy: -764.219224 where: bonds (distance) C4'-P energy: -167.252 bonds (distance) P-C4' energy: -150.987 flat angles C4'-P-C4' energy: -166.081 flat angles P-C4'-P energy: -116.314 tors. eta vs tors. theta energy: -163.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2181.478064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.478064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.478064 (E_RNA) where: Base-Base interactions energy: -1473.744 where: short stacking energy: -641.742 Base-Backbone interact. energy: 5.726 local terms energy: -713.460017 where: bonds (distance) C4'-P energy: -145.150 bonds (distance) P-C4' energy: -155.256 flat angles C4'-P-C4' energy: -173.675 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -152.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1655.448151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.448151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.448151 (E_RNA) where: Base-Base interactions energy: -1027.371 where: short stacking energy: -467.675 Base-Backbone interact. energy: -1.959 local terms energy: -626.118192 where: bonds (distance) C4'-P energy: -148.193 bonds (distance) P-C4' energy: -161.877 flat angles C4'-P-C4' energy: -144.446 flat angles P-C4'-P energy: -85.242 tors. eta vs tors. theta energy: -86.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1351.144333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.144333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.144333 (E_RNA) where: Base-Base interactions energy: -792.471 where: short stacking energy: -382.176 Base-Backbone interact. energy: -1.293 local terms energy: -557.379712 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -174.082 flat angles C4'-P-C4' energy: -132.809 flat angles P-C4'-P energy: -75.604 tors. eta vs tors. theta energy: -52.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1103.795947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.795947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.795947 (E_RNA) where: Base-Base interactions energy: -587.554 where: short stacking energy: -321.658 Base-Backbone interact. energy: -1.346 local terms energy: -514.895863 where: bonds (distance) C4'-P energy: -138.840 bonds (distance) P-C4' energy: -167.457 flat angles C4'-P-C4' energy: -117.543 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -18.046 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: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3263.751990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.751990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.751990 (E_RNA) where: Base-Base interactions energy: -2234.647 where: short stacking energy: -941.195 Base-Backbone interact. energy: -6.034 local terms energy: -1023.071538 where: bonds (distance) C4'-P energy: -188.594 bonds (distance) P-C4' energy: -191.225 flat angles C4'-P-C4' energy: -211.281 flat angles P-C4'-P energy: -153.029 tors. eta vs tors. theta energy: -278.942 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: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3072.849736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.849736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.849736 (E_RNA) where: Base-Base interactions energy: -2106.727 where: short stacking energy: -893.434 Base-Backbone interact. energy: -2.682 local terms energy: -963.440354 where: bonds (distance) C4'-P energy: -175.910 bonds (distance) P-C4' energy: -181.287 flat angles C4'-P-C4' energy: -213.209 flat angles P-C4'-P energy: -140.824 tors. eta vs tors. theta energy: -252.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -3002.771149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.771149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.771149 (E_RNA) where: Base-Base interactions energy: -2067.277 where: short stacking energy: -895.855 Base-Backbone interact. energy: -5.556 local terms energy: -929.938467 where: bonds (distance) C4'-P energy: -176.076 bonds (distance) P-C4' energy: -160.155 flat angles C4'-P-C4' energy: -206.311 flat angles P-C4'-P energy: -130.405 tors. eta vs tors. theta energy: -256.991 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: 4, replica: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2725.827880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.827880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.827880 (E_RNA) where: Base-Base interactions energy: -1835.277 where: short stacking energy: -824.846 Base-Backbone interact. energy: -1.708 local terms energy: -888.842219 where: bonds (distance) C4'-P energy: -181.486 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -201.752 flat angles P-C4'-P energy: -127.353 tors. eta vs tors. theta energy: -217.729 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: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2510.324360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.324360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.324360 (E_RNA) where: Base-Base interactions energy: -1655.376 where: short stacking energy: -721.406 Base-Backbone interact. energy: 2.523 local terms energy: -857.470800 where: bonds (distance) C4'-P energy: -176.160 bonds (distance) P-C4' energy: -176.527 flat angles C4'-P-C4' energy: -186.207 flat angles P-C4'-P energy: -124.686 tors. eta vs tors. theta energy: -193.891 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: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2286.043589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.043589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.043589 (E_RNA) where: Base-Base interactions energy: -1549.490 where: short stacking energy: -701.485 Base-Backbone interact. energy: -6.402 local terms energy: -730.151706 where: bonds (distance) C4'-P energy: -130.250 bonds (distance) P-C4' energy: -147.594 flat angles C4'-P-C4' energy: -169.689 flat angles P-C4'-P energy: -106.299 tors. eta vs tors. theta energy: -176.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2165.002335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.002335 (E_RNA) where: Base-Base interactions energy: -1453.129 where: short stacking energy: -645.663 Base-Backbone interact. energy: -3.278 local terms energy: -708.595396 where: bonds (distance) C4'-P energy: -131.251 bonds (distance) P-C4' energy: -145.859 flat angles C4'-P-C4' energy: -180.641 flat angles P-C4'-P energy: -106.297 tors. eta vs tors. theta energy: -144.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1639.747427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.747427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.747427 (E_RNA) where: Base-Base interactions energy: -1022.391 where: short stacking energy: -453.116 Base-Backbone interact. energy: 8.662 local terms energy: -626.018567 where: bonds (distance) C4'-P energy: -139.102 bonds (distance) P-C4' energy: -174.224 flat angles C4'-P-C4' energy: -168.087 flat angles P-C4'-P energy: -85.575 tors. eta vs tors. theta energy: -59.032 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: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1380.826332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.826332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.826332 (E_RNA) where: Base-Base interactions energy: -807.277 where: short stacking energy: -411.926 Base-Backbone interact. energy: -1.084 local terms energy: -572.465077 where: bonds (distance) C4'-P energy: -143.293 bonds (distance) P-C4' energy: -158.814 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -109.915 tors. eta vs tors. theta energy: -42.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1080.297918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.297918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.297918 (E_RNA) where: Base-Base interactions energy: -592.292 where: short stacking energy: -296.634 Base-Backbone interact. energy: 0.961 local terms energy: -488.966504 where: bonds (distance) C4'-P energy: -143.829 bonds (distance) P-C4' energy: -147.092 flat angles C4'-P-C4' energy: -119.445 flat angles P-C4'-P energy: -69.278 tors. eta vs tors. theta energy: -9.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3260.520980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.520980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.520980 (E_RNA) where: Base-Base interactions energy: -2259.403 where: short stacking energy: -962.620 Base-Backbone interact. energy: -6.239 local terms energy: -994.878901 where: bonds (distance) C4'-P energy: -179.383 bonds (distance) P-C4' energy: -183.727 flat angles C4'-P-C4' energy: -209.424 flat angles P-C4'-P energy: -139.017 tors. eta vs tors. theta energy: -283.328 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: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -3083.977040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.977040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.977040 (E_RNA) where: Base-Base interactions energy: -2138.139 where: short stacking energy: -960.717 Base-Backbone interact. energy: -7.403 local terms energy: -938.434791 where: bonds (distance) C4'-P energy: -159.898 bonds (distance) P-C4' energy: -181.549 flat angles C4'-P-C4' energy: -196.674 flat angles P-C4'-P energy: -125.323 tors. eta vs tors. theta energy: -274.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2985.690120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.690120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.690120 (E_RNA) where: Base-Base interactions energy: -2075.204 where: short stacking energy: -903.315 Base-Backbone interact. energy: -0.797 local terms energy: -909.688890 where: bonds (distance) C4'-P energy: -145.425 bonds (distance) P-C4' energy: -159.370 flat angles C4'-P-C4' energy: -195.967 flat angles P-C4'-P energy: -148.337 tors. eta vs tors. theta energy: -260.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2632.525936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.525936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.525936 (E_RNA) where: Base-Base interactions energy: -1754.389 where: short stacking energy: -786.115 Base-Backbone interact. energy: -5.783 local terms energy: -872.353704 where: bonds (distance) C4'-P energy: -144.732 bonds (distance) P-C4' energy: -182.475 flat angles C4'-P-C4' energy: -198.816 flat angles P-C4'-P energy: -137.239 tors. eta vs tors. theta energy: -209.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2460.829676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.829676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.829676 (E_RNA) where: Base-Base interactions energy: -1660.923 where: short stacking energy: -738.514 Base-Backbone interact. energy: 0.693 local terms energy: -800.600430 where: bonds (distance) C4'-P energy: -146.689 bonds (distance) P-C4' energy: -182.363 flat angles C4'-P-C4' energy: -188.168 flat angles P-C4'-P energy: -106.249 tors. eta vs tors. theta energy: -177.133 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: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2357.451098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.451098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.451098 (E_RNA) where: Base-Base interactions energy: -1540.562 where: short stacking energy: -709.254 Base-Backbone interact. energy: -5.427 local terms energy: -811.461889 where: bonds (distance) C4'-P energy: -165.502 bonds (distance) P-C4' energy: -175.438 flat angles C4'-P-C4' energy: -167.348 flat angles P-C4'-P energy: -121.919 tors. eta vs tors. theta energy: -181.255 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: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2213.439701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.439701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.439701 (E_RNA) where: Base-Base interactions energy: -1480.936 where: short stacking energy: -615.878 Base-Backbone interact. energy: -1.251 local terms energy: -731.253550 where: bonds (distance) C4'-P energy: -142.976 bonds (distance) P-C4' energy: -142.048 flat angles C4'-P-C4' energy: -174.402 flat angles P-C4'-P energy: -125.454 tors. eta vs tors. theta energy: -146.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1625.628187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.628187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.628187 (E_RNA) where: Base-Base interactions energy: -1003.004 where: short stacking energy: -480.008 Base-Backbone interact. energy: -3.680 local terms energy: -618.944367 where: bonds (distance) C4'-P energy: -143.708 bonds (distance) P-C4' energy: -155.059 flat angles C4'-P-C4' energy: -142.951 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -93.410 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: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1309.870386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.870386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.870386 (E_RNA) where: Base-Base interactions energy: -784.032 where: short stacking energy: -386.338 Base-Backbone interact. energy: 2.818 local terms energy: -528.656975 where: bonds (distance) C4'-P energy: -122.421 bonds (distance) P-C4' energy: -160.802 flat angles C4'-P-C4' energy: -139.762 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -49.984 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: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1109.321454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.321454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.321454 (E_RNA) where: Base-Base interactions energy: -599.758 where: short stacking energy: -330.113 Base-Backbone interact. energy: 4.742 local terms energy: -514.305104 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -163.437 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -21.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3244.916553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.916553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.916553 (E_RNA) where: Base-Base interactions energy: -2255.619 where: short stacking energy: -951.844 Base-Backbone interact. energy: -4.727 local terms energy: -984.571001 where: bonds (distance) C4'-P energy: -182.605 bonds (distance) P-C4' energy: -194.565 flat angles C4'-P-C4' energy: -200.563 flat angles P-C4'-P energy: -129.827 tors. eta vs tors. theta energy: -277.011 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: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3126.241581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.241581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.241581 (E_RNA) where: Base-Base interactions energy: -2149.995 where: short stacking energy: -932.186 Base-Backbone interact. energy: 0.510 local terms energy: -976.756982 where: bonds (distance) C4'-P energy: -192.755 bonds (distance) P-C4' energy: -182.248 flat angles C4'-P-C4' energy: -196.134 flat angles P-C4'-P energy: -135.874 tors. eta vs tors. theta energy: -269.746 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: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -3021.112131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.112131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.112131 (E_RNA) where: Base-Base interactions energy: -2090.007 where: short stacking energy: -896.421 Base-Backbone interact. energy: -3.933 local terms energy: -927.171839 where: bonds (distance) C4'-P energy: -153.725 bonds (distance) P-C4' energy: -188.610 flat angles C4'-P-C4' energy: -198.658 flat angles P-C4'-P energy: -123.494 tors. eta vs tors. theta energy: -262.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2612.587626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.587626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.587626 (E_RNA) where: Base-Base interactions energy: -1715.917 where: short stacking energy: -766.027 Base-Backbone interact. energy: -3.450 local terms energy: -893.220385 where: bonds (distance) C4'-P energy: -181.091 bonds (distance) P-C4' energy: -158.402 flat angles C4'-P-C4' energy: -196.348 flat angles P-C4'-P energy: -138.727 tors. eta vs tors. theta energy: -218.652 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: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2497.717971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.717971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.717971 (E_RNA) where: Base-Base interactions energy: -1677.653 where: short stacking energy: -733.855 Base-Backbone interact. energy: -1.968 local terms energy: -818.096662 where: bonds (distance) C4'-P energy: -161.196 bonds (distance) P-C4' energy: -187.869 flat angles C4'-P-C4' energy: -180.430 flat angles P-C4'-P energy: -107.010 tors. eta vs tors. theta energy: -181.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2327.936115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.936115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.936115 (E_RNA) where: Base-Base interactions energy: -1530.159 where: short stacking energy: -649.396 Base-Backbone interact. energy: -5.846 local terms energy: -791.930851 where: bonds (distance) C4'-P energy: -164.072 bonds (distance) P-C4' energy: -169.593 flat angles C4'-P-C4' energy: -189.144 flat angles P-C4'-P energy: -104.429 tors. eta vs tors. theta energy: -164.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2164.387543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.387543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.387543 (E_RNA) where: Base-Base interactions energy: -1436.275 where: short stacking energy: -631.658 Base-Backbone interact. energy: -3.236 local terms energy: -724.876400 where: bonds (distance) C4'-P energy: -151.764 bonds (distance) P-C4' energy: -168.559 flat angles C4'-P-C4' energy: -149.864 flat angles P-C4'-P energy: -96.754 tors. eta vs tors. theta energy: -157.934 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: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1617.793730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.793730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.793730 (E_RNA) where: Base-Base interactions energy: -1004.605 where: short stacking energy: -455.178 Base-Backbone interact. energy: 2.623 local terms energy: -615.811623 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -172.635 flat angles C4'-P-C4' energy: -145.759 flat angles P-C4'-P energy: -77.225 tors. eta vs tors. theta energy: -69.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1344.135027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.135027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.135027 (E_RNA) where: Base-Base interactions energy: -770.155 where: short stacking energy: -408.308 Base-Backbone interact. energy: -3.242 local terms energy: -570.738368 where: bonds (distance) C4'-P energy: -140.827 bonds (distance) P-C4' energy: -145.563 flat angles C4'-P-C4' energy: -140.845 flat angles P-C4'-P energy: -85.176 tors. eta vs tors. theta energy: -58.328 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: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1092.329812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.329812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.329812 (E_RNA) where: Base-Base interactions energy: -603.625 where: short stacking energy: -310.207 Base-Backbone interact. energy: 12.955 local terms energy: -501.659916 where: bonds (distance) C4'-P energy: -133.609 bonds (distance) P-C4' energy: -148.552 flat angles C4'-P-C4' energy: -126.497 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -4.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3241.409568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.409568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.409568 (E_RNA) where: Base-Base interactions energy: -2251.700 where: short stacking energy: -957.531 Base-Backbone interact. energy: -4.558 local terms energy: -985.151203 where: bonds (distance) C4'-P energy: -182.774 bonds (distance) P-C4' energy: -178.477 flat angles C4'-P-C4' energy: -208.605 flat angles P-C4'-P energy: -135.587 tors. eta vs tors. theta energy: -279.708 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: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -3106.069144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.069144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.069144 (E_RNA) where: Base-Base interactions energy: -2147.917 where: short stacking energy: -950.742 Base-Backbone interact. energy: 0.003 local terms energy: -958.155722 where: bonds (distance) C4'-P energy: -175.304 bonds (distance) P-C4' energy: -173.062 flat angles C4'-P-C4' energy: -200.613 flat angles P-C4'-P energy: -139.075 tors. eta vs tors. theta energy: -270.101 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: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -3049.921055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.921055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.921055 (E_RNA) where: Base-Base interactions energy: -2097.387 where: short stacking energy: -925.509 Base-Backbone interact. energy: -4.344 local terms energy: -948.190757 where: bonds (distance) C4'-P energy: -169.920 bonds (distance) P-C4' energy: -182.863 flat angles C4'-P-C4' energy: -204.213 flat angles P-C4'-P energy: -126.009 tors. eta vs tors. theta energy: -265.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2682.997912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.997912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.997912 (E_RNA) where: Base-Base interactions energy: -1818.250 where: short stacking energy: -824.636 Base-Backbone interact. energy: -7.445 local terms energy: -857.303646 where: bonds (distance) C4'-P energy: -164.272 bonds (distance) P-C4' energy: -165.577 flat angles C4'-P-C4' energy: -170.903 flat angles P-C4'-P energy: -129.585 tors. eta vs tors. theta energy: -226.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2528.664311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.664311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.664311 (E_RNA) where: Base-Base interactions energy: -1670.874 where: short stacking energy: -747.599 Base-Backbone interact. energy: 3.377 local terms energy: -861.167334 where: bonds (distance) C4'-P energy: -176.419 bonds (distance) P-C4' energy: -168.501 flat angles C4'-P-C4' energy: -188.888 flat angles P-C4'-P energy: -118.437 tors. eta vs tors. theta energy: -208.923 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: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2312.965614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.965614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.965614 (E_RNA) where: Base-Base interactions energy: -1545.388 where: short stacking energy: -668.790 Base-Backbone interact. energy: -2.420 local terms energy: -765.157966 where: bonds (distance) C4'-P energy: -143.141 bonds (distance) P-C4' energy: -158.472 flat angles C4'-P-C4' energy: -175.377 flat angles P-C4'-P energy: -120.188 tors. eta vs tors. theta energy: -167.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2147.557329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.557329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.557329 (E_RNA) where: Base-Base interactions energy: -1426.030 where: short stacking energy: -627.433 Base-Backbone interact. energy: -2.087 local terms energy: -719.440622 where: bonds (distance) C4'-P energy: -130.780 bonds (distance) P-C4' energy: -164.320 flat angles C4'-P-C4' energy: -173.086 flat angles P-C4'-P energy: -114.854 tors. eta vs tors. theta energy: -136.399 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: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1715.154304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.154304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.154304 (E_RNA) where: Base-Base interactions energy: -1073.462 where: short stacking energy: -501.888 Base-Backbone interact. energy: 16.222 local terms energy: -657.913460 where: bonds (distance) C4'-P energy: -163.281 bonds (distance) P-C4' energy: -172.254 flat angles C4'-P-C4' energy: -138.080 flat angles P-C4'-P energy: -99.469 tors. eta vs tors. theta energy: -84.830 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: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1260.496877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.496877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.496877 (E_RNA) where: Base-Base interactions energy: -734.366 where: short stacking energy: -374.825 Base-Backbone interact. energy: 0.523 local terms energy: -526.653631 where: bonds (distance) C4'-P energy: -154.130 bonds (distance) P-C4' energy: -152.190 flat angles C4'-P-C4' energy: -129.203 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -18.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1145.008177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.008177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.008177 (E_RNA) where: Base-Base interactions energy: -611.207 where: short stacking energy: -323.016 Base-Backbone interact. energy: 1.654 local terms energy: -535.454764 where: bonds (distance) C4'-P energy: -141.414 bonds (distance) P-C4' energy: -142.826 flat angles C4'-P-C4' energy: -149.639 flat angles P-C4'-P energy: -82.023 tors. eta vs tors. theta energy: -19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3276.851555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.851555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.851555 (E_RNA) where: Base-Base interactions energy: -2267.489 where: short stacking energy: -955.453 Base-Backbone interact. energy: -8.355 local terms energy: -1001.007008 where: bonds (distance) C4'-P energy: -179.165 bonds (distance) P-C4' energy: -183.923 flat angles C4'-P-C4' energy: -214.132 flat angles P-C4'-P energy: -133.520 tors. eta vs tors. theta energy: -290.267 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: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -3100.214705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.214705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.214705 (E_RNA) where: Base-Base interactions energy: -2143.821 where: short stacking energy: -913.594 Base-Backbone interact. energy: 2.698 local terms energy: -959.091392 where: bonds (distance) C4'-P energy: -180.142 bonds (distance) P-C4' energy: -180.520 flat angles C4'-P-C4' energy: -200.534 flat angles P-C4'-P energy: -133.662 tors. eta vs tors. theta energy: -264.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -3025.409648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.409648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.409648 (E_RNA) where: Base-Base interactions energy: -2090.672 where: short stacking energy: -912.863 Base-Backbone interact. energy: -6.384 local terms energy: -928.353393 where: bonds (distance) C4'-P energy: -156.050 bonds (distance) P-C4' energy: -164.827 flat angles C4'-P-C4' energy: -207.375 flat angles P-C4'-P energy: -132.277 tors. eta vs tors. theta energy: -267.825 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: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2715.869969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.869969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.869969 (E_RNA) where: Base-Base interactions energy: -1823.919 where: short stacking energy: -791.533 Base-Backbone interact. energy: -4.804 local terms energy: -887.147386 where: bonds (distance) C4'-P energy: -154.816 bonds (distance) P-C4' energy: -184.974 flat angles C4'-P-C4' energy: -180.436 flat angles P-C4'-P energy: -138.534 tors. eta vs tors. theta energy: -228.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2492.990717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.990717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.990717 (E_RNA) where: Base-Base interactions energy: -1684.863 where: short stacking energy: -737.534 Base-Backbone interact. energy: -1.983 local terms energy: -806.144745 where: bonds (distance) C4'-P energy: -161.867 bonds (distance) P-C4' energy: -147.026 flat angles C4'-P-C4' energy: -182.922 flat angles P-C4'-P energy: -101.579 tors. eta vs tors. theta energy: -212.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2290.167124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.167124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.167124 (E_RNA) where: Base-Base interactions energy: -1527.291 where: short stacking energy: -669.721 Base-Backbone interact. energy: -3.138 local terms energy: -759.738666 where: bonds (distance) C4'-P energy: -160.232 bonds (distance) P-C4' energy: -133.502 flat angles C4'-P-C4' energy: -191.695 flat angles P-C4'-P energy: -101.322 tors. eta vs tors. theta energy: -172.986 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: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2134.481275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.481275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.481275 (E_RNA) where: Base-Base interactions energy: -1427.042 where: short stacking energy: -635.737 Base-Backbone interact. energy: -2.884 local terms energy: -704.554627 where: bonds (distance) C4'-P energy: -145.664 bonds (distance) P-C4' energy: -153.909 flat angles C4'-P-C4' energy: -165.514 flat angles P-C4'-P energy: -98.770 tors. eta vs tors. theta energy: -140.697 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: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1693.250100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.250100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.250100 (E_RNA) where: Base-Base interactions energy: -1029.977 where: short stacking energy: -501.723 Base-Backbone interact. energy: -3.885 local terms energy: -659.387758 where: bonds (distance) C4'-P energy: -154.909 bonds (distance) P-C4' energy: -157.365 flat angles C4'-P-C4' energy: -166.201 flat angles P-C4'-P energy: -94.416 tors. eta vs tors. theta energy: -86.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1249.261839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.261839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.261839 (E_RNA) where: Base-Base interactions energy: -721.667 where: short stacking energy: -357.217 Base-Backbone interact. energy: 1.527 local terms energy: -529.121574 where: bonds (distance) C4'-P energy: -145.961 bonds (distance) P-C4' energy: -160.556 flat angles C4'-P-C4' energy: -133.102 flat angles P-C4'-P energy: -77.024 tors. eta vs tors. theta energy: -12.478 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: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1140.107286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.107286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.107286 (E_RNA) where: Base-Base interactions energy: -626.201 where: short stacking energy: -321.222 Base-Backbone interact. energy: 1.839 local terms energy: -515.745618 where: bonds (distance) C4'-P energy: -159.874 bonds (distance) P-C4' energy: -134.626 flat angles C4'-P-C4' energy: -139.094 flat angles P-C4'-P energy: -72.387 tors. eta vs tors. theta energy: -9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3259.183482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.183482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.183482 (E_RNA) where: Base-Base interactions energy: -2281.967 where: short stacking energy: -959.637 Base-Backbone interact. energy: -4.054 local terms energy: -973.162241 where: bonds (distance) C4'-P energy: -167.991 bonds (distance) P-C4' energy: -176.205 flat angles C4'-P-C4' energy: -224.784 flat angles P-C4'-P energy: -140.027 tors. eta vs tors. theta energy: -264.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -3062.298538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.298538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.298538 (E_RNA) where: Base-Base interactions energy: -2131.529 where: short stacking energy: -913.465 Base-Backbone interact. energy: -4.073 local terms energy: -926.696294 where: bonds (distance) C4'-P energy: -180.788 bonds (distance) P-C4' energy: -179.427 flat angles C4'-P-C4' energy: -189.846 flat angles P-C4'-P energy: -123.787 tors. eta vs tors. theta energy: -252.849 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: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -3006.918868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.918868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.918868 (E_RNA) where: Base-Base interactions energy: -2050.807 where: short stacking energy: -868.483 Base-Backbone interact. energy: -3.676 local terms energy: -952.436287 where: bonds (distance) C4'-P energy: -170.576 bonds (distance) P-C4' energy: -179.562 flat angles C4'-P-C4' energy: -186.920 flat angles P-C4'-P energy: -151.063 tors. eta vs tors. theta energy: -264.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2678.155629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.155629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.155629 (E_RNA) where: Base-Base interactions energy: -1798.455 where: short stacking energy: -792.721 Base-Backbone interact. energy: -1.357 local terms energy: -878.342775 where: bonds (distance) C4'-P energy: -165.316 bonds (distance) P-C4' energy: -162.939 flat angles C4'-P-C4' energy: -204.955 flat angles P-C4'-P energy: -127.023 tors. eta vs tors. theta energy: -218.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2487.508550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.508550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.508550 (E_RNA) where: Base-Base interactions energy: -1677.399 where: short stacking energy: -744.537 Base-Backbone interact. energy: -2.029 local terms energy: -808.080650 where: bonds (distance) C4'-P energy: -153.020 bonds (distance) P-C4' energy: -169.920 flat angles C4'-P-C4' energy: -177.534 flat angles P-C4'-P energy: -123.309 tors. eta vs tors. theta energy: -184.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2255.514251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.514251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.514251 (E_RNA) where: Base-Base interactions energy: -1507.378 where: short stacking energy: -662.008 Base-Backbone interact. energy: -6.006 local terms energy: -742.130857 where: bonds (distance) C4'-P energy: -136.194 bonds (distance) P-C4' energy: -144.963 flat angles C4'-P-C4' energy: -187.135 flat angles P-C4'-P energy: -110.192 tors. eta vs tors. theta energy: -163.647 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: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2016.259704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.259704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.259704 (E_RNA) where: Base-Base interactions energy: -1278.506 where: short stacking energy: -578.839 Base-Backbone interact. energy: -6.759 local terms energy: -730.995188 where: bonds (distance) C4'-P energy: -151.634 bonds (distance) P-C4' energy: -164.699 flat angles C4'-P-C4' energy: -168.567 flat angles P-C4'-P energy: -109.316 tors. eta vs tors. theta energy: -136.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1569.460456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.460456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.460456 (E_RNA) where: Base-Base interactions energy: -956.368 where: short stacking energy: -454.777 Base-Backbone interact. energy: -0.316 local terms energy: -612.776220 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -157.577 flat angles C4'-P-C4' energy: -140.784 flat angles P-C4'-P energy: -98.998 tors. eta vs tors. theta energy: -72.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1250.980862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.980862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.980862 (E_RNA) where: Base-Base interactions energy: -722.713 where: short stacking energy: -341.794 Base-Backbone interact. energy: 2.767 local terms energy: -531.034364 where: bonds (distance) C4'-P energy: -135.095 bonds (distance) P-C4' energy: -156.363 flat angles C4'-P-C4' energy: -129.751 flat angles P-C4'-P energy: -96.175 tors. eta vs tors. theta energy: -13.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1059.674397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.674397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.674397 (E_RNA) where: Base-Base interactions energy: -555.080 where: short stacking energy: -289.043 Base-Backbone interact. energy: 5.266 local terms energy: -509.860771 where: bonds (distance) C4'-P energy: -140.404 bonds (distance) P-C4' energy: -158.135 flat angles C4'-P-C4' energy: -132.280 flat angles P-C4'-P energy: -86.617 tors. eta vs tors. theta energy: 7.575 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: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3223.987388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.987388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.987388 (E_RNA) where: Base-Base interactions energy: -2251.644 where: short stacking energy: -954.057 Base-Backbone interact. energy: -0.685 local terms energy: -971.658398 where: bonds (distance) C4'-P energy: -184.056 bonds (distance) P-C4' energy: -191.840 flat angles C4'-P-C4' energy: -203.541 flat angles P-C4'-P energy: -116.891 tors. eta vs tors. theta energy: -275.331 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: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -3090.357816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.357816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.357816 (E_RNA) where: Base-Base interactions energy: -2129.057 where: short stacking energy: -897.572 Base-Backbone interact. energy: -5.209 local terms energy: -956.091817 where: bonds (distance) C4'-P energy: -178.187 bonds (distance) P-C4' energy: -180.336 flat angles C4'-P-C4' energy: -206.062 flat angles P-C4'-P energy: -141.666 tors. eta vs tors. theta energy: -249.841 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: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2960.433600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.433600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.433600 (E_RNA) where: Base-Base interactions energy: -2001.390 where: short stacking energy: -886.030 Base-Backbone interact. energy: -6.273 local terms energy: -952.770817 where: bonds (distance) C4'-P energy: -185.859 bonds (distance) P-C4' energy: -186.113 flat angles C4'-P-C4' energy: -189.415 flat angles P-C4'-P energy: -130.153 tors. eta vs tors. theta energy: -261.231 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: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2662.775139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.775139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.775139 (E_RNA) where: Base-Base interactions energy: -1811.319 where: short stacking energy: -800.518 Base-Backbone interact. energy: -3.600 local terms energy: -847.856302 where: bonds (distance) C4'-P energy: -162.087 bonds (distance) P-C4' energy: -172.173 flat angles C4'-P-C4' energy: -193.524 flat angles P-C4'-P energy: -114.572 tors. eta vs tors. theta energy: -205.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2502.973363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.973363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.973363 (E_RNA) where: Base-Base interactions energy: -1708.783 where: short stacking energy: -750.168 Base-Backbone interact. energy: -3.185 local terms energy: -791.005597 where: bonds (distance) C4'-P energy: -145.734 bonds (distance) P-C4' energy: -164.587 flat angles C4'-P-C4' energy: -183.453 flat angles P-C4'-P energy: -108.977 tors. eta vs tors. theta energy: -188.254 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: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2296.940589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.940589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.940589 (E_RNA) where: Base-Base interactions energy: -1545.588 where: short stacking energy: -670.581 Base-Backbone interact. energy: -3.704 local terms energy: -747.649188 where: bonds (distance) C4'-P energy: -159.348 bonds (distance) P-C4' energy: -140.461 flat angles C4'-P-C4' energy: -187.920 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -150.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2054.911720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.911720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.911720 (E_RNA) where: Base-Base interactions energy: -1338.939 where: short stacking energy: -600.109 Base-Backbone interact. energy: 2.009 local terms energy: -717.981736 where: bonds (distance) C4'-P energy: -153.456 bonds (distance) P-C4' energy: -170.306 flat angles C4'-P-C4' energy: -161.612 flat angles P-C4'-P energy: -98.293 tors. eta vs tors. theta energy: -134.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1574.961594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.961594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.961594 (E_RNA) where: Base-Base interactions energy: -957.221 where: short stacking energy: -461.788 Base-Backbone interact. energy: 3.252 local terms energy: -620.993023 where: bonds (distance) C4'-P energy: -169.976 bonds (distance) P-C4' energy: -148.210 flat angles C4'-P-C4' energy: -131.858 flat angles P-C4'-P energy: -93.024 tors. eta vs tors. theta energy: -77.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1240.157867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.157867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.157867 (E_RNA) where: Base-Base interactions energy: -710.825 where: short stacking energy: -368.460 Base-Backbone interact. energy: -0.308 local terms energy: -529.025073 where: bonds (distance) C4'-P energy: -145.476 bonds (distance) P-C4' energy: -150.185 flat angles C4'-P-C4' energy: -142.690 flat angles P-C4'-P energy: -65.238 tors. eta vs tors. theta energy: -25.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1147.073479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.073479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.073479 (E_RNA) where: Base-Base interactions energy: -648.294 where: short stacking energy: -346.362 Base-Backbone interact. energy: 3.085 local terms energy: -501.864916 where: bonds (distance) C4'-P energy: -138.924 bonds (distance) P-C4' energy: -154.689 flat angles C4'-P-C4' energy: -116.257 flat angles P-C4'-P energy: -79.287 tors. eta vs tors. theta energy: -12.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3202.441789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.441789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.441789 (E_RNA) where: Base-Base interactions energy: -2199.932 where: short stacking energy: -950.505 Base-Backbone interact. energy: -6.153 local terms energy: -996.357248 where: bonds (distance) C4'-P energy: -186.045 bonds (distance) P-C4' energy: -183.003 flat angles C4'-P-C4' energy: -211.394 flat angles P-C4'-P energy: -144.245 tors. eta vs tors. theta energy: -271.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -3057.305205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.305205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.305205 (E_RNA) where: Base-Base interactions energy: -2102.288 where: short stacking energy: -907.252 Base-Backbone interact. energy: -4.759 local terms energy: -950.258253 where: bonds (distance) C4'-P energy: -183.319 bonds (distance) P-C4' energy: -178.502 flat angles C4'-P-C4' energy: -206.230 flat angles P-C4'-P energy: -133.685 tors. eta vs tors. theta energy: -248.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2975.600737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.600737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.600737 (E_RNA) where: Base-Base interactions energy: -2046.014 where: short stacking energy: -892.948 Base-Backbone interact. energy: 0.188 local terms energy: -929.774913 where: bonds (distance) C4'-P energy: -170.324 bonds (distance) P-C4' energy: -171.575 flat angles C4'-P-C4' energy: -201.562 flat angles P-C4'-P energy: -118.465 tors. eta vs tors. theta energy: -267.849 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: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2708.868446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.868446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.868446 (E_RNA) where: Base-Base interactions energy: -1837.771 where: short stacking energy: -808.759 Base-Backbone interact. energy: -6.255 local terms energy: -864.842346 where: bonds (distance) C4'-P energy: -164.806 bonds (distance) P-C4' energy: -183.137 flat angles C4'-P-C4' energy: -197.630 flat angles P-C4'-P energy: -110.279 tors. eta vs tors. theta energy: -208.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2477.228429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.228429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.228429 (E_RNA) where: Base-Base interactions energy: -1653.339 where: short stacking energy: -739.892 Base-Backbone interact. energy: -1.104 local terms energy: -822.784541 where: bonds (distance) C4'-P energy: -163.846 bonds (distance) P-C4' energy: -183.083 flat angles C4'-P-C4' energy: -167.433 flat angles P-C4'-P energy: -120.144 tors. eta vs tors. theta energy: -188.278 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: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2316.509711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.509711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.509711 (E_RNA) where: Base-Base interactions energy: -1535.804 where: short stacking energy: -674.872 Base-Backbone interact. energy: -1.524 local terms energy: -779.182460 where: bonds (distance) C4'-P energy: -139.280 bonds (distance) P-C4' energy: -185.424 flat angles C4'-P-C4' energy: -179.478 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -182.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2076.776942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.776942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.776942 (E_RNA) where: Base-Base interactions energy: -1354.049 where: short stacking energy: -634.779 Base-Backbone interact. energy: -3.823 local terms energy: -718.904586 where: bonds (distance) C4'-P energy: -128.420 bonds (distance) P-C4' energy: -160.012 flat angles C4'-P-C4' energy: -175.589 flat angles P-C4'-P energy: -112.006 tors. eta vs tors. theta energy: -142.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1754.213894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.213894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.213894 (E_RNA) where: Base-Base interactions energy: -1126.517 where: short stacking energy: -522.659 Base-Backbone interact. energy: 1.408 local terms energy: -629.104932 where: bonds (distance) C4'-P energy: -148.300 bonds (distance) P-C4' energy: -158.835 flat angles C4'-P-C4' energy: -146.852 flat angles P-C4'-P energy: -81.742 tors. eta vs tors. theta energy: -93.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1271.721406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.721406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.721406 (E_RNA) where: Base-Base interactions energy: -721.456 where: short stacking energy: -363.678 Base-Backbone interact. energy: 3.195 local terms energy: -553.459807 where: bonds (distance) C4'-P energy: -144.739 bonds (distance) P-C4' energy: -126.123 flat angles C4'-P-C4' energy: -162.004 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -46.002 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: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1091.273318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.273318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.273318 (E_RNA) where: Base-Base interactions energy: -601.981 where: short stacking energy: -335.509 Base-Backbone interact. energy: 7.353 local terms energy: -496.645645 where: bonds (distance) C4'-P energy: -159.453 bonds (distance) P-C4' energy: -149.329 flat angles C4'-P-C4' energy: -128.310 flat angles P-C4'-P energy: -70.293 tors. eta vs tors. theta energy: 10.740 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: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3195.400527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.400527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.400527 (E_RNA) where: Base-Base interactions energy: -2190.783 where: short stacking energy: -938.111 Base-Backbone interact. energy: -9.519 local terms energy: -995.098414 where: bonds (distance) C4'-P energy: -176.714 bonds (distance) P-C4' energy: -186.091 flat angles C4'-P-C4' energy: -216.893 flat angles P-C4'-P energy: -144.007 tors. eta vs tors. theta energy: -271.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -3031.342538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.342538 (E_RNA) where: Base-Base interactions energy: -2066.379 where: short stacking energy: -913.237 Base-Backbone interact. energy: -2.605 local terms energy: -962.358515 where: bonds (distance) C4'-P energy: -168.470 bonds (distance) P-C4' energy: -189.321 flat angles C4'-P-C4' energy: -204.090 flat angles P-C4'-P energy: -146.662 tors. eta vs tors. theta energy: -253.816 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: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2978.876428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.876428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.876428 (E_RNA) where: Base-Base interactions energy: -2041.053 where: short stacking energy: -877.591 Base-Backbone interact. energy: -7.000 local terms energy: -930.823984 where: bonds (distance) C4'-P energy: -180.357 bonds (distance) P-C4' energy: -178.746 flat angles C4'-P-C4' energy: -194.180 flat angles P-C4'-P energy: -132.869 tors. eta vs tors. theta energy: -244.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2746.016775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.016775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.016775 (E_RNA) where: Base-Base interactions energy: -1865.576 where: short stacking energy: -787.129 Base-Backbone interact. energy: -0.550 local terms energy: -879.891040 where: bonds (distance) C4'-P energy: -176.998 bonds (distance) P-C4' energy: -183.863 flat angles C4'-P-C4' energy: -186.921 flat angles P-C4'-P energy: -116.052 tors. eta vs tors. theta energy: -216.057 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: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2517.685895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.685895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.685895 (E_RNA) where: Base-Base interactions energy: -1739.122 where: short stacking energy: -757.244 Base-Backbone interact. energy: 0.563 local terms energy: -779.126859 where: bonds (distance) C4'-P energy: -156.599 bonds (distance) P-C4' energy: -166.831 flat angles C4'-P-C4' energy: -191.425 flat angles P-C4'-P energy: -73.649 tors. eta vs tors. theta energy: -190.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2317.530959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.530959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.530959 (E_RNA) where: Base-Base interactions energy: -1541.409 where: short stacking energy: -693.909 Base-Backbone interact. energy: 0.414 local terms energy: -776.536372 where: bonds (distance) C4'-P energy: -159.244 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -183.638 flat angles P-C4'-P energy: -108.084 tors. eta vs tors. theta energy: -167.415 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: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2157.107313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.107313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.107313 (E_RNA) where: Base-Base interactions energy: -1463.472 where: short stacking energy: -625.954 Base-Backbone interact. energy: -2.454 local terms energy: -691.181600 where: bonds (distance) C4'-P energy: -132.372 bonds (distance) P-C4' energy: -166.377 flat angles C4'-P-C4' energy: -166.859 flat angles P-C4'-P energy: -83.400 tors. eta vs tors. theta energy: -142.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1743.555680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.555680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.555680 (E_RNA) where: Base-Base interactions energy: -1078.940 where: short stacking energy: -494.566 Base-Backbone interact. energy: 1.409 local terms energy: -666.024928 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -165.611 flat angles C4'-P-C4' energy: -158.369 flat angles P-C4'-P energy: -99.664 tors. eta vs tors. theta energy: -90.638 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: 305 Temperature: 1.300000 Total energy: -1276.484884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.484884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.484884 (E_RNA) where: Base-Base interactions energy: -754.408 where: short stacking energy: -377.238 Base-Backbone interact. energy: -3.928 local terms energy: -518.147936 where: bonds (distance) C4'-P energy: -136.408 bonds (distance) P-C4' energy: -138.171 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -77.717 tors. eta vs tors. theta energy: -26.358 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: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1095.135764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.135764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.135764 (E_RNA) where: Base-Base interactions energy: -610.204 where: short stacking energy: -316.420 Base-Backbone interact. energy: 2.029 local terms energy: -486.960745 where: bonds (distance) C4'-P energy: -141.275 bonds (distance) P-C4' energy: -134.021 flat angles C4'-P-C4' energy: -146.106 flat angles P-C4'-P energy: -77.515 tors. eta vs tors. theta energy: 11.956 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: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3253.030613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.030613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.030613 (E_RNA) where: Base-Base interactions energy: -2265.945 where: short stacking energy: -983.997 Base-Backbone interact. energy: -5.754 local terms energy: -981.331961 where: bonds (distance) C4'-P energy: -174.347 bonds (distance) P-C4' energy: -185.100 flat angles C4'-P-C4' energy: -209.205 flat angles P-C4'-P energy: -137.206 tors. eta vs tors. theta energy: -275.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -3103.575477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.575477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.575477 (E_RNA) where: Base-Base interactions energy: -2134.328 where: short stacking energy: -931.308 Base-Backbone interact. energy: -3.423 local terms energy: -965.823991 where: bonds (distance) C4'-P energy: -170.653 bonds (distance) P-C4' energy: -186.000 flat angles C4'-P-C4' energy: -211.490 flat angles P-C4'-P energy: -139.232 tors. eta vs tors. theta energy: -258.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -3021.734158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.734158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.734158 (E_RNA) where: Base-Base interactions energy: -2081.696 where: short stacking energy: -907.805 Base-Backbone interact. energy: -7.767 local terms energy: -932.270732 where: bonds (distance) C4'-P energy: -184.272 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -205.324 flat angles P-C4'-P energy: -133.426 tors. eta vs tors. theta energy: -258.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2751.834805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.834805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.834805 (E_RNA) where: Base-Base interactions energy: -1857.717 where: short stacking energy: -837.046 Base-Backbone interact. energy: -5.038 local terms energy: -889.079351 where: bonds (distance) C4'-P energy: -162.588 bonds (distance) P-C4' energy: -183.053 flat angles C4'-P-C4' energy: -204.850 flat angles P-C4'-P energy: -112.975 tors. eta vs tors. theta energy: -225.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2537.222336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.222336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.222336 (E_RNA) where: Base-Base interactions energy: -1726.470 where: short stacking energy: -746.067 Base-Backbone interact. energy: -5.808 local terms energy: -804.944618 where: bonds (distance) C4'-P energy: -158.560 bonds (distance) P-C4' energy: -158.033 flat angles C4'-P-C4' energy: -188.696 flat angles P-C4'-P energy: -121.674 tors. eta vs tors. theta energy: -177.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2303.804884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.804884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.804884 (E_RNA) where: Base-Base interactions energy: -1545.517 where: short stacking energy: -692.556 Base-Backbone interact. energy: -1.053 local terms energy: -757.235020 where: bonds (distance) C4'-P energy: -154.378 bonds (distance) P-C4' energy: -166.557 flat angles C4'-P-C4' energy: -178.680 flat angles P-C4'-P energy: -91.766 tors. eta vs tors. theta energy: -165.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2132.117416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.117416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.117416 (E_RNA) where: Base-Base interactions energy: -1413.630 where: short stacking energy: -634.945 Base-Backbone interact. energy: 0.366 local terms energy: -718.853600 where: bonds (distance) C4'-P energy: -134.697 bonds (distance) P-C4' energy: -150.703 flat angles C4'-P-C4' energy: -169.668 flat angles P-C4'-P energy: -119.044 tors. eta vs tors. theta energy: -144.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1667.043236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.043236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.043236 (E_RNA) where: Base-Base interactions energy: -1054.073 where: short stacking energy: -466.638 Base-Backbone interact. energy: 2.702 local terms energy: -615.672530 where: bonds (distance) C4'-P energy: -122.890 bonds (distance) P-C4' energy: -155.509 flat angles C4'-P-C4' energy: -161.719 flat angles P-C4'-P energy: -109.312 tors. eta vs tors. theta energy: -66.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1290.607317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.607317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.607317 (E_RNA) where: Base-Base interactions energy: -705.813 where: short stacking energy: -366.259 Base-Backbone interact. energy: -2.904 local terms energy: -581.890581 where: bonds (distance) C4'-P energy: -160.787 bonds (distance) P-C4' energy: -139.334 flat angles C4'-P-C4' energy: -143.864 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -38.525 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: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1142.590555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.590555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.590555 (E_RNA) where: Base-Base interactions energy: -609.521 where: short stacking energy: -311.282 Base-Backbone interact. energy: 0.013 local terms energy: -533.082396 where: bonds (distance) C4'-P energy: -139.661 bonds (distance) P-C4' energy: -170.267 flat angles C4'-P-C4' energy: -134.320 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -15.177 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: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3238.391845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.391845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.391845 (E_RNA) where: Base-Base interactions energy: -2242.467 where: short stacking energy: -948.358 Base-Backbone interact. energy: -2.986 local terms energy: -992.938512 where: bonds (distance) C4'-P energy: -180.685 bonds (distance) P-C4' energy: -180.499 flat angles C4'-P-C4' energy: -209.863 flat angles P-C4'-P energy: -152.085 tors. eta vs tors. theta energy: -269.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -3069.111017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.111017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.111017 (E_RNA) where: Base-Base interactions energy: -2116.161 where: short stacking energy: -912.539 Base-Backbone interact. energy: -4.315 local terms energy: -948.634939 where: bonds (distance) C4'-P energy: -176.267 bonds (distance) P-C4' energy: -180.721 flat angles C4'-P-C4' energy: -198.264 flat angles P-C4'-P energy: -136.534 tors. eta vs tors. theta energy: -256.848 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: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -3024.655076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.655076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.655076 (E_RNA) where: Base-Base interactions energy: -2101.707 where: short stacking energy: -902.662 Base-Backbone interact. energy: -3.592 local terms energy: -919.356187 where: bonds (distance) C4'-P energy: -151.411 bonds (distance) P-C4' energy: -192.535 flat angles C4'-P-C4' energy: -190.785 flat angles P-C4'-P energy: -125.143 tors. eta vs tors. theta energy: -259.483 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: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2742.079107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.079107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.079107 (E_RNA) where: Base-Base interactions energy: -1886.333 where: short stacking energy: -818.747 Base-Backbone interact. energy: 5.697 local terms energy: -861.442867 where: bonds (distance) C4'-P energy: -172.760 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -187.806 flat angles P-C4'-P energy: -127.028 tors. eta vs tors. theta energy: -214.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2571.738321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.738321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.738321 (E_RNA) where: Base-Base interactions energy: -1759.369 where: short stacking energy: -795.890 Base-Backbone interact. energy: -0.547 local terms energy: -811.822627 where: bonds (distance) C4'-P energy: -168.829 bonds (distance) P-C4' energy: -161.036 flat angles C4'-P-C4' energy: -179.288 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -197.327 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: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2356.521557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.521557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.521557 (E_RNA) where: Base-Base interactions energy: -1609.516 where: short stacking energy: -713.286 Base-Backbone interact. energy: -3.473 local terms energy: -743.532024 where: bonds (distance) C4'-P energy: -145.221 bonds (distance) P-C4' energy: -154.645 flat angles C4'-P-C4' energy: -166.788 flat angles P-C4'-P energy: -108.920 tors. eta vs tors. theta energy: -167.959 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: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1997.331036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.331036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.331036 (E_RNA) where: Base-Base interactions energy: -1313.488 where: short stacking energy: -587.547 Base-Backbone interact. energy: -1.180 local terms energy: -682.662810 where: bonds (distance) C4'-P energy: -138.026 bonds (distance) P-C4' energy: -156.229 flat angles C4'-P-C4' energy: -165.965 flat angles P-C4'-P energy: -97.884 tors. eta vs tors. theta energy: -124.559 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: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1741.467687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.467687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.467687 (E_RNA) where: Base-Base interactions energy: -1111.114 where: short stacking energy: -504.707 Base-Backbone interact. energy: -3.760 local terms energy: -626.593654 where: bonds (distance) C4'-P energy: -125.299 bonds (distance) P-C4' energy: -168.433 flat angles C4'-P-C4' energy: -153.154 flat angles P-C4'-P energy: -88.014 tors. eta vs tors. theta energy: -91.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1307.690997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.690997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.690997 (E_RNA) where: Base-Base interactions energy: -784.129 where: short stacking energy: -387.096 Base-Backbone interact. energy: 7.512 local terms energy: -531.073970 where: bonds (distance) C4'-P energy: -148.229 bonds (distance) P-C4' energy: -140.891 flat angles C4'-P-C4' energy: -128.531 flat angles P-C4'-P energy: -84.579 tors. eta vs tors. theta energy: -28.844 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: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1124.369336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.369336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.369336 (E_RNA) where: Base-Base interactions energy: -600.712 where: short stacking energy: -316.440 Base-Backbone interact. energy: -5.988 local terms energy: -517.669475 where: bonds (distance) C4'-P energy: -155.013 bonds (distance) P-C4' energy: -146.801 flat angles C4'-P-C4' energy: -133.262 flat angles P-C4'-P energy: -77.676 tors. eta vs tors. theta energy: -4.919 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: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3230.968101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.968101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.968101 (E_RNA) where: Base-Base interactions energy: -2236.986 where: short stacking energy: -970.236 Base-Backbone interact. energy: -5.812 local terms energy: -988.170368 where: bonds (distance) C4'-P energy: -189.096 bonds (distance) P-C4' energy: -165.480 flat angles C4'-P-C4' energy: -216.437 flat angles P-C4'-P energy: -150.106 tors. eta vs tors. theta energy: -267.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -3059.958531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.958531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.958531 (E_RNA) where: Base-Base interactions energy: -2129.761 where: short stacking energy: -912.228 Base-Backbone interact. energy: -1.407 local terms energy: -928.790244 where: bonds (distance) C4'-P energy: -176.004 bonds (distance) P-C4' energy: -174.677 flat angles C4'-P-C4' energy: -215.041 flat angles P-C4'-P energy: -116.788 tors. eta vs tors. theta energy: -246.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2956.681798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.681798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.681798 (E_RNA) where: Base-Base interactions energy: -2021.005 where: short stacking energy: -888.338 Base-Backbone interact. energy: -2.590 local terms energy: -933.086715 where: bonds (distance) C4'-P energy: -158.790 bonds (distance) P-C4' energy: -179.438 flat angles C4'-P-C4' energy: -197.984 flat angles P-C4'-P energy: -131.517 tors. eta vs tors. theta energy: -265.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2729.316537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.316537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.316537 (E_RNA) where: Base-Base interactions energy: -1855.292 where: short stacking energy: -806.000 Base-Backbone interact. energy: -5.238 local terms energy: -868.786266 where: bonds (distance) C4'-P energy: -157.162 bonds (distance) P-C4' energy: -159.249 flat angles C4'-P-C4' energy: -205.487 flat angles P-C4'-P energy: -122.420 tors. eta vs tors. theta energy: -224.467 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: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2531.087168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.087168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.087168 (E_RNA) where: Base-Base interactions energy: -1683.507 where: short stacking energy: -735.738 Base-Backbone interact. energy: 2.066 local terms energy: -849.646596 where: bonds (distance) C4'-P energy: -172.093 bonds (distance) P-C4' energy: -183.714 flat angles C4'-P-C4' energy: -190.944 flat angles P-C4'-P energy: -112.209 tors. eta vs tors. theta energy: -190.687 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: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2363.035153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.035153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.035153 (E_RNA) where: Base-Base interactions energy: -1592.109 where: short stacking energy: -684.433 Base-Backbone interact. energy: -0.465 local terms energy: -770.461290 where: bonds (distance) C4'-P energy: -163.603 bonds (distance) P-C4' energy: -173.757 flat angles C4'-P-C4' energy: -154.856 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -169.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1987.860103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.860103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.860103 (E_RNA) where: Base-Base interactions energy: -1280.549 where: short stacking energy: -600.974 Base-Backbone interact. energy: -1.989 local terms energy: -705.322435 where: bonds (distance) C4'-P energy: -162.404 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -175.536 flat angles P-C4'-P energy: -96.256 tors. eta vs tors. theta energy: -115.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1719.313518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.313518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.313518 (E_RNA) where: Base-Base interactions energy: -1104.473 where: short stacking energy: -508.021 Base-Backbone interact. energy: 2.993 local terms energy: -617.833602 where: bonds (distance) C4'-P energy: -123.458 bonds (distance) P-C4' energy: -154.359 flat angles C4'-P-C4' energy: -150.192 flat angles P-C4'-P energy: -92.451 tors. eta vs tors. theta energy: -97.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1258.935841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.935841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.935841 (E_RNA) where: Base-Base interactions energy: -718.722 where: short stacking energy: -379.487 Base-Backbone interact. energy: 2.720 local terms energy: -542.933843 where: bonds (distance) C4'-P energy: -144.549 bonds (distance) P-C4' energy: -148.889 flat angles C4'-P-C4' energy: -118.376 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: -44.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1174.066736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.066736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.066736 (E_RNA) where: Base-Base interactions energy: -681.327 where: short stacking energy: -363.444 Base-Backbone interact. energy: 0.774 local terms energy: -493.513459 where: bonds (distance) C4'-P energy: -118.740 bonds (distance) P-C4' energy: -142.822 flat angles C4'-P-C4' energy: -114.615 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -33.177 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: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3232.857735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.857735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.857735 (E_RNA) where: Base-Base interactions energy: -2214.399 where: short stacking energy: -972.545 Base-Backbone interact. energy: 0.168 local terms energy: -1018.626578 where: bonds (distance) C4'-P energy: -186.247 bonds (distance) P-C4' energy: -186.724 flat angles C4'-P-C4' energy: -217.515 flat angles P-C4'-P energy: -145.270 tors. eta vs tors. theta energy: -282.871 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -3065.712707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.712707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.712707 (E_RNA) where: Base-Base interactions energy: -2112.848 where: short stacking energy: -934.650 Base-Backbone interact. energy: -4.691 local terms energy: -948.174343 where: bonds (distance) C4'-P energy: -155.599 bonds (distance) P-C4' energy: -186.909 flat angles C4'-P-C4' energy: -214.518 flat angles P-C4'-P energy: -130.657 tors. eta vs tors. theta energy: -260.491 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: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2937.599127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.599127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.599127 (E_RNA) where: Base-Base interactions energy: -2009.080 where: short stacking energy: -886.602 Base-Backbone interact. energy: -4.689 local terms energy: -923.829972 where: bonds (distance) C4'-P energy: -181.864 bonds (distance) P-C4' energy: -166.966 flat angles C4'-P-C4' energy: -200.363 flat angles P-C4'-P energy: -110.714 tors. eta vs tors. theta energy: -263.923 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: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2757.516525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.516525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.516525 (E_RNA) where: Base-Base interactions energy: -1882.731 where: short stacking energy: -840.383 Base-Backbone interact. energy: -4.238 local terms energy: -870.547482 where: bonds (distance) C4'-P energy: -171.459 bonds (distance) P-C4' energy: -190.354 flat angles C4'-P-C4' energy: -186.358 flat angles P-C4'-P energy: -114.122 tors. eta vs tors. theta energy: -208.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2548.487240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.487240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.487240 (E_RNA) where: Base-Base interactions energy: -1744.809 where: short stacking energy: -724.245 Base-Backbone interact. energy: -3.477 local terms energy: -800.201039 where: bonds (distance) C4'-P energy: -174.520 bonds (distance) P-C4' energy: -148.045 flat angles C4'-P-C4' energy: -174.219 flat angles P-C4'-P energy: -108.131 tors. eta vs tors. theta energy: -195.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2388.231434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.231434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.231434 (E_RNA) where: Base-Base interactions energy: -1604.790 where: short stacking energy: -712.770 Base-Backbone interact. energy: -3.325 local terms energy: -780.116425 where: bonds (distance) C4'-P energy: -145.086 bonds (distance) P-C4' energy: -152.490 flat angles C4'-P-C4' energy: -178.830 flat angles P-C4'-P energy: -116.922 tors. eta vs tors. theta energy: -186.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2041.464349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.464349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.464349 (E_RNA) where: Base-Base interactions energy: -1370.959 where: short stacking energy: -626.542 Base-Backbone interact. energy: 1.317 local terms energy: -671.822329 where: bonds (distance) C4'-P energy: -154.965 bonds (distance) P-C4' energy: -131.861 flat angles C4'-P-C4' energy: -148.045 flat angles P-C4'-P energy: -88.185 tors. eta vs tors. theta energy: -148.767 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: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1696.160252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.160252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.160252 (E_RNA) where: Base-Base interactions energy: -1065.013 where: short stacking energy: -482.016 Base-Backbone interact. energy: -2.260 local terms energy: -628.887220 where: bonds (distance) C4'-P energy: -141.950 bonds (distance) P-C4' energy: -159.150 flat angles C4'-P-C4' energy: -142.947 flat angles P-C4'-P energy: -107.021 tors. eta vs tors. theta energy: -77.819 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: 2 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1369.020054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.020054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.020054 (E_RNA) where: Base-Base interactions energy: -803.584 where: short stacking energy: -389.432 Base-Backbone interact. energy: 3.524 local terms energy: -568.959700 where: bonds (distance) C4'-P energy: -127.462 bonds (distance) P-C4' energy: -169.550 flat angles C4'-P-C4' energy: -154.374 flat angles P-C4'-P energy: -75.362 tors. eta vs tors. theta energy: -42.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1196.870315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.870315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.870315 (E_RNA) where: Base-Base interactions energy: -687.654 where: short stacking energy: -331.148 Base-Backbone interact. energy: 0.217 local terms energy: -509.432434 where: bonds (distance) C4'-P energy: -133.583 bonds (distance) P-C4' energy: -161.986 flat angles C4'-P-C4' energy: -128.831 flat angles P-C4'-P energy: -62.528 tors. eta vs tors. theta energy: -22.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3207.905575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.905575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.905575 (E_RNA) where: Base-Base interactions energy: -2206.511 where: short stacking energy: -950.248 Base-Backbone interact. energy: -6.541 local terms energy: -994.853878 where: bonds (distance) C4'-P energy: -186.365 bonds (distance) P-C4' energy: -182.730 flat angles C4'-P-C4' energy: -207.159 flat angles P-C4'-P energy: -140.439 tors. eta vs tors. theta energy: -278.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -3030.953339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.953339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.953339 (E_RNA) where: Base-Base interactions energy: -2089.312 where: short stacking energy: -928.454 Base-Backbone interact. energy: -0.468 local terms energy: -941.173704 where: bonds (distance) C4'-P energy: -174.773 bonds (distance) P-C4' energy: -164.746 flat angles C4'-P-C4' energy: -212.662 flat angles P-C4'-P energy: -123.805 tors. eta vs tors. theta energy: -265.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2924.340381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.340381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.340381 (E_RNA) where: Base-Base interactions energy: -2016.769 where: short stacking energy: -820.473 Base-Backbone interact. energy: 2.229 local terms energy: -909.800467 where: bonds (distance) C4'-P energy: -155.704 bonds (distance) P-C4' energy: -178.428 flat angles C4'-P-C4' energy: -192.219 flat angles P-C4'-P energy: -139.956 tors. eta vs tors. theta energy: -243.494 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: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2802.945147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.945147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.945147 (E_RNA) where: Base-Base interactions energy: -1901.017 where: short stacking energy: -831.839 Base-Backbone interact. energy: -0.498 local terms energy: -901.430556 where: bonds (distance) C4'-P energy: -170.306 bonds (distance) P-C4' energy: -168.626 flat angles C4'-P-C4' energy: -198.496 flat angles P-C4'-P energy: -132.419 tors. eta vs tors. theta energy: -231.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2571.155709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.155709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.155709 (E_RNA) where: Base-Base interactions energy: -1762.989 where: short stacking energy: -777.959 Base-Backbone interact. energy: -1.338 local terms energy: -806.829175 where: bonds (distance) C4'-P energy: -152.551 bonds (distance) P-C4' energy: -156.512 flat angles C4'-P-C4' energy: -178.652 flat angles P-C4'-P energy: -115.342 tors. eta vs tors. theta energy: -203.773 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: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2409.096448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.096448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.096448 (E_RNA) where: Base-Base interactions energy: -1606.170 where: short stacking energy: -717.105 Base-Backbone interact. energy: -2.781 local terms energy: -800.145205 where: bonds (distance) C4'-P energy: -149.914 bonds (distance) P-C4' energy: -178.360 flat angles C4'-P-C4' energy: -177.230 flat angles P-C4'-P energy: -98.809 tors. eta vs tors. theta energy: -195.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2065.988115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.988115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.988115 (E_RNA) where: Base-Base interactions energy: -1370.098 where: short stacking energy: -578.499 Base-Backbone interact. energy: -1.505 local terms energy: -694.385082 where: bonds (distance) C4'-P energy: -157.724 bonds (distance) P-C4' energy: -166.888 flat angles C4'-P-C4' energy: -149.368 flat angles P-C4'-P energy: -98.476 tors. eta vs tors. theta energy: -121.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1804.768573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.768573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.768573 (E_RNA) where: Base-Base interactions energy: -1148.893 where: short stacking energy: -515.646 Base-Backbone interact. energy: 4.271 local terms energy: -660.147177 where: bonds (distance) C4'-P energy: -147.132 bonds (distance) P-C4' energy: -162.309 flat angles C4'-P-C4' energy: -159.237 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -106.992 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: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1274.665205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.665205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.665205 (E_RNA) where: Base-Base interactions energy: -755.270 where: short stacking energy: -379.653 Base-Backbone interact. energy: 4.617 local terms energy: -524.012162 where: bonds (distance) C4'-P energy: -129.681 bonds (distance) P-C4' energy: -158.175 flat angles C4'-P-C4' energy: -129.547 flat angles P-C4'-P energy: -70.781 tors. eta vs tors. theta energy: -35.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1011.467108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.467108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.467108 (E_RNA) where: Base-Base interactions energy: -518.396 where: short stacking energy: -278.782 Base-Backbone interact. energy: 1.071 local terms energy: -494.142296 where: bonds (distance) C4'-P energy: -157.071 bonds (distance) P-C4' energy: -123.612 flat angles C4'-P-C4' energy: -142.786 flat angles P-C4'-P energy: -78.079 tors. eta vs tors. theta energy: 7.405 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: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3210.808939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.808939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.808939 (E_RNA) where: Base-Base interactions energy: -2199.460 where: short stacking energy: -931.247 Base-Backbone interact. energy: -3.828 local terms energy: -1007.520714 where: bonds (distance) C4'-P energy: -197.327 bonds (distance) P-C4' energy: -185.941 flat angles C4'-P-C4' energy: -202.586 flat angles P-C4'-P energy: -141.846 tors. eta vs tors. theta energy: -279.820 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: 311 Temperature: 0.950000 Total energy: -3039.211844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.211844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.211844 (E_RNA) where: Base-Base interactions energy: -2075.929 where: short stacking energy: -858.835 Base-Backbone interact. energy: -5.122 local terms energy: -958.161002 where: bonds (distance) C4'-P energy: -194.023 bonds (distance) P-C4' energy: -175.038 flat angles C4'-P-C4' energy: -211.711 flat angles P-C4'-P energy: -129.139 tors. eta vs tors. theta energy: -248.250 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: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2972.380081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.380081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.380081 (E_RNA) where: Base-Base interactions energy: -2056.739 where: short stacking energy: -892.471 Base-Backbone interact. energy: -0.672 local terms energy: -914.969148 where: bonds (distance) C4'-P energy: -172.311 bonds (distance) P-C4' energy: -168.432 flat angles C4'-P-C4' energy: -204.330 flat angles P-C4'-P energy: -125.893 tors. eta vs tors. theta energy: -244.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2746.574693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.574693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.574693 (E_RNA) where: Base-Base interactions energy: -1874.841 where: short stacking energy: -830.472 Base-Backbone interact. energy: -5.366 local terms energy: -866.367346 where: bonds (distance) C4'-P energy: -179.709 bonds (distance) P-C4' energy: -156.945 flat angles C4'-P-C4' energy: -194.326 flat angles P-C4'-P energy: -114.365 tors. eta vs tors. theta energy: -221.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2600.562506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.562506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.562506 (E_RNA) where: Base-Base interactions energy: -1757.112 where: short stacking energy: -751.902 Base-Backbone interact. energy: -1.241 local terms energy: -842.209867 where: bonds (distance) C4'-P energy: -162.387 bonds (distance) P-C4' energy: -163.835 flat angles C4'-P-C4' energy: -189.472 flat angles P-C4'-P energy: -121.450 tors. eta vs tors. theta energy: -205.066 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: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2441.260352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.260352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.260352 (E_RNA) where: Base-Base interactions energy: -1630.722 where: short stacking energy: -715.233 Base-Backbone interact. energy: -5.979 local terms energy: -804.559302 where: bonds (distance) C4'-P energy: -148.481 bonds (distance) P-C4' energy: -175.597 flat angles C4'-P-C4' energy: -179.158 flat angles P-C4'-P energy: -114.624 tors. eta vs tors. theta energy: -186.700 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: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2056.661652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.661652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.661652 (E_RNA) where: Base-Base interactions energy: -1346.350 where: short stacking energy: -616.608 Base-Backbone interact. energy: -0.062 local terms energy: -710.249677 where: bonds (distance) C4'-P energy: -121.581 bonds (distance) P-C4' energy: -161.241 flat angles C4'-P-C4' energy: -169.787 flat angles P-C4'-P energy: -119.806 tors. eta vs tors. theta energy: -137.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1867.662947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.662947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.662947 (E_RNA) where: Base-Base interactions energy: -1202.435 where: short stacking energy: -533.734 Base-Backbone interact. energy: 1.343 local terms energy: -666.571120 where: bonds (distance) C4'-P energy: -133.973 bonds (distance) P-C4' energy: -151.088 flat angles C4'-P-C4' energy: -167.602 flat angles P-C4'-P energy: -105.491 tors. eta vs tors. theta energy: -108.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1217.993149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.993149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.993149 (E_RNA) where: Base-Base interactions energy: -688.526 where: short stacking energy: -343.539 Base-Backbone interact. energy: 4.191 local terms energy: -533.658713 where: bonds (distance) C4'-P energy: -142.527 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -142.166 flat angles P-C4'-P energy: -82.267 tors. eta vs tors. theta energy: -17.642 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: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -982.575790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.575790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.575790 (E_RNA) where: Base-Base interactions energy: -490.829 where: short stacking energy: -271.971 Base-Backbone interact. energy: 5.882 local terms energy: -497.628147 where: bonds (distance) C4'-P energy: -150.525 bonds (distance) P-C4' energy: -146.588 flat angles C4'-P-C4' energy: -120.678 flat angles P-C4'-P energy: -95.960 tors. eta vs tors. theta energy: 16.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3212.811217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.811217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.811217 (E_RNA) where: Base-Base interactions energy: -2230.844 where: short stacking energy: -945.892 Base-Backbone interact. energy: -2.530 local terms energy: -979.437267 where: bonds (distance) C4'-P energy: -161.336 bonds (distance) P-C4' energy: -193.815 flat angles C4'-P-C4' energy: -210.549 flat angles P-C4'-P energy: -142.001 tors. eta vs tors. theta energy: -271.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -3094.769121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.769121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.769121 (E_RNA) where: Base-Base interactions energy: -2145.709 where: short stacking energy: -921.780 Base-Backbone interact. energy: -1.938 local terms energy: -947.122196 where: bonds (distance) C4'-P energy: -169.408 bonds (distance) P-C4' energy: -181.601 flat angles C4'-P-C4' energy: -212.137 flat angles P-C4'-P energy: -127.738 tors. eta vs tors. theta energy: -256.238 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: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2933.987286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.987286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.987286 (E_RNA) where: Base-Base interactions energy: -2058.936 where: short stacking energy: -889.513 Base-Backbone interact. energy: 13.923 local terms energy: -888.974419 where: bonds (distance) C4'-P energy: -154.160 bonds (distance) P-C4' energy: -171.803 flat angles C4'-P-C4' energy: -192.142 flat angles P-C4'-P energy: -135.322 tors. eta vs tors. theta energy: -235.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2779.474831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.474831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.474831 (E_RNA) where: Base-Base interactions energy: -1902.760 where: short stacking energy: -836.036 Base-Backbone interact. energy: 4.725 local terms energy: -881.439653 where: bonds (distance) C4'-P energy: -154.459 bonds (distance) P-C4' energy: -179.969 flat angles C4'-P-C4' energy: -184.945 flat angles P-C4'-P energy: -130.494 tors. eta vs tors. theta energy: -231.574 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: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2499.589417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.589417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.589417 (E_RNA) where: Base-Base interactions energy: -1706.350 where: short stacking energy: -712.734 Base-Backbone interact. energy: -4.321 local terms energy: -788.918426 where: bonds (distance) C4'-P energy: -148.562 bonds (distance) P-C4' energy: -171.637 flat angles C4'-P-C4' energy: -185.351 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -171.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2399.476414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.476414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.476414 (E_RNA) where: Base-Base interactions energy: -1625.186 where: short stacking energy: -725.987 Base-Backbone interact. energy: -3.925 local terms energy: -770.364862 where: bonds (distance) C4'-P energy: -161.177 bonds (distance) P-C4' energy: -151.030 flat angles C4'-P-C4' energy: -173.747 flat angles P-C4'-P energy: -102.602 tors. eta vs tors. theta energy: -181.809 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: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2005.822249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.822249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.822249 (E_RNA) where: Base-Base interactions energy: -1332.974 where: short stacking energy: -588.469 Base-Backbone interact. energy: -2.922 local terms energy: -669.926407 where: bonds (distance) C4'-P energy: -156.061 bonds (distance) P-C4' energy: -162.635 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -96.519 tors. eta vs tors. theta energy: -116.327 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: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1874.405802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.405802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.405802 (E_RNA) where: Base-Base interactions energy: -1242.521 where: short stacking energy: -535.696 Base-Backbone interact. energy: 2.777 local terms energy: -634.662504 where: bonds (distance) C4'-P energy: -131.520 bonds (distance) P-C4' energy: -156.458 flat angles C4'-P-C4' energy: -164.823 flat angles P-C4'-P energy: -84.755 tors. eta vs tors. theta energy: -97.107 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: 9, replica: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1254.141526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.141526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.141526 (E_RNA) where: Base-Base interactions energy: -724.292 where: short stacking energy: -372.067 Base-Backbone interact. energy: 2.486 local terms energy: -532.335342 where: bonds (distance) C4'-P energy: -155.784 bonds (distance) P-C4' energy: -146.470 flat angles C4'-P-C4' energy: -129.029 flat angles P-C4'-P energy: -85.953 tors. eta vs tors. theta energy: -15.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -981.862212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.862212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.862212 (E_RNA) where: Base-Base interactions energy: -510.364 where: short stacking energy: -280.363 Base-Backbone interact. energy: -0.528 local terms energy: -470.970121 where: bonds (distance) C4'-P energy: -154.182 bonds (distance) P-C4' energy: -132.782 flat angles C4'-P-C4' energy: -111.840 flat angles P-C4'-P energy: -70.750 tors. eta vs tors. theta energy: -1.417 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: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3192.401751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.401751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.401751 (E_RNA) where: Base-Base interactions energy: -2207.957 where: short stacking energy: -945.176 Base-Backbone interact. energy: -10.223 local terms energy: -974.221745 where: bonds (distance) C4'-P energy: -178.945 bonds (distance) P-C4' energy: -195.974 flat angles C4'-P-C4' energy: -210.071 flat angles P-C4'-P energy: -123.570 tors. eta vs tors. theta energy: -265.662 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: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -3113.098938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.098938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.098938 (E_RNA) where: Base-Base interactions energy: -2167.323 where: short stacking energy: -911.494 Base-Backbone interact. energy: -6.442 local terms energy: -939.333910 where: bonds (distance) C4'-P energy: -167.699 bonds (distance) P-C4' energy: -174.067 flat angles C4'-P-C4' energy: -207.300 flat angles P-C4'-P energy: -136.836 tors. eta vs tors. theta energy: -253.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2984.880557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.880557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.880557 (E_RNA) where: Base-Base interactions energy: -2054.918 where: short stacking energy: -878.990 Base-Backbone interact. energy: -0.961 local terms energy: -929.001515 where: bonds (distance) C4'-P energy: -165.499 bonds (distance) P-C4' energy: -176.598 flat angles C4'-P-C4' energy: -199.483 flat angles P-C4'-P energy: -124.676 tors. eta vs tors. theta energy: -262.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2793.800763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.800763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.800763 (E_RNA) where: Base-Base interactions energy: -1904.454 where: short stacking energy: -812.021 Base-Backbone interact. energy: 1.278 local terms energy: -890.624709 where: bonds (distance) C4'-P energy: -165.169 bonds (distance) P-C4' energy: -170.674 flat angles C4'-P-C4' energy: -202.160 flat angles P-C4'-P energy: -123.930 tors. eta vs tors. theta energy: -228.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2509.505437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.505437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.505437 (E_RNA) where: Base-Base interactions energy: -1691.292 where: short stacking energy: -754.777 Base-Backbone interact. energy: 0.009 local terms energy: -818.222637 where: bonds (distance) C4'-P energy: -143.304 bonds (distance) P-C4' energy: -156.089 flat angles C4'-P-C4' energy: -205.340 flat angles P-C4'-P energy: -123.898 tors. eta vs tors. theta energy: -189.591 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: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2426.072819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.072819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.072819 (E_RNA) where: Base-Base interactions energy: -1621.235 where: short stacking energy: -724.791 Base-Backbone interact. energy: 1.665 local terms energy: -806.502866 where: bonds (distance) C4'-P energy: -149.326 bonds (distance) P-C4' energy: -165.613 flat angles C4'-P-C4' energy: -197.069 flat angles P-C4'-P energy: -108.552 tors. eta vs tors. theta energy: -185.943 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: 313 Temperature: 1.200000 Total energy: -2044.856031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.856031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.856031 (E_RNA) where: Base-Base interactions energy: -1360.636 where: short stacking energy: -622.860 Base-Backbone interact. energy: 2.518 local terms energy: -686.738079 where: bonds (distance) C4'-P energy: -148.670 bonds (distance) P-C4' energy: -152.799 flat angles C4'-P-C4' energy: -164.265 flat angles P-C4'-P energy: -78.777 tors. eta vs tors. theta energy: -142.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1802.558041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.558041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.558041 (E_RNA) where: Base-Base interactions energy: -1180.212 where: short stacking energy: -509.670 Base-Backbone interact. energy: 1.003 local terms energy: -623.348075 where: bonds (distance) C4'-P energy: -153.280 bonds (distance) P-C4' energy: -160.882 flat angles C4'-P-C4' energy: -144.213 flat angles P-C4'-P energy: -84.848 tors. eta vs tors. theta energy: -80.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1249.915932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.915932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.915932 (E_RNA) where: Base-Base interactions energy: -733.477 where: short stacking energy: -366.174 Base-Backbone interact. energy: 0.994 local terms energy: -517.432627 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -143.667 flat angles C4'-P-C4' energy: -118.549 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -27.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -962.022037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.022037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.022037 (E_RNA) where: Base-Base interactions energy: -485.411 where: short stacking energy: -256.962 Base-Backbone interact. energy: 15.053 local terms energy: -491.664233 where: bonds (distance) C4'-P energy: -127.827 bonds (distance) P-C4' energy: -153.405 flat angles C4'-P-C4' energy: -125.835 flat angles P-C4'-P energy: -76.775 tors. eta vs tors. theta energy: -7.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3201.453881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.453881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.453881 (E_RNA) where: Base-Base interactions energy: -2196.560 where: short stacking energy: -955.114 Base-Backbone interact. energy: -3.082 local terms energy: -1001.812430 where: bonds (distance) C4'-P energy: -179.268 bonds (distance) P-C4' energy: -196.851 flat angles C4'-P-C4' energy: -204.512 flat angles P-C4'-P energy: -151.590 tors. eta vs tors. theta energy: -269.591 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: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3076.277288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.277288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.277288 (E_RNA) where: Base-Base interactions energy: -2128.168 where: short stacking energy: -906.637 Base-Backbone interact. energy: -1.160 local terms energy: -946.949126 where: bonds (distance) C4'-P energy: -166.476 bonds (distance) P-C4' energy: -183.309 flat angles C4'-P-C4' energy: -202.219 flat angles P-C4'-P energy: -144.812 tors. eta vs tors. theta energy: -250.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2957.539620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.539620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.539620 (E_RNA) where: Base-Base interactions energy: -2045.490 where: short stacking energy: -877.562 Base-Backbone interact. energy: -1.268 local terms energy: -910.781023 where: bonds (distance) C4'-P energy: -178.526 bonds (distance) P-C4' energy: -181.389 flat angles C4'-P-C4' energy: -187.824 flat angles P-C4'-P energy: -121.091 tors. eta vs tors. theta energy: -241.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2803.790749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.790749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.790749 (E_RNA) where: Base-Base interactions energy: -1944.880 where: short stacking energy: -838.399 Base-Backbone interact. energy: -3.973 local terms energy: -854.938640 where: bonds (distance) C4'-P energy: -161.646 bonds (distance) P-C4' energy: -162.622 flat angles C4'-P-C4' energy: -177.117 flat angles P-C4'-P energy: -124.756 tors. eta vs tors. theta energy: -228.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2471.584553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.584553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.584553 (E_RNA) where: Base-Base interactions energy: -1654.655 where: short stacking energy: -697.244 Base-Backbone interact. energy: 2.445 local terms energy: -819.374570 where: bonds (distance) C4'-P energy: -152.503 bonds (distance) P-C4' energy: -178.204 flat angles C4'-P-C4' energy: -184.101 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -186.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2472.220231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.220231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.220231 (E_RNA) where: Base-Base interactions energy: -1663.434 where: short stacking energy: -752.544 Base-Backbone interact. energy: 3.382 local terms energy: -812.168001 where: bonds (distance) C4'-P energy: -159.258 bonds (distance) P-C4' energy: -158.616 flat angles C4'-P-C4' energy: -180.393 flat angles P-C4'-P energy: -112.116 tors. eta vs tors. theta energy: -201.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2209.864853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.864853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.864853 (E_RNA) where: Base-Base interactions energy: -1465.323 where: short stacking energy: -651.311 Base-Backbone interact. energy: 2.518 local terms energy: -747.060062 where: bonds (distance) C4'-P energy: -163.352 bonds (distance) P-C4' energy: -164.299 flat angles C4'-P-C4' energy: -176.346 flat angles P-C4'-P energy: -95.466 tors. eta vs tors. theta energy: -147.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1763.775181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.775181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.775181 (E_RNA) where: Base-Base interactions energy: -1131.831 where: short stacking energy: -505.924 Base-Backbone interact. energy: -1.968 local terms energy: -629.975302 where: bonds (distance) C4'-P energy: -159.638 bonds (distance) P-C4' energy: -139.835 flat angles C4'-P-C4' energy: -156.861 flat angles P-C4'-P energy: -87.290 tors. eta vs tors. theta energy: -86.352 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1368.824813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.824813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.824813 (E_RNA) where: Base-Base interactions energy: -799.334 where: short stacking energy: -372.612 Base-Backbone interact. energy: -1.424 local terms energy: -568.066929 where: bonds (distance) C4'-P energy: -130.689 bonds (distance) P-C4' energy: -152.144 flat angles C4'-P-C4' energy: -146.766 flat angles P-C4'-P energy: -91.970 tors. eta vs tors. theta energy: -46.498 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: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -961.565946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.565946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.565946 (E_RNA) where: Base-Base interactions energy: -494.428 where: short stacking energy: -285.547 Base-Backbone interact. energy: 4.861 local terms energy: -471.999445 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -173.687 flat angles C4'-P-C4' energy: -129.795 flat angles P-C4'-P energy: -73.768 tors. eta vs tors. theta energy: 19.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3224.077255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.077255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.077255 (E_RNA) where: Base-Base interactions energy: -2223.114 where: short stacking energy: -957.733 Base-Backbone interact. energy: -9.121 local terms energy: -991.841692 where: bonds (distance) C4'-P energy: -189.727 bonds (distance) P-C4' energy: -190.156 flat angles C4'-P-C4' energy: -200.252 flat angles P-C4'-P energy: -140.946 tors. eta vs tors. theta energy: -270.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -3030.151150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.151150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.151150 (E_RNA) where: Base-Base interactions energy: -2087.856 where: short stacking energy: -886.174 Base-Backbone interact. energy: -8.172 local terms energy: -934.122920 where: bonds (distance) C4'-P energy: -183.271 bonds (distance) P-C4' energy: -169.577 flat angles C4'-P-C4' energy: -198.455 flat angles P-C4'-P energy: -139.649 tors. eta vs tors. theta energy: -243.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2964.826565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.826565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.826565 (E_RNA) where: Base-Base interactions energy: -2033.741 where: short stacking energy: -858.188 Base-Backbone interact. energy: -3.721 local terms energy: -927.364314 where: bonds (distance) C4'-P energy: -174.405 bonds (distance) P-C4' energy: -176.368 flat angles C4'-P-C4' energy: -207.108 flat angles P-C4'-P energy: -127.662 tors. eta vs tors. theta energy: -241.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2793.066012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.066012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.066012 (E_RNA) where: Base-Base interactions energy: -1939.822 where: short stacking energy: -838.791 Base-Backbone interact. energy: 3.542 local terms energy: -856.786027 where: bonds (distance) C4'-P energy: -161.379 bonds (distance) P-C4' energy: -173.870 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -123.597 tors. eta vs tors. theta energy: -218.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2455.133262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.133262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.133262 (E_RNA) where: Base-Base interactions energy: -1655.962 where: short stacking energy: -721.801 Base-Backbone interact. energy: 0.178 local terms energy: -799.349005 where: bonds (distance) C4'-P energy: -164.190 bonds (distance) P-C4' energy: -158.989 flat angles C4'-P-C4' energy: -195.040 flat angles P-C4'-P energy: -107.594 tors. eta vs tors. theta energy: -173.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2443.116095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.116095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.116095 (E_RNA) where: Base-Base interactions energy: -1651.905 where: short stacking energy: -736.487 Base-Backbone interact. energy: -2.604 local terms energy: -788.607348 where: bonds (distance) C4'-P energy: -161.291 bonds (distance) P-C4' energy: -163.328 flat angles C4'-P-C4' energy: -171.130 flat angles P-C4'-P energy: -110.667 tors. eta vs tors. theta energy: -182.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2111.005570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.005570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.005570 (E_RNA) where: Base-Base interactions energy: -1408.370 where: short stacking energy: -616.693 Base-Backbone interact. energy: 0.611 local terms energy: -703.247178 where: bonds (distance) C4'-P energy: -137.019 bonds (distance) P-C4' energy: -157.951 flat angles C4'-P-C4' energy: -165.507 flat angles P-C4'-P energy: -118.564 tors. eta vs tors. theta energy: -124.206 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: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1753.004161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.004161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.004161 (E_RNA) where: Base-Base interactions energy: -1125.702 where: short stacking energy: -512.824 Base-Backbone interact. energy: -1.954 local terms energy: -625.348317 where: bonds (distance) C4'-P energy: -133.177 bonds (distance) P-C4' energy: -149.164 flat angles C4'-P-C4' energy: -159.921 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: -104.578 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: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1355.848574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.848574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.848574 (E_RNA) where: Base-Base interactions energy: -802.197 where: short stacking energy: -392.256 Base-Backbone interact. energy: -4.722 local terms energy: -548.929541 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -139.707 flat angles C4'-P-C4' energy: -158.007 flat angles P-C4'-P energy: -83.398 tors. eta vs tors. theta energy: -30.188 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: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -951.846418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.846418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.846418 (E_RNA) where: Base-Base interactions energy: -487.057 where: short stacking energy: -275.541 Base-Backbone interact. energy: 0.199 local terms energy: -464.987684 where: bonds (distance) C4'-P energy: -118.064 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -129.531 flat angles P-C4'-P energy: -89.740 tors. eta vs tors. theta energy: 17.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3221.270867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.270867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.270867 (E_RNA) where: Base-Base interactions energy: -2219.369 where: short stacking energy: -954.326 Base-Backbone interact. energy: -4.942 local terms energy: -996.959749 where: bonds (distance) C4'-P energy: -179.133 bonds (distance) P-C4' energy: -172.840 flat angles C4'-P-C4' energy: -217.105 flat angles P-C4'-P energy: -152.616 tors. eta vs tors. theta energy: -275.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3036.354250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.354250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.354250 (E_RNA) where: Base-Base interactions energy: -2068.099 where: short stacking energy: -896.694 Base-Backbone interact. energy: -4.666 local terms energy: -963.589034 where: bonds (distance) C4'-P energy: -184.212 bonds (distance) P-C4' energy: -184.054 flat angles C4'-P-C4' energy: -205.171 flat angles P-C4'-P energy: -130.496 tors. eta vs tors. theta energy: -259.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2939.345770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.345770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.345770 (E_RNA) where: Base-Base interactions energy: -2029.147 where: short stacking energy: -916.987 Base-Backbone interact. energy: 3.012 local terms energy: -913.210501 where: bonds (distance) C4'-P energy: -165.540 bonds (distance) P-C4' energy: -181.011 flat angles C4'-P-C4' energy: -199.913 flat angles P-C4'-P energy: -122.510 tors. eta vs tors. theta energy: -244.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2802.695724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.695724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.695724 (E_RNA) where: Base-Base interactions energy: -1894.013 where: short stacking energy: -839.737 Base-Backbone interact. energy: 1.056 local terms energy: -909.738095 where: bonds (distance) C4'-P energy: -182.274 bonds (distance) P-C4' energy: -168.351 flat angles C4'-P-C4' energy: -191.409 flat angles P-C4'-P energy: -120.217 tors. eta vs tors. theta energy: -247.487 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2492.250921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.250921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.250921 (E_RNA) where: Base-Base interactions energy: -1691.960 where: short stacking energy: -729.211 Base-Backbone interact. energy: -4.839 local terms energy: -795.452006 where: bonds (distance) C4'-P energy: -162.238 bonds (distance) P-C4' energy: -165.725 flat angles C4'-P-C4' energy: -162.444 flat angles P-C4'-P energy: -116.247 tors. eta vs tors. theta energy: -188.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2376.454769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.454769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.454769 (E_RNA) where: Base-Base interactions energy: -1586.074 where: short stacking energy: -678.462 Base-Backbone interact. energy: -0.069 local terms energy: -790.311773 where: bonds (distance) C4'-P energy: -157.630 bonds (distance) P-C4' energy: -174.711 flat angles C4'-P-C4' energy: -170.365 flat angles P-C4'-P energy: -120.757 tors. eta vs tors. theta energy: -166.849 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: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2040.997344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.997344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.997344 (E_RNA) where: Base-Base interactions energy: -1284.964 where: short stacking energy: -623.160 Base-Backbone interact. energy: -3.690 local terms energy: -752.342565 where: bonds (distance) C4'-P energy: -167.584 bonds (distance) P-C4' energy: -158.503 flat angles C4'-P-C4' energy: -165.808 flat angles P-C4'-P energy: -118.530 tors. eta vs tors. theta energy: -141.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1930.632811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.632811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.632811 (E_RNA) where: Base-Base interactions energy: -1256.051 where: short stacking energy: -545.607 Base-Backbone interact. energy: -2.185 local terms energy: -672.396479 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -151.848 flat angles C4'-P-C4' energy: -157.662 flat angles P-C4'-P energy: -108.138 tors. eta vs tors. theta energy: -109.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1366.114850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.114850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.114850 (E_RNA) where: Base-Base interactions energy: -839.826 where: short stacking energy: -402.027 Base-Backbone interact. energy: -2.680 local terms energy: -523.608936 where: bonds (distance) C4'-P energy: -126.359 bonds (distance) P-C4' energy: -138.884 flat angles C4'-P-C4' energy: -130.983 flat angles P-C4'-P energy: -92.485 tors. eta vs tors. theta energy: -34.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1002.721590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.721590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.721590 (E_RNA) where: Base-Base interactions energy: -524.029 where: short stacking energy: -301.989 Base-Backbone interact. energy: -6.581 local terms energy: -472.111523 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -121.626 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: -3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3240.178879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.178879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.178879 (E_RNA) where: Base-Base interactions energy: -2244.460 where: short stacking energy: -958.709 Base-Backbone interact. energy: -8.045 local terms energy: -987.673765 where: bonds (distance) C4'-P energy: -173.123 bonds (distance) P-C4' energy: -185.672 flat angles C4'-P-C4' energy: -203.273 flat angles P-C4'-P energy: -146.119 tors. eta vs tors. theta energy: -279.487 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: 2, replica: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3066.248162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.248162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.248162 (E_RNA) where: Base-Base interactions energy: -2103.915 where: short stacking energy: -878.812 Base-Backbone interact. energy: -5.232 local terms energy: -957.101216 where: bonds (distance) C4'-P energy: -189.525 bonds (distance) P-C4' energy: -180.239 flat angles C4'-P-C4' energy: -199.392 flat angles P-C4'-P energy: -129.186 tors. eta vs tors. theta energy: -258.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2931.804082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.804082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.804082 (E_RNA) where: Base-Base interactions energy: -2000.904 where: short stacking energy: -870.436 Base-Backbone interact. energy: -2.610 local terms energy: -928.290256 where: bonds (distance) C4'-P energy: -167.132 bonds (distance) P-C4' energy: -165.281 flat angles C4'-P-C4' energy: -194.601 flat angles P-C4'-P energy: -149.116 tors. eta vs tors. theta energy: -252.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2802.086467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.086467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.086467 (E_RNA) where: Base-Base interactions energy: -1923.979 where: short stacking energy: -861.802 Base-Backbone interact. energy: -3.493 local terms energy: -874.614272 where: bonds (distance) C4'-P energy: -164.411 bonds (distance) P-C4' energy: -173.320 flat angles C4'-P-C4' energy: -172.811 flat angles P-C4'-P energy: -127.566 tors. eta vs tors. theta energy: -236.508 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: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2585.861703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.861703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.861703 (E_RNA) where: Base-Base interactions energy: -1771.367 where: short stacking energy: -813.356 Base-Backbone interact. energy: -6.212 local terms energy: -808.282578 where: bonds (distance) C4'-P energy: -163.610 bonds (distance) P-C4' energy: -162.899 flat angles C4'-P-C4' energy: -181.264 flat angles P-C4'-P energy: -104.453 tors. eta vs tors. theta energy: -196.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2365.714732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.714732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.714732 (E_RNA) where: Base-Base interactions energy: -1592.229 where: short stacking energy: -676.989 Base-Backbone interact. energy: 0.294 local terms energy: -773.779349 where: bonds (distance) C4'-P energy: -162.828 bonds (distance) P-C4' energy: -169.749 flat angles C4'-P-C4' energy: -173.837 flat angles P-C4'-P energy: -106.179 tors. eta vs tors. theta energy: -161.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2037.046630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.046630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.046630 (E_RNA) where: Base-Base interactions energy: -1330.254 where: short stacking energy: -625.890 Base-Backbone interact. energy: -4.000 local terms energy: -702.792506 where: bonds (distance) C4'-P energy: -136.762 bonds (distance) P-C4' energy: -158.260 flat angles C4'-P-C4' energy: -159.460 flat angles P-C4'-P energy: -107.133 tors. eta vs tors. theta energy: -141.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1891.921767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.921767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.921767 (E_RNA) where: Base-Base interactions energy: -1288.191 where: short stacking energy: -554.300 Base-Backbone interact. energy: -2.065 local terms energy: -601.666288 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -174.209 flat angles C4'-P-C4' energy: -125.781 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -95.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1419.162067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.162067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.162067 (E_RNA) where: Base-Base interactions energy: -873.722 where: short stacking energy: -427.736 Base-Backbone interact. energy: 0.760 local terms energy: -546.200295 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -148.529 flat angles C4'-P-C4' energy: -126.406 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -56.891 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: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -943.351379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.351379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.351379 (E_RNA) where: Base-Base interactions energy: -444.246 where: short stacking energy: -278.379 Base-Backbone interact. energy: 0.211 local terms energy: -499.316207 where: bonds (distance) C4'-P energy: -156.872 bonds (distance) P-C4' energy: -161.956 flat angles C4'-P-C4' energy: -126.822 flat angles P-C4'-P energy: -77.603 tors. eta vs tors. theta energy: 23.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3215.749349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.749349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.749349 (E_RNA) where: Base-Base interactions energy: -2234.908 where: short stacking energy: -948.702 Base-Backbone interact. energy: -6.218 local terms energy: -974.622960 where: bonds (distance) C4'-P energy: -165.977 bonds (distance) P-C4' energy: -167.926 flat angles C4'-P-C4' energy: -207.469 flat angles P-C4'-P energy: -153.011 tors. eta vs tors. theta energy: -280.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3059.605294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.605294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.605294 (E_RNA) where: Base-Base interactions energy: -2095.138 where: short stacking energy: -893.084 Base-Backbone interact. energy: -2.331 local terms energy: -962.135694 where: bonds (distance) C4'-P energy: -174.057 bonds (distance) P-C4' energy: -163.377 flat angles C4'-P-C4' energy: -219.217 flat angles P-C4'-P energy: -137.164 tors. eta vs tors. theta energy: -268.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2949.964819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.964819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.964819 (E_RNA) where: Base-Base interactions energy: -2058.382 where: short stacking energy: -888.479 Base-Backbone interact. energy: -3.734 local terms energy: -887.847943 where: bonds (distance) C4'-P energy: -164.120 bonds (distance) P-C4' energy: -169.586 flat angles C4'-P-C4' energy: -185.479 flat angles P-C4'-P energy: -124.947 tors. eta vs tors. theta energy: -243.716 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: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2767.644830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.644830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.644830 (E_RNA) where: Base-Base interactions energy: -1888.150 where: short stacking energy: -842.243 Base-Backbone interact. energy: -5.867 local terms energy: -873.627218 where: bonds (distance) C4'-P energy: -170.855 bonds (distance) P-C4' energy: -159.997 flat angles C4'-P-C4' energy: -181.106 flat angles P-C4'-P energy: -128.685 tors. eta vs tors. theta energy: -232.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2575.259333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.259333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.259333 (E_RNA) where: Base-Base interactions energy: -1755.505 where: short stacking energy: -748.501 Base-Backbone interact. energy: -0.111 local terms energy: -819.642866 where: bonds (distance) C4'-P energy: -158.167 bonds (distance) P-C4' energy: -170.220 flat angles C4'-P-C4' energy: -179.037 flat angles P-C4'-P energy: -108.156 tors. eta vs tors. theta energy: -204.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2319.777784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.777784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.777784 (E_RNA) where: Base-Base interactions energy: -1555.585 where: short stacking energy: -668.577 Base-Backbone interact. energy: 1.713 local terms energy: -765.905381 where: bonds (distance) C4'-P energy: -159.268 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -188.936 flat angles P-C4'-P energy: -105.302 tors. eta vs tors. theta energy: -166.973 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: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2013.679378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.679378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.679378 (E_RNA) where: Base-Base interactions energy: -1321.075 where: short stacking energy: -574.679 Base-Backbone interact. energy: 5.229 local terms energy: -697.833399 where: bonds (distance) C4'-P energy: -153.013 bonds (distance) P-C4' energy: -156.326 flat angles C4'-P-C4' energy: -180.084 flat angles P-C4'-P energy: -90.622 tors. eta vs tors. theta energy: -117.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1790.999887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.999887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.999887 (E_RNA) where: Base-Base interactions energy: -1146.178 where: short stacking energy: -512.732 Base-Backbone interact. energy: -1.180 local terms energy: -643.642179 where: bonds (distance) C4'-P energy: -137.020 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -143.899 flat angles P-C4'-P energy: -115.565 tors. eta vs tors. theta energy: -103.218 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: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1375.186053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.186053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.186053 (E_RNA) where: Base-Base interactions energy: -832.241 where: short stacking energy: -385.018 Base-Backbone interact. energy: -0.925 local terms energy: -542.019702 where: bonds (distance) C4'-P energy: -142.951 bonds (distance) P-C4' energy: -175.971 flat angles C4'-P-C4' energy: -123.261 flat angles P-C4'-P energy: -78.904 tors. eta vs tors. theta energy: -20.933 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: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -915.708959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.708959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.708959 (E_RNA) where: Base-Base interactions energy: -480.325 where: short stacking energy: -274.438 Base-Backbone interact. energy: 2.037 local terms energy: -437.420750 where: bonds (distance) C4'-P energy: -141.735 bonds (distance) P-C4' energy: -145.950 flat angles C4'-P-C4' energy: -111.010 flat angles P-C4'-P energy: -59.271 tors. eta vs tors. theta energy: 20.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3221.005464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.005464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.005464 (E_RNA) where: Base-Base interactions energy: -2231.726 where: short stacking energy: -956.149 Base-Backbone interact. energy: -1.578 local terms energy: -987.701831 where: bonds (distance) C4'-P energy: -171.737 bonds (distance) P-C4' energy: -198.278 flat angles C4'-P-C4' energy: -210.860 flat angles P-C4'-P energy: -146.851 tors. eta vs tors. theta energy: -259.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -3012.550290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.550290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.550290 (E_RNA) where: Base-Base interactions energy: -2104.495 where: short stacking energy: -892.429 Base-Backbone interact. energy: -2.831 local terms energy: -905.224110 where: bonds (distance) C4'-P energy: -150.681 bonds (distance) P-C4' energy: -188.895 flat angles C4'-P-C4' energy: -200.429 flat angles P-C4'-P energy: -119.646 tors. eta vs tors. theta energy: -245.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -3001.931552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.931552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.931552 (E_RNA) where: Base-Base interactions energy: -2086.445 where: short stacking energy: -895.501 Base-Backbone interact. energy: -3.613 local terms energy: -911.873767 where: bonds (distance) C4'-P energy: -157.442 bonds (distance) P-C4' energy: -171.724 flat angles C4'-P-C4' energy: -196.012 flat angles P-C4'-P energy: -136.112 tors. eta vs tors. theta energy: -250.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2758.067089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.067089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.067089 (E_RNA) where: Base-Base interactions energy: -1902.362 where: short stacking energy: -808.739 Base-Backbone interact. energy: -2.432 local terms energy: -853.273067 where: bonds (distance) C4'-P energy: -153.786 bonds (distance) P-C4' energy: -161.729 flat angles C4'-P-C4' energy: -196.793 flat angles P-C4'-P energy: -123.387 tors. eta vs tors. theta energy: -217.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2574.805582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.805582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.805582 (E_RNA) where: Base-Base interactions energy: -1757.324 where: short stacking energy: -770.172 Base-Backbone interact. energy: -1.568 local terms energy: -815.913382 where: bonds (distance) C4'-P energy: -155.913 bonds (distance) P-C4' energy: -149.661 flat angles C4'-P-C4' energy: -177.392 flat angles P-C4'-P energy: -135.605 tors. eta vs tors. theta energy: -197.344 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: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2313.598424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.598424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.598424 (E_RNA) where: Base-Base interactions energy: -1562.442 where: short stacking energy: -687.304 Base-Backbone interact. energy: -2.150 local terms energy: -749.005791 where: bonds (distance) C4'-P energy: -145.437 bonds (distance) P-C4' energy: -168.995 flat angles C4'-P-C4' energy: -171.861 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -165.623 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: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1959.512235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.512235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.512235 (E_RNA) where: Base-Base interactions energy: -1327.348 where: short stacking energy: -578.612 Base-Backbone interact. energy: 1.853 local terms energy: -634.016868 where: bonds (distance) C4'-P energy: -157.320 bonds (distance) P-C4' energy: -141.389 flat angles C4'-P-C4' energy: -153.268 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: -106.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1912.042434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.042434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.042434 (E_RNA) where: Base-Base interactions energy: -1226.700 where: short stacking energy: -526.363 Base-Backbone interact. energy: -0.612 local terms energy: -684.730120 where: bonds (distance) C4'-P energy: -146.079 bonds (distance) P-C4' energy: -158.885 flat angles C4'-P-C4' energy: -155.856 flat angles P-C4'-P energy: -104.216 tors. eta vs tors. theta energy: -119.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1393.119710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.119710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.119710 (E_RNA) where: Base-Base interactions energy: -814.148 where: short stacking energy: -408.906 Base-Backbone interact. energy: -2.452 local terms energy: -576.519475 where: bonds (distance) C4'-P energy: -149.293 bonds (distance) P-C4' energy: -164.449 flat angles C4'-P-C4' energy: -129.287 flat angles P-C4'-P energy: -88.586 tors. eta vs tors. theta energy: -44.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -879.751264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.751264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.751264 (E_RNA) where: Base-Base interactions energy: -426.129 where: short stacking energy: -269.430 Base-Backbone interact. energy: 1.791 local terms energy: -455.413583 where: bonds (distance) C4'-P energy: -128.924 bonds (distance) P-C4' energy: -161.314 flat angles C4'-P-C4' energy: -102.906 flat angles P-C4'-P energy: -95.707 tors. eta vs tors. theta energy: 33.438 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: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3222.077970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.077970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.077970 (E_RNA) where: Base-Base interactions energy: -2220.035 where: short stacking energy: -948.485 Base-Backbone interact. energy: -7.403 local terms energy: -994.640271 where: bonds (distance) C4'-P energy: -181.900 bonds (distance) P-C4' energy: -186.723 flat angles C4'-P-C4' energy: -199.625 flat angles P-C4'-P energy: -151.926 tors. eta vs tors. theta energy: -274.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -3019.279521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.279521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.279521 (E_RNA) where: Base-Base interactions energy: -2083.329 where: short stacking energy: -897.436 Base-Backbone interact. energy: -4.050 local terms energy: -931.900612 where: bonds (distance) C4'-P energy: -189.916 bonds (distance) P-C4' energy: -172.817 flat angles C4'-P-C4' energy: -193.735 flat angles P-C4'-P energy: -129.671 tors. eta vs tors. theta energy: -245.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2969.241582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.241582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.241582 (E_RNA) where: Base-Base interactions energy: -2010.895 where: short stacking energy: -886.833 Base-Backbone interact. energy: -3.116 local terms energy: -955.230494 where: bonds (distance) C4'-P energy: -178.639 bonds (distance) P-C4' energy: -177.419 flat angles C4'-P-C4' energy: -194.087 flat angles P-C4'-P energy: -138.324 tors. eta vs tors. theta energy: -266.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2766.705342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.705342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.705342 (E_RNA) where: Base-Base interactions energy: -1888.347 where: short stacking energy: -790.814 Base-Backbone interact. energy: -4.739 local terms energy: -873.620201 where: bonds (distance) C4'-P energy: -163.095 bonds (distance) P-C4' energy: -176.719 flat angles C4'-P-C4' energy: -190.986 flat angles P-C4'-P energy: -128.966 tors. eta vs tors. theta energy: -213.855 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: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2624.315430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.315430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.315430 (E_RNA) where: Base-Base interactions energy: -1779.428 where: short stacking energy: -829.776 Base-Backbone interact. energy: -4.651 local terms energy: -840.237112 where: bonds (distance) C4'-P energy: -161.971 bonds (distance) P-C4' energy: -178.207 flat angles C4'-P-C4' energy: -186.423 flat angles P-C4'-P energy: -99.895 tors. eta vs tors. theta energy: -213.741 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: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2364.597743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.597743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.597743 (E_RNA) where: Base-Base interactions energy: -1607.115 where: short stacking energy: -709.290 Base-Backbone interact. energy: -0.475 local terms energy: -757.007969 where: bonds (distance) C4'-P energy: -151.151 bonds (distance) P-C4' energy: -153.016 flat angles C4'-P-C4' energy: -177.572 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -170.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1888.380268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.380268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.380268 (E_RNA) where: Base-Base interactions energy: -1184.392 where: short stacking energy: -537.801 Base-Backbone interact. energy: -2.718 local terms energy: -701.270233 where: bonds (distance) C4'-P energy: -144.543 bonds (distance) P-C4' energy: -168.587 flat angles C4'-P-C4' energy: -168.502 flat angles P-C4'-P energy: -107.355 tors. eta vs tors. theta energy: -112.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1916.091096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.091096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.091096 (E_RNA) where: Base-Base interactions energy: -1245.651 where: short stacking energy: -536.177 Base-Backbone interact. energy: 0.081 local terms energy: -670.520954 where: bonds (distance) C4'-P energy: -151.388 bonds (distance) P-C4' energy: -154.783 flat angles C4'-P-C4' energy: -141.852 flat angles P-C4'-P energy: -111.853 tors. eta vs tors. theta energy: -110.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1318.703162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.703162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.703162 (E_RNA) where: Base-Base interactions energy: -747.151 where: short stacking energy: -399.421 Base-Backbone interact. energy: 0.175 local terms energy: -571.727044 where: bonds (distance) C4'-P energy: -124.628 bonds (distance) P-C4' energy: -156.527 flat angles C4'-P-C4' energy: -151.237 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -56.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -909.999637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.999637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.999637 (E_RNA) where: Base-Base interactions energy: -409.350 where: short stacking energy: -227.490 Base-Backbone interact. energy: -0.948 local terms energy: -499.701254 where: bonds (distance) C4'-P energy: -157.463 bonds (distance) P-C4' energy: -152.996 flat angles C4'-P-C4' energy: -136.996 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: 9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3213.033194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.033194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.033194 (E_RNA) where: Base-Base interactions energy: -2217.541 where: short stacking energy: -944.667 Base-Backbone interact. energy: -6.932 local terms energy: -988.560525 where: bonds (distance) C4'-P energy: -166.957 bonds (distance) P-C4' energy: -199.903 flat angles C4'-P-C4' energy: -194.624 flat angles P-C4'-P energy: -153.125 tors. eta vs tors. theta energy: -273.951 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: 321 Temperature: 0.950000 Total energy: -3022.417657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.417657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.417657 (E_RNA) where: Base-Base interactions energy: -2094.555 where: short stacking energy: -882.809 Base-Backbone interact. energy: -0.747 local terms energy: -927.115570 where: bonds (distance) C4'-P energy: -169.832 bonds (distance) P-C4' energy: -177.296 flat angles C4'-P-C4' energy: -206.472 flat angles P-C4'-P energy: -127.240 tors. eta vs tors. theta energy: -246.276 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: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2960.128170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.128170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.128170 (E_RNA) where: Base-Base interactions energy: -2039.625 where: short stacking energy: -903.556 Base-Backbone interact. energy: -0.573 local terms energy: -919.929852 where: bonds (distance) C4'-P energy: -164.189 bonds (distance) P-C4' energy: -167.539 flat angles C4'-P-C4' energy: -192.611 flat angles P-C4'-P energy: -140.285 tors. eta vs tors. theta energy: -255.305 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: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2813.749530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.749530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.749530 (E_RNA) where: Base-Base interactions energy: -1918.952 where: short stacking energy: -802.225 Base-Backbone interact. energy: 3.575 local terms energy: -898.371689 where: bonds (distance) C4'-P energy: -167.136 bonds (distance) P-C4' energy: -174.879 flat angles C4'-P-C4' energy: -183.287 flat angles P-C4'-P energy: -146.301 tors. eta vs tors. theta energy: -226.769 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: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2572.453239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.453239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.453239 (E_RNA) where: Base-Base interactions energy: -1757.368 where: short stacking energy: -780.190 Base-Backbone interact. energy: 3.344 local terms energy: -818.429036 where: bonds (distance) C4'-P energy: -117.027 bonds (distance) P-C4' energy: -177.386 flat angles C4'-P-C4' energy: -191.073 flat angles P-C4'-P energy: -130.106 tors. eta vs tors. theta energy: -202.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2352.666106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.666106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.666106 (E_RNA) where: Base-Base interactions energy: -1592.428 where: short stacking energy: -690.188 Base-Backbone interact. energy: 0.709 local terms energy: -760.946614 where: bonds (distance) C4'-P energy: -161.652 bonds (distance) P-C4' energy: -160.488 flat angles C4'-P-C4' energy: -178.682 flat angles P-C4'-P energy: -99.067 tors. eta vs tors. theta energy: -161.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1979.131946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.131946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.131946 (E_RNA) where: Base-Base interactions energy: -1314.978 where: short stacking energy: -584.250 Base-Backbone interact. energy: -1.416 local terms energy: -662.737417 where: bonds (distance) C4'-P energy: -144.470 bonds (distance) P-C4' energy: -150.037 flat angles C4'-P-C4' energy: -173.064 flat angles P-C4'-P energy: -85.774 tors. eta vs tors. theta energy: -109.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1851.892024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.892024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.892024 (E_RNA) where: Base-Base interactions energy: -1180.579 where: short stacking energy: -547.401 Base-Backbone interact. energy: -0.380 local terms energy: -670.933487 where: bonds (distance) C4'-P energy: -170.970 bonds (distance) P-C4' energy: -128.161 flat angles C4'-P-C4' energy: -165.873 flat angles P-C4'-P energy: -102.926 tors. eta vs tors. theta energy: -103.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1370.374124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.374124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.374124 (E_RNA) where: Base-Base interactions energy: -788.589 where: short stacking energy: -372.219 Base-Backbone interact. energy: -1.537 local terms energy: -580.247182 where: bonds (distance) C4'-P energy: -166.217 bonds (distance) P-C4' energy: -140.669 flat angles C4'-P-C4' energy: -140.384 flat angles P-C4'-P energy: -83.494 tors. eta vs tors. theta energy: -49.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -922.694134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.694134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.694134 (E_RNA) where: Base-Base interactions energy: -442.531 where: short stacking energy: -260.401 Base-Backbone interact. energy: 13.729 local terms energy: -493.891761 where: bonds (distance) C4'-P energy: -121.298 bonds (distance) P-C4' energy: -163.825 flat angles C4'-P-C4' energy: -130.104 flat angles P-C4'-P energy: -94.988 tors. eta vs tors. theta energy: 16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3236.154611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.154611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.154611 (E_RNA) where: Base-Base interactions energy: -2231.865 where: short stacking energy: -951.762 Base-Backbone interact. energy: -6.463 local terms energy: -997.826631 where: bonds (distance) C4'-P energy: -175.935 bonds (distance) P-C4' energy: -187.264 flat angles C4'-P-C4' energy: -215.816 flat angles P-C4'-P energy: -145.518 tors. eta vs tors. theta energy: -273.293 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: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3044.800215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.800215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.800215 (E_RNA) where: Base-Base interactions energy: -2104.443 where: short stacking energy: -928.467 Base-Backbone interact. energy: -4.312 local terms energy: -936.045135 where: bonds (distance) C4'-P energy: -174.021 bonds (distance) P-C4' energy: -177.147 flat angles C4'-P-C4' energy: -205.271 flat angles P-C4'-P energy: -122.348 tors. eta vs tors. theta energy: -257.258 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: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2947.661522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.661522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.661522 (E_RNA) where: Base-Base interactions energy: -2015.315 where: short stacking energy: -871.451 Base-Backbone interact. energy: -7.541 local terms energy: -924.805675 where: bonds (distance) C4'-P energy: -167.368 bonds (distance) P-C4' energy: -183.357 flat angles C4'-P-C4' energy: -204.912 flat angles P-C4'-P energy: -120.757 tors. eta vs tors. theta energy: -248.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2773.440813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.440813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.440813 (E_RNA) where: Base-Base interactions energy: -1895.847 where: short stacking energy: -831.984 Base-Backbone interact. energy: -5.531 local terms energy: -872.062808 where: bonds (distance) C4'-P energy: -131.858 bonds (distance) P-C4' energy: -173.567 flat angles C4'-P-C4' energy: -197.069 flat angles P-C4'-P energy: -126.537 tors. eta vs tors. theta energy: -243.031 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: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2593.402566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.402566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.402566 (E_RNA) where: Base-Base interactions energy: -1791.862 where: short stacking energy: -789.273 Base-Backbone interact. energy: -4.205 local terms energy: -797.335598 where: bonds (distance) C4'-P energy: -151.019 bonds (distance) P-C4' energy: -146.004 flat angles C4'-P-C4' energy: -173.660 flat angles P-C4'-P energy: -124.438 tors. eta vs tors. theta energy: -202.214 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: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2389.492804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.492804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.492804 (E_RNA) where: Base-Base interactions energy: -1636.293 where: short stacking energy: -729.447 Base-Backbone interact. energy: -4.390 local terms energy: -748.810089 where: bonds (distance) C4'-P energy: -147.100 bonds (distance) P-C4' energy: -147.844 flat angles C4'-P-C4' energy: -176.966 flat angles P-C4'-P energy: -125.078 tors. eta vs tors. theta energy: -151.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2034.604243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.604243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.604243 (E_RNA) where: Base-Base interactions energy: -1367.735 where: short stacking energy: -593.618 Base-Backbone interact. energy: -0.573 local terms energy: -666.295545 where: bonds (distance) C4'-P energy: -139.260 bonds (distance) P-C4' energy: -140.665 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -120.901 tors. eta vs tors. theta energy: -125.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1822.429388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.429388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.429388 (E_RNA) where: Base-Base interactions energy: -1150.965 where: short stacking energy: -504.148 Base-Backbone interact. energy: 10.763 local terms energy: -682.226653 where: bonds (distance) C4'-P energy: -158.154 bonds (distance) P-C4' energy: -174.880 flat angles C4'-P-C4' energy: -150.240 flat angles P-C4'-P energy: -92.810 tors. eta vs tors. theta energy: -106.143 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: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1337.557744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.557744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.557744 (E_RNA) where: Base-Base interactions energy: -780.800 where: short stacking energy: -402.432 Base-Backbone interact. energy: -1.624 local terms energy: -555.133636 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -164.141 flat angles C4'-P-C4' energy: -118.046 flat angles P-C4'-P energy: -106.851 tors. eta vs tors. theta energy: -50.267 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: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -947.771529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.771529 (E_RNA) where: Base-Base interactions energy: -446.304 where: short stacking energy: -290.019 Base-Backbone interact. energy: -0.649 local terms energy: -500.818920 where: bonds (distance) C4'-P energy: -139.493 bonds (distance) P-C4' energy: -140.764 flat angles C4'-P-C4' energy: -124.901 flat angles P-C4'-P energy: -96.805 tors. eta vs tors. theta energy: 1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3166.073802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.073802 (E_RNA) where: Base-Base interactions energy: -2160.363 where: short stacking energy: -945.177 Base-Backbone interact. energy: -4.396 local terms energy: -1001.314051 where: bonds (distance) C4'-P energy: -177.676 bonds (distance) P-C4' energy: -186.635 flat angles C4'-P-C4' energy: -209.828 flat angles P-C4'-P energy: -145.008 tors. eta vs tors. theta energy: -282.167 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: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -3065.916132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.916132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.916132 (E_RNA) where: Base-Base interactions energy: -2131.238 where: short stacking energy: -906.735 Base-Backbone interact. energy: -4.744 local terms energy: -929.934352 where: bonds (distance) C4'-P energy: -167.550 bonds (distance) P-C4' energy: -188.084 flat angles C4'-P-C4' energy: -185.844 flat angles P-C4'-P energy: -126.365 tors. eta vs tors. theta energy: -262.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2899.465420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.465420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.465420 (E_RNA) where: Base-Base interactions energy: -1981.082 where: short stacking energy: -840.628 Base-Backbone interact. energy: 2.444 local terms energy: -920.826885 where: bonds (distance) C4'-P energy: -186.438 bonds (distance) P-C4' energy: -168.982 flat angles C4'-P-C4' energy: -209.503 flat angles P-C4'-P energy: -121.508 tors. eta vs tors. theta energy: -234.395 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: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2767.128133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.128133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.128133 (E_RNA) where: Base-Base interactions energy: -1904.964 where: short stacking energy: -819.284 Base-Backbone interact. energy: -4.751 local terms energy: -857.412633 where: bonds (distance) C4'-P energy: -154.041 bonds (distance) P-C4' energy: -167.022 flat angles C4'-P-C4' energy: -179.654 flat angles P-C4'-P energy: -127.211 tors. eta vs tors. theta energy: -229.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2582.644146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.644146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.644146 (E_RNA) where: Base-Base interactions energy: -1783.343 where: short stacking energy: -761.831 Base-Backbone interact. energy: -3.805 local terms energy: -795.495326 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -177.052 flat angles P-C4'-P energy: -100.537 tors. eta vs tors. theta energy: -208.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2343.282795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.282795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.282795 (E_RNA) where: Base-Base interactions energy: -1609.103 where: short stacking energy: -704.410 Base-Backbone interact. energy: -4.774 local terms energy: -729.406698 where: bonds (distance) C4'-P energy: -138.480 bonds (distance) P-C4' energy: -158.135 flat angles C4'-P-C4' energy: -171.818 flat angles P-C4'-P energy: -98.039 tors. eta vs tors. theta energy: -162.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1921.653181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.653181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.653181 (E_RNA) where: Base-Base interactions energy: -1252.929 where: short stacking energy: -582.909 Base-Backbone interact. energy: -0.718 local terms energy: -668.006417 where: bonds (distance) C4'-P energy: -145.635 bonds (distance) P-C4' energy: -150.102 flat angles C4'-P-C4' energy: -157.740 flat angles P-C4'-P energy: -80.918 tors. eta vs tors. theta energy: -133.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1878.117201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.117201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.117201 (E_RNA) where: Base-Base interactions energy: -1206.186 where: short stacking energy: -532.490 Base-Backbone interact. energy: -1.019 local terms energy: -670.912469 where: bonds (distance) C4'-P energy: -148.522 bonds (distance) P-C4' energy: -169.601 flat angles C4'-P-C4' energy: -168.138 flat angles P-C4'-P energy: -85.900 tors. eta vs tors. theta energy: -98.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1376.281861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.281861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.281861 (E_RNA) where: Base-Base interactions energy: -802.349 where: short stacking energy: -401.553 Base-Backbone interact. energy: 9.262 local terms energy: -583.194741 where: bonds (distance) C4'-P energy: -149.770 bonds (distance) P-C4' energy: -150.737 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -75.487 tors. eta vs tors. theta energy: -51.639 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: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -937.370099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.370099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.370099 (E_RNA) where: Base-Base interactions energy: -456.794 where: short stacking energy: -267.200 Base-Backbone interact. energy: 0.723 local terms energy: -481.299185 where: bonds (distance) C4'-P energy: -141.132 bonds (distance) P-C4' energy: -127.741 flat angles C4'-P-C4' energy: -138.597 flat angles P-C4'-P energy: -78.109 tors. eta vs tors. theta energy: 4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3175.428468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.428468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.428468 (E_RNA) where: Base-Base interactions energy: -2170.497 where: short stacking energy: -934.387 Base-Backbone interact. energy: -6.097 local terms energy: -998.833663 where: bonds (distance) C4'-P energy: -187.349 bonds (distance) P-C4' energy: -183.122 flat angles C4'-P-C4' energy: -216.174 flat angles P-C4'-P energy: -137.437 tors. eta vs tors. theta energy: -274.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -3065.052696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.052696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.052696 (E_RNA) where: Base-Base interactions energy: -2116.349 where: short stacking energy: -901.608 Base-Backbone interact. energy: -6.919 local terms energy: -941.784234 where: bonds (distance) C4'-P energy: -178.431 bonds (distance) P-C4' energy: -186.898 flat angles C4'-P-C4' energy: -190.213 flat angles P-C4'-P energy: -127.807 tors. eta vs tors. theta energy: -258.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2937.118601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.118601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.118601 (E_RNA) where: Base-Base interactions energy: -2002.992 where: short stacking energy: -856.438 Base-Backbone interact. energy: -5.288 local terms energy: -928.838964 where: bonds (distance) C4'-P energy: -155.826 bonds (distance) P-C4' energy: -174.169 flat angles C4'-P-C4' energy: -201.379 flat angles P-C4'-P energy: -136.635 tors. eta vs tors. theta energy: -260.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2758.513013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.513013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.513013 (E_RNA) where: Base-Base interactions energy: -1895.391 where: short stacking energy: -807.626 Base-Backbone interact. energy: -5.228 local terms energy: -857.893827 where: bonds (distance) C4'-P energy: -174.462 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -187.127 flat angles P-C4'-P energy: -107.804 tors. eta vs tors. theta energy: -226.539 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: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2623.807111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.807111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.807111 (E_RNA) where: Base-Base interactions energy: -1786.887 where: short stacking energy: -773.170 Base-Backbone interact. energy: -0.668 local terms energy: -836.252099 where: bonds (distance) C4'-P energy: -165.214 bonds (distance) P-C4' energy: -166.831 flat angles C4'-P-C4' energy: -194.239 flat angles P-C4'-P energy: -118.004 tors. eta vs tors. theta energy: -191.964 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: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2341.148602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.148602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.148602 (E_RNA) where: Base-Base interactions energy: -1568.007 where: short stacking energy: -704.191 Base-Backbone interact. energy: -3.326 local terms energy: -769.815615 where: bonds (distance) C4'-P energy: -167.273 bonds (distance) P-C4' energy: -164.248 flat angles C4'-P-C4' energy: -184.197 flat angles P-C4'-P energy: -98.787 tors. eta vs tors. theta energy: -155.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1956.553779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.553779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.553779 (E_RNA) where: Base-Base interactions energy: -1276.320 where: short stacking energy: -585.463 Base-Backbone interact. energy: 1.922 local terms energy: -682.155828 where: bonds (distance) C4'-P energy: -134.152 bonds (distance) P-C4' energy: -151.655 flat angles C4'-P-C4' energy: -158.211 flat angles P-C4'-P energy: -109.518 tors. eta vs tors. theta energy: -128.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1835.588046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.588046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.588046 (E_RNA) where: Base-Base interactions energy: -1193.964 where: short stacking energy: -535.211 Base-Backbone interact. energy: 2.257 local terms energy: -643.881209 where: bonds (distance) C4'-P energy: -151.856 bonds (distance) P-C4' energy: -159.859 flat angles C4'-P-C4' energy: -144.062 flat angles P-C4'-P energy: -90.402 tors. eta vs tors. theta energy: -97.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1359.033814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.033814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.033814 (E_RNA) where: Base-Base interactions energy: -808.513 where: short stacking energy: -395.644 Base-Backbone interact. energy: -4.747 local terms energy: -545.773095 where: bonds (distance) C4'-P energy: -137.015 bonds (distance) P-C4' energy: -139.669 flat angles C4'-P-C4' energy: -144.365 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -45.335 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: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -951.822027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.822027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.822027 (E_RNA) where: Base-Base interactions energy: -420.087 where: short stacking energy: -275.542 Base-Backbone interact. energy: -0.171 local terms energy: -531.563960 where: bonds (distance) C4'-P energy: -138.923 bonds (distance) P-C4' energy: -152.462 flat angles C4'-P-C4' energy: -151.630 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3229.513444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.513444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.513444 (E_RNA) where: Base-Base interactions energy: -2246.535 where: short stacking energy: -991.466 Base-Backbone interact. energy: -8.487 local terms energy: -974.491894 where: bonds (distance) C4'-P energy: -166.209 bonds (distance) P-C4' energy: -179.921 flat angles C4'-P-C4' energy: -210.653 flat angles P-C4'-P energy: -134.191 tors. eta vs tors. theta energy: -283.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3044.739556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.739556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.739556 (E_RNA) where: Base-Base interactions energy: -2130.218 where: short stacking energy: -920.331 Base-Backbone interact. energy: -3.908 local terms energy: -910.613188 where: bonds (distance) C4'-P energy: -157.000 bonds (distance) P-C4' energy: -170.035 flat angles C4'-P-C4' energy: -198.156 flat angles P-C4'-P energy: -128.971 tors. eta vs tors. theta energy: -256.451 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: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2976.395314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.395314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.395314 (E_RNA) where: Base-Base interactions energy: -2047.805 where: short stacking energy: -858.377 Base-Backbone interact. energy: -3.077 local terms energy: -925.513181 where: bonds (distance) C4'-P energy: -184.922 bonds (distance) P-C4' energy: -165.001 flat angles C4'-P-C4' energy: -200.176 flat angles P-C4'-P energy: -135.090 tors. eta vs tors. theta energy: -240.324 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: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2772.278938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.278938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.278938 (E_RNA) where: Base-Base interactions energy: -1881.234 where: short stacking energy: -833.749 Base-Backbone interact. energy: 2.934 local terms energy: -893.979221 where: bonds (distance) C4'-P energy: -175.277 bonds (distance) P-C4' energy: -171.710 flat angles C4'-P-C4' energy: -197.274 flat angles P-C4'-P energy: -123.156 tors. eta vs tors. theta energy: -226.563 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: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2620.856380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.856380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.856380 (E_RNA) where: Base-Base interactions energy: -1786.155 where: short stacking energy: -764.558 Base-Backbone interact. energy: -1.799 local terms energy: -832.902388 where: bonds (distance) C4'-P energy: -153.832 bonds (distance) P-C4' energy: -170.634 flat angles C4'-P-C4' energy: -191.833 flat angles P-C4'-P energy: -109.069 tors. eta vs tors. theta energy: -207.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2355.411069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.411069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.411069 (E_RNA) where: Base-Base interactions energy: -1612.465 where: short stacking energy: -705.543 Base-Backbone interact. energy: -2.938 local terms energy: -740.008145 where: bonds (distance) C4'-P energy: -137.263 bonds (distance) P-C4' energy: -169.343 flat angles C4'-P-C4' energy: -167.284 flat angles P-C4'-P energy: -94.195 tors. eta vs tors. theta energy: -171.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1973.153080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.153080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.153080 (E_RNA) where: Base-Base interactions energy: -1274.675 where: short stacking energy: -580.018 Base-Backbone interact. energy: -5.018 local terms energy: -693.459863 where: bonds (distance) C4'-P energy: -143.388 bonds (distance) P-C4' energy: -151.313 flat angles C4'-P-C4' energy: -163.521 flat angles P-C4'-P energy: -99.898 tors. eta vs tors. theta energy: -135.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1775.500455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.500455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.500455 (E_RNA) where: Base-Base interactions energy: -1146.219 where: short stacking energy: -508.426 Base-Backbone interact. energy: -3.745 local terms energy: -625.536747 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -153.854 flat angles C4'-P-C4' energy: -150.819 flat angles P-C4'-P energy: -92.844 tors. eta vs tors. theta energy: -82.758 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: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1346.830583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.830583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.830583 (E_RNA) where: Base-Base interactions energy: -801.783 where: short stacking energy: -417.836 Base-Backbone interact. energy: -3.430 local terms energy: -541.617679 where: bonds (distance) C4'-P energy: -140.101 bonds (distance) P-C4' energy: -103.068 flat angles C4'-P-C4' energy: -155.477 flat angles P-C4'-P energy: -82.795 tors. eta vs tors. theta energy: -60.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -904.505374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.505374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.505374 (E_RNA) where: Base-Base interactions energy: -425.578 where: short stacking energy: -273.632 Base-Backbone interact. energy: -0.673 local terms energy: -478.255307 where: bonds (distance) C4'-P energy: -121.547 bonds (distance) P-C4' energy: -150.879 flat angles C4'-P-C4' energy: -145.611 flat angles P-C4'-P energy: -65.801 tors. eta vs tors. theta energy: 5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3212.712128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.712128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.712128 (E_RNA) where: Base-Base interactions energy: -2198.297 where: short stacking energy: -948.492 Base-Backbone interact. energy: -5.044 local terms energy: -1009.370607 where: bonds (distance) C4'-P energy: -195.503 bonds (distance) P-C4' energy: -186.726 flat angles C4'-P-C4' energy: -208.270 flat angles P-C4'-P energy: -134.942 tors. eta vs tors. theta energy: -283.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3096.572106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.572106 (E_RNA) where: Base-Base interactions energy: -2137.621 where: short stacking energy: -917.358 Base-Backbone interact. energy: -2.287 local terms energy: -956.664222 where: bonds (distance) C4'-P energy: -184.455 bonds (distance) P-C4' energy: -191.647 flat angles C4'-P-C4' energy: -194.970 flat angles P-C4'-P energy: -124.411 tors. eta vs tors. theta energy: -261.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2985.470954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.470954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.470954 (E_RNA) where: Base-Base interactions energy: -2096.916 where: short stacking energy: -927.262 Base-Backbone interact. energy: -6.149 local terms energy: -882.406135 where: bonds (distance) C4'-P energy: -160.201 bonds (distance) P-C4' energy: -163.893 flat angles C4'-P-C4' energy: -172.164 flat angles P-C4'-P energy: -128.093 tors. eta vs tors. theta energy: -258.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2787.093948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.093948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.093948 (E_RNA) where: Base-Base interactions energy: -1921.130 where: short stacking energy: -840.362 Base-Backbone interact. energy: -3.261 local terms energy: -862.703412 where: bonds (distance) C4'-P energy: -151.089 bonds (distance) P-C4' energy: -161.468 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -125.547 tors. eta vs tors. theta energy: -232.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2648.768723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.768723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.768723 (E_RNA) where: Base-Base interactions energy: -1800.450 where: short stacking energy: -781.354 Base-Backbone interact. energy: -6.150 local terms energy: -842.168728 where: bonds (distance) C4'-P energy: -148.640 bonds (distance) P-C4' energy: -172.538 flat angles C4'-P-C4' energy: -190.626 flat angles P-C4'-P energy: -121.462 tors. eta vs tors. theta energy: -208.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2350.677528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.677528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.677528 (E_RNA) where: Base-Base interactions energy: -1619.156 where: short stacking energy: -701.713 Base-Backbone interact. energy: -1.057 local terms energy: -730.464589 where: bonds (distance) C4'-P energy: -146.031 bonds (distance) P-C4' energy: -164.484 flat angles C4'-P-C4' energy: -171.357 flat angles P-C4'-P energy: -94.847 tors. eta vs tors. theta energy: -153.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1971.741944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.741944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.741944 (E_RNA) where: Base-Base interactions energy: -1280.100 where: short stacking energy: -586.977 Base-Backbone interact. energy: 0.059 local terms energy: -691.701357 where: bonds (distance) C4'-P energy: -162.038 bonds (distance) P-C4' energy: -152.408 flat angles C4'-P-C4' energy: -159.839 flat angles P-C4'-P energy: -99.743 tors. eta vs tors. theta energy: -117.673 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: 326 Temperature: 1.250000 Total energy: -1834.404876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.404876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.404876 (E_RNA) where: Base-Base interactions energy: -1155.684 where: short stacking energy: -488.657 Base-Backbone interact. energy: -3.233 local terms energy: -675.487388 where: bonds (distance) C4'-P energy: -154.147 bonds (distance) P-C4' energy: -160.070 flat angles C4'-P-C4' energy: -153.995 flat angles P-C4'-P energy: -103.210 tors. eta vs tors. theta energy: -104.066 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: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1351.850599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.850599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.850599 (E_RNA) where: Base-Base interactions energy: -778.332 where: short stacking energy: -410.912 Base-Backbone interact. energy: -3.844 local terms energy: -569.674122 where: bonds (distance) C4'-P energy: -173.721 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -134.743 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -60.024 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: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -893.018593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.018593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.018593 (E_RNA) where: Base-Base interactions energy: -431.415 where: short stacking energy: -273.618 Base-Backbone interact. energy: 1.696 local terms energy: -463.300144 where: bonds (distance) C4'-P energy: -140.818 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -117.570 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3217.206533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.206533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.206533 (E_RNA) where: Base-Base interactions energy: -2215.854 where: short stacking energy: -955.256 Base-Backbone interact. energy: -4.770 local terms energy: -996.582638 where: bonds (distance) C4'-P energy: -186.587 bonds (distance) P-C4' energy: -185.932 flat angles C4'-P-C4' energy: -210.189 flat angles P-C4'-P energy: -136.767 tors. eta vs tors. theta energy: -277.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -3074.183755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.183755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.183755 (E_RNA) where: Base-Base interactions energy: -2097.187 where: short stacking energy: -890.491 Base-Backbone interact. energy: -6.010 local terms energy: -970.986816 where: bonds (distance) C4'-P energy: -184.338 bonds (distance) P-C4' energy: -184.323 flat angles C4'-P-C4' energy: -206.797 flat angles P-C4'-P energy: -142.988 tors. eta vs tors. theta energy: -252.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2960.169898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.169898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.169898 (E_RNA) where: Base-Base interactions energy: -2051.812 where: short stacking energy: -876.723 Base-Backbone interact. energy: 1.985 local terms energy: -910.342858 where: bonds (distance) C4'-P energy: -143.625 bonds (distance) P-C4' energy: -181.720 flat angles C4'-P-C4' energy: -203.535 flat angles P-C4'-P energy: -126.883 tors. eta vs tors. theta energy: -254.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2781.782499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.782499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.782499 (E_RNA) where: Base-Base interactions energy: -1886.764 where: short stacking energy: -845.208 Base-Backbone interact. energy: -2.126 local terms energy: -892.892910 where: bonds (distance) C4'-P energy: -176.604 bonds (distance) P-C4' energy: -174.498 flat angles C4'-P-C4' energy: -193.096 flat angles P-C4'-P energy: -122.919 tors. eta vs tors. theta energy: -225.776 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: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2624.262053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.262053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.262053 (E_RNA) where: Base-Base interactions energy: -1788.042 where: short stacking energy: -777.977 Base-Backbone interact. energy: -2.599 local terms energy: -833.620707 where: bonds (distance) C4'-P energy: -147.673 bonds (distance) P-C4' energy: -155.720 flat angles C4'-P-C4' energy: -197.769 flat angles P-C4'-P energy: -123.302 tors. eta vs tors. theta energy: -209.157 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: 327 Temperature: 1.150000 Total energy: -2371.639853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.639853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.639853 (E_RNA) where: Base-Base interactions energy: -1594.150 where: short stacking energy: -711.407 Base-Backbone interact. energy: -2.657 local terms energy: -774.833375 where: bonds (distance) C4'-P energy: -158.142 bonds (distance) P-C4' energy: -168.686 flat angles C4'-P-C4' energy: -184.791 flat angles P-C4'-P energy: -89.367 tors. eta vs tors. theta energy: -173.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2021.965958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.965958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.965958 (E_RNA) where: Base-Base interactions energy: -1304.384 where: short stacking energy: -570.499 Base-Backbone interact. energy: -2.790 local terms energy: -714.791520 where: bonds (distance) C4'-P energy: -151.929 bonds (distance) P-C4' energy: -156.827 flat angles C4'-P-C4' energy: -172.031 flat angles P-C4'-P energy: -117.695 tors. eta vs tors. theta energy: -116.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1927.821442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.821442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.821442 (E_RNA) where: Base-Base interactions energy: -1252.446 where: short stacking energy: -531.754 Base-Backbone interact. energy: -0.559 local terms energy: -674.816427 where: bonds (distance) C4'-P energy: -150.626 bonds (distance) P-C4' energy: -159.771 flat angles C4'-P-C4' energy: -163.173 flat angles P-C4'-P energy: -100.760 tors. eta vs tors. theta energy: -100.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1344.623050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.623050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.623050 (E_RNA) where: Base-Base interactions energy: -787.477 where: short stacking energy: -389.858 Base-Backbone interact. energy: 2.944 local terms energy: -560.089986 where: bonds (distance) C4'-P energy: -141.091 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -144.093 flat angles P-C4'-P energy: -81.517 tors. eta vs tors. theta energy: -59.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -868.656579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.656579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.656579 (E_RNA) where: Base-Base interactions energy: -404.723 where: short stacking energy: -248.133 Base-Backbone interact. energy: 8.813 local terms energy: -472.747117 where: bonds (distance) C4'-P energy: -139.404 bonds (distance) P-C4' energy: -156.561 flat angles C4'-P-C4' energy: -131.503 flat angles P-C4'-P energy: -65.044 tors. eta vs tors. theta energy: 19.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3220.269878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.269878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.269878 (E_RNA) where: Base-Base interactions energy: -2224.668 where: short stacking energy: -972.973 Base-Backbone interact. energy: -4.641 local terms energy: -990.960345 where: bonds (distance) C4'-P energy: -190.193 bonds (distance) P-C4' energy: -177.864 flat angles C4'-P-C4' energy: -199.356 flat angles P-C4'-P energy: -134.343 tors. eta vs tors. theta energy: -289.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -3097.388549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.388549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.388549 (E_RNA) where: Base-Base interactions energy: -2131.706 where: short stacking energy: -908.967 Base-Backbone interact. energy: -6.975 local terms energy: -958.707530 where: bonds (distance) C4'-P energy: -172.145 bonds (distance) P-C4' energy: -177.476 flat angles C4'-P-C4' energy: -209.016 flat angles P-C4'-P energy: -124.638 tors. eta vs tors. theta energy: -275.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2954.803612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.803612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.803612 (E_RNA) where: Base-Base interactions energy: -2044.469 where: short stacking energy: -875.401 Base-Backbone interact. energy: -5.401 local terms energy: -904.933343 where: bonds (distance) C4'-P energy: -165.524 bonds (distance) P-C4' energy: -190.644 flat angles C4'-P-C4' energy: -191.736 flat angles P-C4'-P energy: -105.602 tors. eta vs tors. theta energy: -251.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2787.185436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.185436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.185436 (E_RNA) where: Base-Base interactions energy: -1916.054 where: short stacking energy: -821.465 Base-Backbone interact. energy: -3.062 local terms energy: -868.069856 where: bonds (distance) C4'-P energy: -167.969 bonds (distance) P-C4' energy: -161.523 flat angles C4'-P-C4' energy: -176.159 flat angles P-C4'-P energy: -116.799 tors. eta vs tors. theta energy: -245.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2652.604276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.604276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.604276 (E_RNA) where: Base-Base interactions energy: -1802.613 where: short stacking energy: -779.497 Base-Backbone interact. energy: -4.029 local terms energy: -845.962003 where: bonds (distance) C4'-P energy: -150.323 bonds (distance) P-C4' energy: -163.504 flat angles C4'-P-C4' energy: -181.869 flat angles P-C4'-P energy: -131.437 tors. eta vs tors. theta energy: -218.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2329.325927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.325927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.325927 (E_RNA) where: Base-Base interactions energy: -1569.705 where: short stacking energy: -706.041 Base-Backbone interact. energy: 3.400 local terms energy: -763.021469 where: bonds (distance) C4'-P energy: -152.177 bonds (distance) P-C4' energy: -145.442 flat angles C4'-P-C4' energy: -171.593 flat angles P-C4'-P energy: -117.099 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: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1987.384108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.384108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.384108 (E_RNA) where: Base-Base interactions energy: -1276.327 where: short stacking energy: -563.165 Base-Backbone interact. energy: -2.799 local terms energy: -708.257483 where: bonds (distance) C4'-P energy: -167.069 bonds (distance) P-C4' energy: -156.487 flat angles C4'-P-C4' energy: -154.038 flat angles P-C4'-P energy: -102.527 tors. eta vs tors. theta energy: -128.137 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1856.297704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.297704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.297704 (E_RNA) where: Base-Base interactions energy: -1135.918 where: short stacking energy: -512.305 Base-Backbone interact. energy: 0.183 local terms energy: -720.562273 where: bonds (distance) C4'-P energy: -157.134 bonds (distance) P-C4' energy: -163.280 flat angles C4'-P-C4' energy: -173.964 flat angles P-C4'-P energy: -108.969 tors. eta vs tors. theta energy: -117.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1361.204057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.204057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.204057 (E_RNA) where: Base-Base interactions energy: -782.852 where: short stacking energy: -386.845 Base-Backbone interact. energy: 4.087 local terms energy: -582.438250 where: bonds (distance) C4'-P energy: -166.119 bonds (distance) P-C4' energy: -168.931 flat angles C4'-P-C4' energy: -126.015 flat angles P-C4'-P energy: -63.751 tors. eta vs tors. theta energy: -57.622 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: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -934.389450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.389450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.389450 (E_RNA) where: Base-Base interactions energy: -466.455 where: short stacking energy: -281.425 Base-Backbone interact. energy: 4.957 local terms energy: -472.891290 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -134.181 flat angles C4'-P-C4' energy: -134.838 flat angles P-C4'-P energy: -67.896 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3262.340046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.340046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.340046 (E_RNA) where: Base-Base interactions energy: -2244.806 where: short stacking energy: -974.185 Base-Backbone interact. energy: -0.061 local terms energy: -1017.472485 where: bonds (distance) C4'-P energy: -175.752 bonds (distance) P-C4' energy: -184.790 flat angles C4'-P-C4' energy: -206.273 flat angles P-C4'-P energy: -160.527 tors. eta vs tors. theta energy: -290.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3107.473749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.473749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.473749 (E_RNA) where: Base-Base interactions energy: -2156.160 where: short stacking energy: -960.167 Base-Backbone interact. energy: -2.827 local terms energy: -948.486726 where: bonds (distance) C4'-P energy: -171.230 bonds (distance) P-C4' energy: -166.928 flat angles C4'-P-C4' energy: -209.183 flat angles P-C4'-P energy: -138.470 tors. eta vs tors. theta energy: -262.677 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: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2946.900798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.900798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.900798 (E_RNA) where: Base-Base interactions energy: -2048.153 where: short stacking energy: -860.684 Base-Backbone interact. energy: -2.389 local terms energy: -896.358502 where: bonds (distance) C4'-P energy: -173.550 bonds (distance) P-C4' energy: -166.119 flat angles C4'-P-C4' energy: -197.427 flat angles P-C4'-P energy: -119.351 tors. eta vs tors. theta energy: -239.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2795.042950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.042950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.042950 (E_RNA) where: Base-Base interactions energy: -1900.590 where: short stacking energy: -871.460 Base-Backbone interact. energy: 0.921 local terms energy: -895.374072 where: bonds (distance) C4'-P energy: -154.179 bonds (distance) P-C4' energy: -181.917 flat angles C4'-P-C4' energy: -197.745 flat angles P-C4'-P energy: -119.763 tors. eta vs tors. theta energy: -241.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2706.754693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.754693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.754693 (E_RNA) where: Base-Base interactions energy: -1848.618 where: short stacking energy: -809.628 Base-Backbone interact. energy: -3.971 local terms energy: -854.165343 where: bonds (distance) C4'-P energy: -148.858 bonds (distance) P-C4' energy: -174.764 flat angles C4'-P-C4' energy: -175.460 flat angles P-C4'-P energy: -125.090 tors. eta vs tors. theta energy: -229.993 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: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2296.477703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.477703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.477703 (E_RNA) where: Base-Base interactions energy: -1555.944 where: short stacking energy: -669.937 Base-Backbone interact. energy: -0.750 local terms energy: -739.783801 where: bonds (distance) C4'-P energy: -148.483 bonds (distance) P-C4' energy: -163.805 flat angles C4'-P-C4' energy: -162.042 flat angles P-C4'-P energy: -111.987 tors. eta vs tors. theta energy: -153.466 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: 329 Temperature: 1.200000 Total energy: -1953.827004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.827004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.827004 (E_RNA) where: Base-Base interactions energy: -1227.054 where: short stacking energy: -586.270 Base-Backbone interact. energy: -1.465 local terms energy: -725.308350 where: bonds (distance) C4'-P energy: -162.401 bonds (distance) P-C4' energy: -167.444 flat angles C4'-P-C4' energy: -169.834 flat angles P-C4'-P energy: -97.802 tors. eta vs tors. theta energy: -127.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1898.279739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.279739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.279739 (E_RNA) where: Base-Base interactions energy: -1214.661 where: short stacking energy: -552.902 Base-Backbone interact. energy: 0.163 local terms energy: -683.781491 where: bonds (distance) C4'-P energy: -145.229 bonds (distance) P-C4' energy: -145.615 flat angles C4'-P-C4' energy: -174.061 flat angles P-C4'-P energy: -118.759 tors. eta vs tors. theta energy: -100.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1436.994333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.994333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.994333 (E_RNA) where: Base-Base interactions energy: -851.697 where: short stacking energy: -405.746 Base-Backbone interact. energy: 0.810 local terms energy: -586.107269 where: bonds (distance) C4'-P energy: -146.596 bonds (distance) P-C4' energy: -156.742 flat angles C4'-P-C4' energy: -153.137 flat angles P-C4'-P energy: -71.450 tors. eta vs tors. theta energy: -58.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -895.579826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.579826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.579826 (E_RNA) where: Base-Base interactions energy: -445.298 where: short stacking energy: -272.592 Base-Backbone interact. energy: -0.574 local terms energy: -449.707966 where: bonds (distance) C4'-P energy: -123.554 bonds (distance) P-C4' energy: -157.797 flat angles C4'-P-C4' energy: -113.444 flat angles P-C4'-P energy: -56.625 tors. eta vs tors. theta energy: 1.712 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: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3242.947197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.947197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.947197 (E_RNA) where: Base-Base interactions energy: -2258.666 where: short stacking energy: -984.711 Base-Backbone interact. energy: -4.598 local terms energy: -979.683039 where: bonds (distance) C4'-P energy: -169.841 bonds (distance) P-C4' energy: -160.459 flat angles C4'-P-C4' energy: -202.365 flat angles P-C4'-P energy: -154.941 tors. eta vs tors. theta energy: -292.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3019.575698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.575698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.575698 (E_RNA) where: Base-Base interactions energy: -2102.562 where: short stacking energy: -913.563 Base-Backbone interact. energy: -5.999 local terms energy: -911.014403 where: bonds (distance) C4'-P energy: -157.506 bonds (distance) P-C4' energy: -172.446 flat angles C4'-P-C4' energy: -196.035 flat angles P-C4'-P energy: -133.270 tors. eta vs tors. theta energy: -251.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -3004.975060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.975060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.975060 (E_RNA) where: Base-Base interactions energy: -2067.427 where: short stacking energy: -889.847 Base-Backbone interact. energy: -5.023 local terms energy: -932.525082 where: bonds (distance) C4'-P energy: -169.895 bonds (distance) P-C4' energy: -175.605 flat angles C4'-P-C4' energy: -202.942 flat angles P-C4'-P energy: -130.881 tors. eta vs tors. theta energy: -253.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2842.176513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.176513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.176513 (E_RNA) where: Base-Base interactions energy: -1954.957 where: short stacking energy: -846.204 Base-Backbone interact. energy: -2.299 local terms energy: -884.920335 where: bonds (distance) C4'-P energy: -157.574 bonds (distance) P-C4' energy: -164.774 flat angles C4'-P-C4' energy: -196.987 flat angles P-C4'-P energy: -137.449 tors. eta vs tors. theta energy: -228.136 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: 330 Temperature: 1.100000 Total energy: -2653.631513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.631513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.631513 (E_RNA) where: Base-Base interactions energy: -1798.934 where: short stacking energy: -817.211 Base-Backbone interact. energy: -3.658 local terms energy: -851.039538 where: bonds (distance) C4'-P energy: -148.391 bonds (distance) P-C4' energy: -166.713 flat angles C4'-P-C4' energy: -193.942 flat angles P-C4'-P energy: -116.883 tors. eta vs tors. theta energy: -225.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2344.549360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.549360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.549360 (E_RNA) where: Base-Base interactions energy: -1535.377 where: short stacking energy: -717.108 Base-Backbone interact. energy: -1.864 local terms energy: -807.308642 where: bonds (distance) C4'-P energy: -173.128 bonds (distance) P-C4' energy: -159.839 flat angles C4'-P-C4' energy: -181.650 flat angles P-C4'-P energy: -124.136 tors. eta vs tors. theta energy: -168.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1994.641127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.641127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.641127 (E_RNA) where: Base-Base interactions energy: -1317.728 where: short stacking energy: -565.343 Base-Backbone interact. energy: -1.648 local terms energy: -675.265242 where: bonds (distance) C4'-P energy: -143.462 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -160.653 flat angles P-C4'-P energy: -103.360 tors. eta vs tors. theta energy: -118.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1787.992866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.992866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.992866 (E_RNA) where: Base-Base interactions energy: -1104.171 where: short stacking energy: -489.973 Base-Backbone interact. energy: -0.278 local terms energy: -683.543714 where: bonds (distance) C4'-P energy: -154.512 bonds (distance) P-C4' energy: -172.049 flat angles C4'-P-C4' energy: -160.392 flat angles P-C4'-P energy: -99.012 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: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1392.021488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.021488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.021488 (E_RNA) where: Base-Base interactions energy: -827.045 where: short stacking energy: -414.915 Base-Backbone interact. energy: -2.255 local terms energy: -562.721679 where: bonds (distance) C4'-P energy: -132.491 bonds (distance) P-C4' energy: -157.508 flat angles C4'-P-C4' energy: -155.481 flat angles P-C4'-P energy: -89.618 tors. eta vs tors. theta energy: -27.625 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: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -884.281889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.281889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.281889 (E_RNA) where: Base-Base interactions energy: -426.725 where: short stacking energy: -239.560 Base-Backbone interact. energy: -1.333 local terms energy: -456.224346 where: bonds (distance) C4'-P energy: -135.564 bonds (distance) P-C4' energy: -158.891 flat angles C4'-P-C4' energy: -128.842 flat angles P-C4'-P energy: -67.145 tors. eta vs tors. theta energy: 34.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3239.763927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.763927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.763927 (E_RNA) where: Base-Base interactions energy: -2226.924 where: short stacking energy: -968.258 Base-Backbone interact. energy: -4.630 local terms energy: -1008.210531 where: bonds (distance) C4'-P energy: -189.198 bonds (distance) P-C4' energy: -179.568 flat angles C4'-P-C4' energy: -214.639 flat angles P-C4'-P energy: -133.280 tors. eta vs tors. theta energy: -291.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -3035.626493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.626493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.626493 (E_RNA) where: Base-Base interactions energy: -2075.563 where: short stacking energy: -911.062 Base-Backbone interact. energy: -5.676 local terms energy: -954.387818 where: bonds (distance) C4'-P energy: -178.582 bonds (distance) P-C4' energy: -175.827 flat angles C4'-P-C4' energy: -203.325 flat angles P-C4'-P energy: -140.987 tors. eta vs tors. theta energy: -255.667 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: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -3038.422594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.422594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.422594 (E_RNA) where: Base-Base interactions energy: -2085.622 where: short stacking energy: -894.834 Base-Backbone interact. energy: -4.231 local terms energy: -948.569332 where: bonds (distance) C4'-P energy: -185.843 bonds (distance) P-C4' energy: -177.412 flat angles C4'-P-C4' energy: -197.675 flat angles P-C4'-P energy: -137.246 tors. eta vs tors. theta energy: -250.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2754.360371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.360371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.360371 (E_RNA) where: Base-Base interactions energy: -1897.716 where: short stacking energy: -819.495 Base-Backbone interact. energy: -3.315 local terms energy: -853.329163 where: bonds (distance) C4'-P energy: -156.609 bonds (distance) P-C4' energy: -162.621 flat angles C4'-P-C4' energy: -195.463 flat angles P-C4'-P energy: -116.788 tors. eta vs tors. theta energy: -221.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2729.302739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.302739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.302739 (E_RNA) where: Base-Base interactions energy: -1844.930 where: short stacking energy: -823.945 Base-Backbone interact. energy: -3.036 local terms energy: -881.336896 where: bonds (distance) C4'-P energy: -176.192 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -194.892 flat angles P-C4'-P energy: -128.544 tors. eta vs tors. theta energy: -224.777 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: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2297.985339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.985339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.985339 (E_RNA) where: Base-Base interactions energy: -1557.343 where: short stacking energy: -689.544 Base-Backbone interact. energy: -0.275 local terms energy: -740.367315 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -178.581 flat angles C4'-P-C4' energy: -160.074 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -173.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1991.264133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.264133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.264133 (E_RNA) where: Base-Base interactions energy: -1286.676 where: short stacking energy: -569.315 Base-Backbone interact. energy: -3.834 local terms energy: -700.754262 where: bonds (distance) C4'-P energy: -148.033 bonds (distance) P-C4' energy: -173.624 flat angles C4'-P-C4' energy: -169.411 flat angles P-C4'-P energy: -96.453 tors. eta vs tors. theta energy: -113.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1765.618874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.618874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.618874 (E_RNA) where: Base-Base interactions energy: -1117.128 where: short stacking energy: -503.264 Base-Backbone interact. energy: -0.764 local terms energy: -647.726976 where: bonds (distance) C4'-P energy: -123.123 bonds (distance) P-C4' energy: -162.195 flat angles C4'-P-C4' energy: -181.238 flat angles P-C4'-P energy: -82.774 tors. eta vs tors. theta energy: -98.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1439.533458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.533458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.533458 (E_RNA) where: Base-Base interactions energy: -830.746 where: short stacking energy: -405.983 Base-Backbone interact. energy: -1.400 local terms energy: -607.387497 where: bonds (distance) C4'-P energy: -162.681 bonds (distance) P-C4' energy: -163.733 flat angles C4'-P-C4' energy: -136.301 flat angles P-C4'-P energy: -74.537 tors. eta vs tors. theta energy: -70.136 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: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -957.722379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.722379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.722379 (E_RNA) where: Base-Base interactions energy: -454.659 where: short stacking energy: -268.687 Base-Backbone interact. energy: 4.863 local terms energy: -507.925998 where: bonds (distance) C4'-P energy: -139.091 bonds (distance) P-C4' energy: -173.205 flat angles C4'-P-C4' energy: -121.396 flat angles P-C4'-P energy: -90.687 tors. eta vs tors. theta energy: 16.453 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: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3198.040686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.040686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.040686 (E_RNA) where: Base-Base interactions energy: -2193.158 where: short stacking energy: -927.429 Base-Backbone interact. energy: -9.022 local terms energy: -995.860970 where: bonds (distance) C4'-P energy: -180.144 bonds (distance) P-C4' energy: -178.879 flat angles C4'-P-C4' energy: -218.370 flat angles P-C4'-P energy: -137.033 tors. eta vs tors. theta energy: -281.435 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: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3085.584771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.584771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.584771 (E_RNA) where: Base-Base interactions energy: -2161.214 where: short stacking energy: -885.856 Base-Backbone interact. energy: -4.911 local terms energy: -919.459716 where: bonds (distance) C4'-P energy: -157.746 bonds (distance) P-C4' energy: -192.585 flat angles C4'-P-C4' energy: -198.677 flat angles P-C4'-P energy: -121.910 tors. eta vs tors. theta energy: -248.542 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: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2991.858412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.858412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.858412 (E_RNA) where: Base-Base interactions energy: -2064.702 where: short stacking energy: -854.698 Base-Backbone interact. energy: -4.344 local terms energy: -922.812633 where: bonds (distance) C4'-P energy: -176.127 bonds (distance) P-C4' energy: -172.304 flat angles C4'-P-C4' energy: -194.324 flat angles P-C4'-P energy: -142.514 tors. eta vs tors. theta energy: -237.544 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: 332 Temperature: 1.050000 Total energy: -2725.222186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.222186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.222186 (E_RNA) where: Base-Base interactions energy: -1858.438 where: short stacking energy: -836.925 Base-Backbone interact. energy: -5.029 local terms energy: -861.754565 where: bonds (distance) C4'-P energy: -156.043 bonds (distance) P-C4' energy: -163.064 flat angles C4'-P-C4' energy: -200.136 flat angles P-C4'-P energy: -117.451 tors. eta vs tors. theta energy: -225.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2755.292447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.292447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.292447 (E_RNA) where: Base-Base interactions energy: -1932.828 where: short stacking energy: -819.861 Base-Backbone interact. energy: -4.146 local terms energy: -818.318570 where: bonds (distance) C4'-P energy: -148.100 bonds (distance) P-C4' energy: -139.844 flat angles C4'-P-C4' energy: -203.262 flat angles P-C4'-P energy: -108.418 tors. eta vs tors. theta energy: -218.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2287.757010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.757010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.757010 (E_RNA) where: Base-Base interactions energy: -1524.011 where: short stacking energy: -668.540 Base-Backbone interact. energy: -0.752 local terms energy: -762.993758 where: bonds (distance) C4'-P energy: -150.622 bonds (distance) P-C4' energy: -181.378 flat angles C4'-P-C4' energy: -157.874 flat angles P-C4'-P energy: -114.871 tors. eta vs tors. theta energy: -158.249 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: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1961.688509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.688509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.688509 (E_RNA) where: Base-Base interactions energy: -1238.089 where: short stacking energy: -552.379 Base-Backbone interact. energy: -4.367 local terms energy: -719.232184 where: bonds (distance) C4'-P energy: -153.089 bonds (distance) P-C4' energy: -169.359 flat angles C4'-P-C4' energy: -178.298 flat angles P-C4'-P energy: -100.948 tors. eta vs tors. theta energy: -117.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1734.565256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.565256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.565256 (E_RNA) where: Base-Base interactions energy: -1135.374 where: short stacking energy: -495.634 Base-Backbone interact. energy: 2.808 local terms energy: -601.999529 where: bonds (distance) C4'-P energy: -136.770 bonds (distance) P-C4' energy: -135.587 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -87.380 tors. eta vs tors. theta energy: -98.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1417.078971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.078971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.078971 (E_RNA) where: Base-Base interactions energy: -843.073 where: short stacking energy: -420.424 Base-Backbone interact. energy: 7.987 local terms energy: -581.993538 where: bonds (distance) C4'-P energy: -149.721 bonds (distance) P-C4' energy: -165.111 flat angles C4'-P-C4' energy: -128.105 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: -68.988 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: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -914.433527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.433527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.433527 (E_RNA) where: Base-Base interactions energy: -424.863 where: short stacking energy: -280.791 Base-Backbone interact. energy: -2.012 local terms energy: -487.558015 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -159.295 flat angles C4'-P-C4' energy: -146.015 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: 8.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3202.043752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.043752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.043752 (E_RNA) where: Base-Base interactions energy: -2202.253 where: short stacking energy: -949.349 Base-Backbone interact. energy: -6.664 local terms energy: -993.126240 where: bonds (distance) C4'-P energy: -182.769 bonds (distance) P-C4' energy: -189.419 flat angles C4'-P-C4' energy: -201.970 flat angles P-C4'-P energy: -147.486 tors. eta vs tors. theta energy: -271.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -3078.856817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.856817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.856817 (E_RNA) where: Base-Base interactions energy: -2133.148 where: short stacking energy: -903.389 Base-Backbone interact. energy: -5.205 local terms energy: -940.503853 where: bonds (distance) C4'-P energy: -167.571 bonds (distance) P-C4' energy: -196.975 flat angles C4'-P-C4' energy: -196.094 flat angles P-C4'-P energy: -113.630 tors. eta vs tors. theta energy: -266.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2989.426087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.426087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.426087 (E_RNA) where: Base-Base interactions energy: -2070.838 where: short stacking energy: -864.758 Base-Backbone interact. energy: -2.392 local terms energy: -916.196893 where: bonds (distance) C4'-P energy: -165.808 bonds (distance) P-C4' energy: -171.540 flat angles C4'-P-C4' energy: -199.891 flat angles P-C4'-P energy: -121.247 tors. eta vs tors. theta energy: -257.711 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: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2768.447223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.447223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.447223 (E_RNA) where: Base-Base interactions energy: -1871.721 where: short stacking energy: -836.039 Base-Backbone interact. energy: -1.286 local terms energy: -895.440418 where: bonds (distance) C4'-P energy: -164.706 bonds (distance) P-C4' energy: -162.649 flat angles C4'-P-C4' energy: -203.701 flat angles P-C4'-P energy: -131.458 tors. eta vs tors. theta energy: -232.927 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2715.105595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.105595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.105595 (E_RNA) where: Base-Base interactions energy: -1846.159 where: short stacking energy: -815.791 Base-Backbone interact. energy: -6.065 local terms energy: -862.882127 where: bonds (distance) C4'-P energy: -147.606 bonds (distance) P-C4' energy: -166.259 flat angles C4'-P-C4' energy: -194.288 flat angles P-C4'-P energy: -125.268 tors. eta vs tors. theta energy: -229.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2248.691763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.691763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.691763 (E_RNA) where: Base-Base interactions energy: -1521.679 where: short stacking energy: -656.946 Base-Backbone interact. energy: 6.460 local terms energy: -733.472756 where: bonds (distance) C4'-P energy: -159.751 bonds (distance) P-C4' energy: -168.303 flat angles C4'-P-C4' energy: -143.339 flat angles P-C4'-P energy: -112.892 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: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2043.418409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.418409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.418409 (E_RNA) where: Base-Base interactions energy: -1391.762 where: short stacking energy: -623.484 Base-Backbone interact. energy: -0.047 local terms energy: -651.608647 where: bonds (distance) C4'-P energy: -144.276 bonds (distance) P-C4' energy: -134.789 flat angles C4'-P-C4' energy: -160.171 flat angles P-C4'-P energy: -94.036 tors. eta vs tors. theta energy: -118.337 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: 333 Temperature: 1.250000 Total energy: -1744.620932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.620932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.620932 (E_RNA) where: Base-Base interactions energy: -1127.435 where: short stacking energy: -475.051 Base-Backbone interact. energy: -2.366 local terms energy: -614.819237 where: bonds (distance) C4'-P energy: -143.849 bonds (distance) P-C4' energy: -148.967 flat angles C4'-P-C4' energy: -156.898 flat angles P-C4'-P energy: -99.625 tors. eta vs tors. theta energy: -65.479 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: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1436.481630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.481630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.481630 (E_RNA) where: Base-Base interactions energy: -860.775 where: short stacking energy: -439.822 Base-Backbone interact. energy: 0.902 local terms energy: -576.608406 where: bonds (distance) C4'-P energy: -149.784 bonds (distance) P-C4' energy: -138.370 flat angles C4'-P-C4' energy: -146.232 flat angles P-C4'-P energy: -85.427 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: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -921.087034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.087034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.087034 (E_RNA) where: Base-Base interactions energy: -428.806 where: short stacking energy: -261.240 Base-Backbone interact. energy: 1.471 local terms energy: -493.752157 where: bonds (distance) C4'-P energy: -145.196 bonds (distance) P-C4' energy: -136.895 flat angles C4'-P-C4' energy: -129.260 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: 3.504 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: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3186.776820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.776820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.776820 (E_RNA) where: Base-Base interactions energy: -2172.000 where: short stacking energy: -966.986 Base-Backbone interact. energy: -3.843 local terms energy: -1010.933930 where: bonds (distance) C4'-P energy: -185.511 bonds (distance) P-C4' energy: -184.184 flat angles C4'-P-C4' energy: -221.282 flat angles P-C4'-P energy: -142.538 tors. eta vs tors. theta energy: -277.419 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: 334 Temperature: 0.950000 Total energy: -3083.548901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.548901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.548901 (E_RNA) where: Base-Base interactions energy: -2107.115 where: short stacking energy: -882.294 Base-Backbone interact. energy: -3.885 local terms energy: -972.549198 where: bonds (distance) C4'-P energy: -170.108 bonds (distance) P-C4' energy: -189.621 flat angles C4'-P-C4' energy: -217.266 flat angles P-C4'-P energy: -126.581 tors. eta vs tors. theta energy: -268.973 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: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2984.084898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.084898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.084898 (E_RNA) where: Base-Base interactions energy: -2075.933 where: short stacking energy: -881.351 Base-Backbone interact. energy: -4.261 local terms energy: -903.890847 where: bonds (distance) C4'-P energy: -180.261 bonds (distance) P-C4' energy: -164.764 flat angles C4'-P-C4' energy: -192.420 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -252.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2805.312690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.312690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.312690 (E_RNA) where: Base-Base interactions energy: -1930.324 where: short stacking energy: -835.793 Base-Backbone interact. energy: -4.901 local terms energy: -870.087033 where: bonds (distance) C4'-P energy: -147.987 bonds (distance) P-C4' energy: -162.590 flat angles C4'-P-C4' energy: -197.169 flat angles P-C4'-P energy: -130.961 tors. eta vs tors. theta energy: -231.379 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: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2684.137515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.137515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.137515 (E_RNA) where: Base-Base interactions energy: -1863.659 where: short stacking energy: -854.240 Base-Backbone interact. energy: -4.360 local terms energy: -816.118558 where: bonds (distance) C4'-P energy: -151.309 bonds (distance) P-C4' energy: -158.247 flat angles C4'-P-C4' energy: -173.003 flat angles P-C4'-P energy: -118.363 tors. eta vs tors. theta energy: -215.196 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: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2242.161456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.161456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.161456 (E_RNA) where: Base-Base interactions energy: -1480.606 where: short stacking energy: -688.005 Base-Backbone interact. energy: -2.585 local terms energy: -758.970866 where: bonds (distance) C4'-P energy: -153.303 bonds (distance) P-C4' energy: -156.048 flat angles C4'-P-C4' energy: -169.789 flat angles P-C4'-P energy: -123.040 tors. eta vs tors. theta energy: -156.791 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: 334 Temperature: 1.200000 Total energy: -2046.861579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.861579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.861579 (E_RNA) where: Base-Base interactions energy: -1369.585 where: short stacking energy: -642.493 Base-Backbone interact. energy: -5.675 local terms energy: -671.601448 where: bonds (distance) C4'-P energy: -138.594 bonds (distance) P-C4' energy: -148.556 flat angles C4'-P-C4' energy: -171.718 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: -128.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1749.011410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.011410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.011410 (E_RNA) where: Base-Base interactions energy: -1116.638 where: short stacking energy: -519.938 Base-Backbone interact. energy: -4.629 local terms energy: -627.743995 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -160.321 flat angles C4'-P-C4' energy: -149.646 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -92.750 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1507.749928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.749928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.749928 (E_RNA) where: Base-Base interactions energy: -942.910 where: short stacking energy: -443.917 Base-Backbone interact. energy: -2.613 local terms energy: -562.226266 where: bonds (distance) C4'-P energy: -126.688 bonds (distance) P-C4' energy: -165.296 flat angles C4'-P-C4' energy: -130.717 flat angles P-C4'-P energy: -68.069 tors. eta vs tors. theta energy: -71.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -933.939062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.939062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.939062 (E_RNA) where: Base-Base interactions energy: -488.885 where: short stacking energy: -280.331 Base-Backbone interact. energy: 1.811 local terms energy: -446.865063 where: bonds (distance) C4'-P energy: -142.304 bonds (distance) P-C4' energy: -154.352 flat angles C4'-P-C4' energy: -104.889 flat angles P-C4'-P energy: -60.417 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: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3215.362427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.362427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.362427 (E_RNA) where: Base-Base interactions energy: -2232.567 where: short stacking energy: -951.960 Base-Backbone interact. energy: -6.804 local terms energy: -975.992102 where: bonds (distance) C4'-P energy: -167.836 bonds (distance) P-C4' energy: -183.535 flat angles C4'-P-C4' energy: -202.018 flat angles P-C4'-P energy: -151.168 tors. eta vs tors. theta energy: -271.435 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: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -3096.123344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.123344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.123344 (E_RNA) where: Base-Base interactions energy: -2146.476 where: short stacking energy: -920.701 Base-Backbone interact. energy: -2.405 local terms energy: -947.241894 where: bonds (distance) C4'-P energy: -177.843 bonds (distance) P-C4' energy: -189.284 flat angles C4'-P-C4' energy: -185.757 flat angles P-C4'-P energy: -131.231 tors. eta vs tors. theta energy: -263.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2980.427837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.427837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.427837 (E_RNA) where: Base-Base interactions energy: -2078.951 where: short stacking energy: -869.577 Base-Backbone interact. energy: -6.334 local terms energy: -895.143199 where: bonds (distance) C4'-P energy: -163.807 bonds (distance) P-C4' energy: -179.986 flat angles C4'-P-C4' energy: -201.140 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -241.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2780.111559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.111559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.111559 (E_RNA) where: Base-Base interactions energy: -1873.135 where: short stacking energy: -831.797 Base-Backbone interact. energy: -0.578 local terms energy: -906.398038 where: bonds (distance) C4'-P energy: -165.027 bonds (distance) P-C4' energy: -192.074 flat angles C4'-P-C4' energy: -185.790 flat angles P-C4'-P energy: -145.529 tors. eta vs tors. theta energy: -217.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2700.330456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.330456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.330456 (E_RNA) where: Base-Base interactions energy: -1869.906 where: short stacking energy: -801.602 Base-Backbone interact. energy: -1.053 local terms energy: -829.372200 where: bonds (distance) C4'-P energy: -152.881 bonds (distance) P-C4' energy: -174.636 flat angles C4'-P-C4' energy: -188.258 flat angles P-C4'-P energy: -103.761 tors. eta vs tors. theta energy: -209.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2204.593605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.593605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.593605 (E_RNA) where: Base-Base interactions energy: -1446.988 where: short stacking energy: -641.453 Base-Backbone interact. energy: -0.382 local terms energy: -757.223426 where: bonds (distance) C4'-P energy: -151.646 bonds (distance) P-C4' energy: -170.821 flat angles C4'-P-C4' energy: -175.692 flat angles P-C4'-P energy: -111.552 tors. eta vs tors. theta energy: -147.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2079.549220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.549220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.549220 (E_RNA) where: Base-Base interactions energy: -1359.309 where: short stacking energy: -597.240 Base-Backbone interact. energy: 1.505 local terms energy: -721.745835 where: bonds (distance) C4'-P energy: -152.371 bonds (distance) P-C4' energy: -152.644 flat angles C4'-P-C4' energy: -173.493 flat angles P-C4'-P energy: -105.305 tors. eta vs tors. theta energy: -137.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1826.347379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.347379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.347379 (E_RNA) where: Base-Base interactions energy: -1194.226 where: short stacking energy: -558.732 Base-Backbone interact. energy: 6.081 local terms energy: -638.202895 where: bonds (distance) C4'-P energy: -142.874 bonds (distance) P-C4' energy: -154.667 flat angles C4'-P-C4' energy: -148.138 flat angles P-C4'-P energy: -89.169 tors. eta vs tors. theta energy: -103.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1498.395702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.395702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.395702 (E_RNA) where: Base-Base interactions energy: -907.082 where: short stacking energy: -450.093 Base-Backbone interact. energy: -3.429 local terms energy: -587.885124 where: bonds (distance) C4'-P energy: -138.898 bonds (distance) P-C4' energy: -140.763 flat angles C4'-P-C4' energy: -145.811 flat angles P-C4'-P energy: -109.635 tors. eta vs tors. theta energy: -52.779 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: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -933.446182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.446182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.446182 (E_RNA) where: Base-Base interactions energy: -446.530 where: short stacking energy: -287.887 Base-Backbone interact. energy: 6.340 local terms energy: -493.256802 where: bonds (distance) C4'-P energy: -145.680 bonds (distance) P-C4' energy: -164.318 flat angles C4'-P-C4' energy: -140.874 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: 26.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3216.620233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.620233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.620233 (E_RNA) where: Base-Base interactions energy: -2233.352 where: short stacking energy: -974.798 Base-Backbone interact. energy: 0.666 local terms energy: -983.933870 where: bonds (distance) C4'-P energy: -159.348 bonds (distance) P-C4' energy: -182.953 flat angles C4'-P-C4' energy: -214.246 flat angles P-C4'-P energy: -150.734 tors. eta vs tors. theta energy: -276.653 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: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -3115.405966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.405966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.405966 (E_RNA) where: Base-Base interactions energy: -2151.289 where: short stacking energy: -910.369 Base-Backbone interact. energy: -5.961 local terms energy: -958.155240 where: bonds (distance) C4'-P energy: -165.674 bonds (distance) P-C4' energy: -190.329 flat angles C4'-P-C4' energy: -208.290 flat angles P-C4'-P energy: -112.128 tors. eta vs tors. theta energy: -281.733 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: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2959.817195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.817195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.817195 (E_RNA) where: Base-Base interactions energy: -2047.678 where: short stacking energy: -870.565 Base-Backbone interact. energy: -3.314 local terms energy: -908.824946 where: bonds (distance) C4'-P energy: -185.648 bonds (distance) P-C4' energy: -157.763 flat angles C4'-P-C4' energy: -190.795 flat angles P-C4'-P energy: -129.425 tors. eta vs tors. theta energy: -245.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2733.281275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.281275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.281275 (E_RNA) where: Base-Base interactions energy: -1856.864 where: short stacking energy: -843.590 Base-Backbone interact. energy: -4.501 local terms energy: -871.916643 where: bonds (distance) C4'-P energy: -150.198 bonds (distance) P-C4' energy: -174.336 flat angles C4'-P-C4' energy: -200.151 flat angles P-C4'-P energy: -124.587 tors. eta vs tors. theta energy: -222.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2638.478161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.478161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.478161 (E_RNA) where: Base-Base interactions energy: -1806.013 where: short stacking energy: -811.208 Base-Backbone interact. energy: -2.848 local terms energy: -829.616533 where: bonds (distance) C4'-P energy: -151.384 bonds (distance) P-C4' energy: -145.310 flat angles C4'-P-C4' energy: -201.435 flat angles P-C4'-P energy: -114.446 tors. eta vs tors. theta energy: -217.042 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: 6, replica: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2234.168148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.168148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.168148 (E_RNA) where: Base-Base interactions energy: -1479.881 where: short stacking energy: -663.201 Base-Backbone interact. energy: 1.375 local terms energy: -755.661870 where: bonds (distance) C4'-P energy: -161.906 bonds (distance) P-C4' energy: -168.461 flat angles C4'-P-C4' energy: -165.789 flat angles P-C4'-P energy: -107.104 tors. eta vs tors. theta energy: -152.402 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: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2058.947993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.947993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.947993 (E_RNA) where: Base-Base interactions energy: -1366.977 where: short stacking energy: -590.321 Base-Backbone interact. energy: 2.902 local terms energy: -694.872962 where: bonds (distance) C4'-P energy: -151.358 bonds (distance) P-C4' energy: -173.282 flat angles C4'-P-C4' energy: -165.356 flat angles P-C4'-P energy: -90.917 tors. eta vs tors. theta energy: -113.959 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: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1908.479742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.479742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.479742 (E_RNA) where: Base-Base interactions energy: -1214.668 where: short stacking energy: -559.207 Base-Backbone interact. energy: -5.684 local terms energy: -688.128112 where: bonds (distance) C4'-P energy: -155.376 bonds (distance) P-C4' energy: -171.784 flat angles C4'-P-C4' energy: -166.016 flat angles P-C4'-P energy: -86.395 tors. eta vs tors. theta energy: -108.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1513.710312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.710312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.710312 (E_RNA) where: Base-Base interactions energy: -974.310 where: short stacking energy: -442.925 Base-Backbone interact. energy: 3.198 local terms energy: -542.597767 where: bonds (distance) C4'-P energy: -127.347 bonds (distance) P-C4' energy: -158.269 flat angles C4'-P-C4' energy: -136.526 flat angles P-C4'-P energy: -71.126 tors. eta vs tors. theta energy: -49.330 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: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -902.258511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.258511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.258511 (E_RNA) where: Base-Base interactions energy: -395.004 where: short stacking energy: -236.014 Base-Backbone interact. energy: 1.615 local terms energy: -508.869454 where: bonds (distance) C4'-P energy: -160.914 bonds (distance) P-C4' energy: -144.740 flat angles C4'-P-C4' energy: -134.399 flat angles P-C4'-P energy: -92.367 tors. eta vs tors. theta energy: 23.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3172.388222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.388222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.388222 (E_RNA) where: Base-Base interactions energy: -2181.998 where: short stacking energy: -949.406 Base-Backbone interact. energy: -4.989 local terms energy: -985.401107 where: bonds (distance) C4'-P energy: -184.039 bonds (distance) P-C4' energy: -190.473 flat angles C4'-P-C4' energy: -210.799 flat angles P-C4'-P energy: -139.649 tors. eta vs tors. theta energy: -260.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -3090.488728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.488728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.488728 (E_RNA) where: Base-Base interactions energy: -2116.430 where: short stacking energy: -921.514 Base-Backbone interact. energy: -0.894 local terms energy: -973.164405 where: bonds (distance) C4'-P energy: -169.441 bonds (distance) P-C4' energy: -207.686 flat angles C4'-P-C4' energy: -197.479 flat angles P-C4'-P energy: -126.648 tors. eta vs tors. theta energy: -271.910 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: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2989.699811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.699811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.699811 (E_RNA) where: Base-Base interactions energy: -2065.928 where: short stacking energy: -873.805 Base-Backbone interact. energy: -2.133 local terms energy: -921.639099 where: bonds (distance) C4'-P energy: -163.980 bonds (distance) P-C4' energy: -182.939 flat angles C4'-P-C4' energy: -200.896 flat angles P-C4'-P energy: -134.509 tors. eta vs tors. theta energy: -239.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2804.545749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.545749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.545749 (E_RNA) where: Base-Base interactions energy: -1885.701 where: short stacking energy: -804.505 Base-Backbone interact. energy: -0.766 local terms energy: -918.079034 where: bonds (distance) C4'-P energy: -171.404 bonds (distance) P-C4' energy: -175.643 flat angles C4'-P-C4' energy: -196.251 flat angles P-C4'-P energy: -131.064 tors. eta vs tors. theta energy: -243.717 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: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2674.240994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.240994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.240994 (E_RNA) where: Base-Base interactions energy: -1828.087 where: short stacking energy: -781.916 Base-Backbone interact. energy: -6.357 local terms energy: -839.797046 where: bonds (distance) C4'-P energy: -154.663 bonds (distance) P-C4' energy: -157.262 flat angles C4'-P-C4' energy: -183.455 flat angles P-C4'-P energy: -123.360 tors. eta vs tors. theta energy: -221.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2253.500021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.500021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.500021 (E_RNA) where: Base-Base interactions energy: -1494.435 where: short stacking energy: -672.581 Base-Backbone interact. energy: 0.152 local terms energy: -759.217105 where: bonds (distance) C4'-P energy: -152.898 bonds (distance) P-C4' energy: -148.534 flat angles C4'-P-C4' energy: -173.174 flat angles P-C4'-P energy: -119.973 tors. eta vs tors. theta energy: -164.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2047.787213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.787213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.787213 (E_RNA) where: Base-Base interactions energy: -1360.945 where: short stacking energy: -590.012 Base-Backbone interact. energy: -3.703 local terms energy: -683.139108 where: bonds (distance) C4'-P energy: -150.110 bonds (distance) P-C4' energy: -162.523 flat angles C4'-P-C4' energy: -174.149 flat angles P-C4'-P energy: -84.093 tors. eta vs tors. theta energy: -112.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1818.264963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.264963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.264963 (E_RNA) where: Base-Base interactions energy: -1193.751 where: short stacking energy: -535.996 Base-Backbone interact. energy: 10.751 local terms energy: -635.265174 where: bonds (distance) C4'-P energy: -132.228 bonds (distance) P-C4' energy: -167.720 flat angles C4'-P-C4' energy: -139.007 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -105.726 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: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1502.088493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.088493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.088493 (E_RNA) where: Base-Base interactions energy: -868.306 where: short stacking energy: -454.274 Base-Backbone interact. energy: -2.029 local terms energy: -631.753810 where: bonds (distance) C4'-P energy: -155.253 bonds (distance) P-C4' energy: -147.691 flat angles C4'-P-C4' energy: -141.858 flat angles P-C4'-P energy: -102.273 tors. eta vs tors. theta energy: -84.680 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: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -983.249542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.249542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.249542 (E_RNA) where: Base-Base interactions energy: -517.208 where: short stacking energy: -301.163 Base-Backbone interact. energy: 4.580 local terms energy: -470.622182 where: bonds (distance) C4'-P energy: -132.045 bonds (distance) P-C4' energy: -151.861 flat angles C4'-P-C4' energy: -123.200 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3178.816276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.816276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.816276 (E_RNA) where: Base-Base interactions energy: -2208.081 where: short stacking energy: -927.412 Base-Backbone interact. energy: -5.242 local terms energy: -965.493082 where: bonds (distance) C4'-P energy: -165.803 bonds (distance) P-C4' energy: -189.290 flat angles C4'-P-C4' energy: -206.107 flat angles P-C4'-P energy: -149.256 tors. eta vs tors. theta energy: -255.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -3090.588347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.588347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.588347 (E_RNA) where: Base-Base interactions energy: -2108.229 where: short stacking energy: -890.304 Base-Backbone interact. energy: -4.474 local terms energy: -977.885577 where: bonds (distance) C4'-P energy: -180.995 bonds (distance) P-C4' energy: -187.277 flat angles C4'-P-C4' energy: -203.996 flat angles P-C4'-P energy: -132.056 tors. eta vs tors. theta energy: -273.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2960.524035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.524035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.524035 (E_RNA) where: Base-Base interactions energy: -2056.222 where: short stacking energy: -884.432 Base-Backbone interact. energy: -2.234 local terms energy: -902.067641 where: bonds (distance) C4'-P energy: -163.459 bonds (distance) P-C4' energy: -156.045 flat angles C4'-P-C4' energy: -209.879 flat angles P-C4'-P energy: -127.069 tors. eta vs tors. theta energy: -245.615 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: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2821.120260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.120260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.120260 (E_RNA) where: Base-Base interactions energy: -1941.198 where: short stacking energy: -860.574 Base-Backbone interact. energy: 0.677 local terms energy: -880.600170 where: bonds (distance) C4'-P energy: -161.436 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -192.567 flat angles P-C4'-P energy: -121.837 tors. eta vs tors. theta energy: -237.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2667.610041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.610041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.610041 (E_RNA) where: Base-Base interactions energy: -1854.866 where: short stacking energy: -824.964 Base-Backbone interact. energy: -3.782 local terms energy: -808.961617 where: bonds (distance) C4'-P energy: -150.246 bonds (distance) P-C4' energy: -169.422 flat angles C4'-P-C4' energy: -161.808 flat angles P-C4'-P energy: -115.541 tors. eta vs tors. theta energy: -211.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2264.209287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.209287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.209287 (E_RNA) where: Base-Base interactions energy: -1488.512 where: short stacking energy: -693.597 Base-Backbone interact. energy: 0.018 local terms energy: -775.715023 where: bonds (distance) C4'-P energy: -161.201 bonds (distance) P-C4' energy: -156.175 flat angles C4'-P-C4' energy: -180.218 flat angles P-C4'-P energy: -101.044 tors. eta vs tors. theta energy: -177.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2036.482281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.482281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.482281 (E_RNA) where: Base-Base interactions energy: -1348.311 where: short stacking energy: -577.415 Base-Backbone interact. energy: -4.366 local terms energy: -683.805058 where: bonds (distance) C4'-P energy: -156.765 bonds (distance) P-C4' energy: -148.099 flat angles C4'-P-C4' energy: -162.760 flat angles P-C4'-P energy: -98.645 tors. eta vs tors. theta energy: -117.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1812.194044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.194044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.194044 (E_RNA) where: Base-Base interactions energy: -1179.073 where: short stacking energy: -531.701 Base-Backbone interact. energy: 6.761 local terms energy: -639.881855 where: bonds (distance) C4'-P energy: -149.788 bonds (distance) P-C4' energy: -147.380 flat angles C4'-P-C4' energy: -138.411 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -112.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1491.471414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.471414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.471414 (E_RNA) where: Base-Base interactions energy: -849.060 where: short stacking energy: -411.498 Base-Backbone interact. energy: -2.887 local terms energy: -639.524320 where: bonds (distance) C4'-P energy: -173.952 bonds (distance) P-C4' energy: -175.105 flat angles C4'-P-C4' energy: -149.506 flat angles P-C4'-P energy: -84.118 tors. eta vs tors. theta energy: -56.844 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: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -961.228060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.228060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.228060 (E_RNA) where: Base-Base interactions energy: -498.463 where: short stacking energy: -290.349 Base-Backbone interact. energy: -3.139 local terms energy: -459.625768 where: bonds (distance) C4'-P energy: -149.177 bonds (distance) P-C4' energy: -137.880 flat angles C4'-P-C4' energy: -115.364 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: 12.894 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3174.690899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.690899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.690899 (E_RNA) where: Base-Base interactions energy: -2209.142 where: short stacking energy: -963.960 Base-Backbone interact. energy: -1.900 local terms energy: -963.648820 where: bonds (distance) C4'-P energy: -171.180 bonds (distance) P-C4' energy: -174.978 flat angles C4'-P-C4' energy: -208.956 flat angles P-C4'-P energy: -132.272 tors. eta vs tors. theta energy: -276.263 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: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -3099.221534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.221534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.221534 (E_RNA) where: Base-Base interactions energy: -2120.186 where: short stacking energy: -910.077 Base-Backbone interact. energy: -3.127 local terms energy: -975.908537 where: bonds (distance) C4'-P energy: -178.958 bonds (distance) P-C4' energy: -185.285 flat angles C4'-P-C4' energy: -207.735 flat angles P-C4'-P energy: -134.785 tors. eta vs tors. theta energy: -269.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2975.432077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.432077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.432077 (E_RNA) where: Base-Base interactions energy: -2036.127 where: short stacking energy: -889.555 Base-Backbone interact. energy: -6.291 local terms energy: -933.014288 where: bonds (distance) C4'-P energy: -166.946 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -207.018 flat angles P-C4'-P energy: -119.192 tors. eta vs tors. theta energy: -273.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2813.021574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.021574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.021574 (E_RNA) where: Base-Base interactions energy: -1876.316 where: short stacking energy: -848.424 Base-Backbone interact. energy: -4.946 local terms energy: -931.759824 where: bonds (distance) C4'-P energy: -182.288 bonds (distance) P-C4' energy: -165.003 flat angles C4'-P-C4' energy: -198.630 flat angles P-C4'-P energy: -134.867 tors. eta vs tors. theta energy: -250.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2631.693338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.693338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.693338 (E_RNA) where: Base-Base interactions energy: -1822.620 where: short stacking energy: -792.475 Base-Backbone interact. energy: -4.279 local terms energy: -804.794115 where: bonds (distance) C4'-P energy: -136.495 bonds (distance) P-C4' energy: -175.759 flat angles C4'-P-C4' energy: -174.602 flat angles P-C4'-P energy: -108.241 tors. eta vs tors. theta energy: -209.698 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: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2308.932829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.932829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.932829 (E_RNA) where: Base-Base interactions energy: -1545.077 where: short stacking energy: -704.970 Base-Backbone interact. energy: -1.618 local terms energy: -762.238145 where: bonds (distance) C4'-P energy: -136.663 bonds (distance) P-C4' energy: -147.726 flat angles C4'-P-C4' energy: -176.802 flat angles P-C4'-P energy: -105.513 tors. eta vs tors. theta energy: -195.534 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: 339 Temperature: 1.200000 Total energy: -1987.643452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.643452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.643452 (E_RNA) where: Base-Base interactions energy: -1302.404 where: short stacking energy: -561.282 Base-Backbone interact. energy: -2.391 local terms energy: -682.847687 where: bonds (distance) C4'-P energy: -130.210 bonds (distance) P-C4' energy: -138.215 flat angles C4'-P-C4' energy: -174.924 flat angles P-C4'-P energy: -115.478 tors. eta vs tors. theta energy: -124.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1814.812685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.812685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.812685 (E_RNA) where: Base-Base interactions energy: -1155.296 where: short stacking energy: -528.089 Base-Backbone interact. energy: 0.512 local terms energy: -660.028022 where: bonds (distance) C4'-P energy: -146.514 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -167.116 flat angles P-C4'-P energy: -87.997 tors. eta vs tors. theta energy: -90.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1556.676805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.676805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.676805 (E_RNA) where: Base-Base interactions energy: -970.826 where: short stacking energy: -479.252 Base-Backbone interact. energy: 0.111 local terms energy: -585.962291 where: bonds (distance) C4'-P energy: -137.178 bonds (distance) P-C4' energy: -156.504 flat angles C4'-P-C4' energy: -145.581 flat angles P-C4'-P energy: -87.193 tors. eta vs tors. theta energy: -59.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1012.851667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.851667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.851667 (E_RNA) where: Base-Base interactions energy: -529.472 where: short stacking energy: -304.070 Base-Backbone interact. energy: 1.541 local terms energy: -484.920292 where: bonds (distance) C4'-P energy: -148.857 bonds (distance) P-C4' energy: -135.285 flat angles C4'-P-C4' energy: -122.209 flat angles P-C4'-P energy: -70.505 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3228.673958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.673958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.673958 (E_RNA) where: Base-Base interactions energy: -2237.355 where: short stacking energy: -960.562 Base-Backbone interact. energy: -0.171 local terms energy: -991.147696 where: bonds (distance) C4'-P energy: -174.619 bonds (distance) P-C4' energy: -183.877 flat angles C4'-P-C4' energy: -206.053 flat angles P-C4'-P energy: -144.872 tors. eta vs tors. theta energy: -281.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3084.079815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.079815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.079815 (E_RNA) where: Base-Base interactions energy: -2133.177 where: short stacking energy: -930.049 Base-Backbone interact. energy: -5.928 local terms energy: -944.974197 where: bonds (distance) C4'-P energy: -171.278 bonds (distance) P-C4' energy: -182.122 flat angles C4'-P-C4' energy: -197.348 flat angles P-C4'-P energy: -128.238 tors. eta vs tors. theta energy: -265.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2955.783529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.783529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.783529 (E_RNA) where: Base-Base interactions energy: -2012.631 where: short stacking energy: -864.408 Base-Backbone interact. energy: -4.486 local terms energy: -938.666644 where: bonds (distance) C4'-P energy: -167.935 bonds (distance) P-C4' energy: -195.952 flat angles C4'-P-C4' energy: -211.457 flat angles P-C4'-P energy: -117.518 tors. eta vs tors. theta energy: -245.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2800.795320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.795320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.795320 (E_RNA) where: Base-Base interactions energy: -1909.481 where: short stacking energy: -816.014 Base-Backbone interact. energy: -2.171 local terms energy: -889.142983 where: bonds (distance) C4'-P energy: -177.295 bonds (distance) P-C4' energy: -164.272 flat angles C4'-P-C4' energy: -180.164 flat angles P-C4'-P energy: -144.146 tors. eta vs tors. theta energy: -223.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2744.454409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.454409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.454409 (E_RNA) where: Base-Base interactions energy: -1875.145 where: short stacking energy: -842.057 Base-Backbone interact. energy: 2.877 local terms energy: -872.186364 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -174.693 flat angles C4'-P-C4' energy: -170.491 flat angles P-C4'-P energy: -139.417 tors. eta vs tors. theta energy: -239.835 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: 340 Temperature: 1.150000 Total energy: -2310.422966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.422966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.422966 (E_RNA) where: Base-Base interactions energy: -1525.524 where: short stacking energy: -680.413 Base-Backbone interact. energy: -1.617 local terms energy: -783.281904 where: bonds (distance) C4'-P energy: -154.387 bonds (distance) P-C4' energy: -161.537 flat angles C4'-P-C4' energy: -183.865 flat angles P-C4'-P energy: -106.376 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: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2027.287097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.287097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.287097 (E_RNA) where: Base-Base interactions energy: -1334.026 where: short stacking energy: -608.100 Base-Backbone interact. energy: -2.504 local terms energy: -690.756345 where: bonds (distance) C4'-P energy: -153.609 bonds (distance) P-C4' energy: -135.405 flat angles C4'-P-C4' energy: -157.431 flat angles P-C4'-P energy: -107.699 tors. eta vs tors. theta energy: -136.613 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: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1784.373010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.373010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.373010 (E_RNA) where: Base-Base interactions energy: -1107.714 where: short stacking energy: -514.910 Base-Backbone interact. energy: 4.060 local terms energy: -680.719111 where: bonds (distance) C4'-P energy: -128.919 bonds (distance) P-C4' energy: -162.550 flat angles C4'-P-C4' energy: -169.211 flat angles P-C4'-P energy: -108.591 tors. eta vs tors. theta energy: -111.448 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: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1399.271292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.271292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.271292 (E_RNA) where: Base-Base interactions energy: -848.161 where: short stacking energy: -443.266 Base-Backbone interact. energy: -3.937 local terms energy: -547.173783 where: bonds (distance) C4'-P energy: -138.270 bonds (distance) P-C4' energy: -164.117 flat angles C4'-P-C4' energy: -129.121 flat angles P-C4'-P energy: -63.641 tors. eta vs tors. theta energy: -52.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1102.427037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.427037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.427037 (E_RNA) where: Base-Base interactions energy: -598.216 where: short stacking energy: -335.963 Base-Backbone interact. energy: 3.734 local terms energy: -507.944659 where: bonds (distance) C4'-P energy: -143.868 bonds (distance) P-C4' energy: -154.470 flat angles C4'-P-C4' energy: -122.566 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -31.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3240.695525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.695525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.695525 (E_RNA) where: Base-Base interactions energy: -2241.201 where: short stacking energy: -995.289 Base-Backbone interact. energy: -2.181 local terms energy: -997.312869 where: bonds (distance) C4'-P energy: -183.085 bonds (distance) P-C4' energy: -199.417 flat angles C4'-P-C4' energy: -208.449 flat angles P-C4'-P energy: -134.783 tors. eta vs tors. theta energy: -271.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3122.549452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.549452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.549452 (E_RNA) where: Base-Base interactions energy: -2137.036 where: short stacking energy: -940.433 Base-Backbone interact. energy: -7.055 local terms energy: -978.458839 where: bonds (distance) C4'-P energy: -178.298 bonds (distance) P-C4' energy: -180.939 flat angles C4'-P-C4' energy: -196.669 flat angles P-C4'-P energy: -139.082 tors. eta vs tors. theta energy: -283.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2945.161990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.161990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.161990 (E_RNA) where: Base-Base interactions energy: -2038.883 where: short stacking energy: -877.154 Base-Backbone interact. energy: 0.115 local terms energy: -906.393642 where: bonds (distance) C4'-P energy: -166.279 bonds (distance) P-C4' energy: -167.825 flat angles C4'-P-C4' energy: -194.628 flat angles P-C4'-P energy: -128.485 tors. eta vs tors. theta energy: -249.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2808.061672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.061672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.061672 (E_RNA) where: Base-Base interactions energy: -1942.061 where: short stacking energy: -848.689 Base-Backbone interact. energy: 0.003 local terms energy: -866.002967 where: bonds (distance) C4'-P energy: -171.690 bonds (distance) P-C4' energy: -167.111 flat angles C4'-P-C4' energy: -179.587 flat angles P-C4'-P energy: -106.159 tors. eta vs tors. theta energy: -241.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2560.766545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.766545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.766545 (E_RNA) where: Base-Base interactions energy: -1750.089 where: short stacking energy: -774.987 Base-Backbone interact. energy: 1.261 local terms energy: -811.938269 where: bonds (distance) C4'-P energy: -147.031 bonds (distance) P-C4' energy: -154.521 flat angles C4'-P-C4' energy: -191.142 flat angles P-C4'-P energy: -115.724 tors. eta vs tors. theta energy: -203.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2299.666708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.666708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.666708 (E_RNA) where: Base-Base interactions energy: -1529.403 where: short stacking energy: -656.494 Base-Backbone interact. energy: 0.492 local terms energy: -770.755467 where: bonds (distance) C4'-P energy: -155.853 bonds (distance) P-C4' energy: -162.712 flat angles C4'-P-C4' energy: -165.395 flat angles P-C4'-P energy: -122.206 tors. eta vs tors. theta energy: -164.589 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: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2032.487499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.487499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.487499 (E_RNA) where: Base-Base interactions energy: -1295.178 where: short stacking energy: -613.158 Base-Backbone interact. energy: 4.726 local terms energy: -742.035275 where: bonds (distance) C4'-P energy: -175.776 bonds (distance) P-C4' energy: -155.225 flat angles C4'-P-C4' energy: -162.221 flat angles P-C4'-P energy: -113.754 tors. eta vs tors. theta energy: -135.060 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1767.971359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.971359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.971359 (E_RNA) where: Base-Base interactions energy: -1133.300 where: short stacking energy: -540.348 Base-Backbone interact. energy: -0.861 local terms energy: -633.810099 where: bonds (distance) C4'-P energy: -135.126 bonds (distance) P-C4' energy: -132.676 flat angles C4'-P-C4' energy: -144.772 flat angles P-C4'-P energy: -102.681 tors. eta vs tors. theta energy: -118.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1447.269053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.269053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.269053 (E_RNA) where: Base-Base interactions energy: -866.911 where: short stacking energy: -427.471 Base-Backbone interact. energy: -3.600 local terms energy: -576.757975 where: bonds (distance) C4'-P energy: -151.161 bonds (distance) P-C4' energy: -151.083 flat angles C4'-P-C4' energy: -143.404 flat angles P-C4'-P energy: -71.664 tors. eta vs tors. theta energy: -59.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1065.063192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.063192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.063192 (E_RNA) where: Base-Base interactions energy: -557.498 where: short stacking energy: -318.066 Base-Backbone interact. energy: -1.206 local terms energy: -506.358746 where: bonds (distance) C4'-P energy: -141.185 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -77.526 tors. eta vs tors. theta energy: -8.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3229.442060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.442060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.442060 (E_RNA) where: Base-Base interactions energy: -2220.333 where: short stacking energy: -945.211 Base-Backbone interact. energy: -4.870 local terms energy: -1004.239511 where: bonds (distance) C4'-P energy: -195.026 bonds (distance) P-C4' energy: -185.837 flat angles C4'-P-C4' energy: -218.645 flat angles P-C4'-P energy: -133.423 tors. eta vs tors. theta energy: -271.308 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: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -3150.823635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.823635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.823635 (E_RNA) where: Base-Base interactions energy: -2190.786 where: short stacking energy: -944.911 Base-Backbone interact. energy: -2.636 local terms energy: -957.401609 where: bonds (distance) C4'-P energy: -164.643 bonds (distance) P-C4' energy: -176.340 flat angles C4'-P-C4' energy: -197.823 flat angles P-C4'-P energy: -144.552 tors. eta vs tors. theta energy: -274.044 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: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2927.164798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.164798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.164798 (E_RNA) where: Base-Base interactions energy: -2007.953 where: short stacking energy: -863.221 Base-Backbone interact. energy: -4.027 local terms energy: -915.184653 where: bonds (distance) C4'-P energy: -186.308 bonds (distance) P-C4' energy: -174.242 flat angles C4'-P-C4' energy: -195.594 flat angles P-C4'-P energy: -103.809 tors. eta vs tors. theta energy: -255.232 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: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2785.180848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.180848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.180848 (E_RNA) where: Base-Base interactions energy: -1862.528 where: short stacking energy: -862.194 Base-Backbone interact. energy: -4.599 local terms energy: -918.053843 where: bonds (distance) C4'-P energy: -182.606 bonds (distance) P-C4' energy: -177.740 flat angles C4'-P-C4' energy: -198.697 flat angles P-C4'-P energy: -119.455 tors. eta vs tors. theta energy: -239.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2651.780736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.780736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.780736 (E_RNA) where: Base-Base interactions energy: -1808.436 where: short stacking energy: -821.548 Base-Backbone interact. energy: -7.967 local terms energy: -835.377834 where: bonds (distance) C4'-P energy: -159.629 bonds (distance) P-C4' energy: -154.172 flat angles C4'-P-C4' energy: -182.535 flat angles P-C4'-P energy: -113.471 tors. eta vs tors. theta energy: -225.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2303.364671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.364671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.364671 (E_RNA) where: Base-Base interactions energy: -1578.301 where: short stacking energy: -703.474 Base-Backbone interact. energy: -2.797 local terms energy: -722.267358 where: bonds (distance) C4'-P energy: -157.506 bonds (distance) P-C4' energy: -149.275 flat angles C4'-P-C4' energy: -164.455 flat angles P-C4'-P energy: -91.499 tors. eta vs tors. theta energy: -159.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1936.896227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.896227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.896227 (E_RNA) where: Base-Base interactions energy: -1275.717 where: short stacking energy: -559.594 Base-Backbone interact. energy: -2.106 local terms energy: -659.072826 where: bonds (distance) C4'-P energy: -132.782 bonds (distance) P-C4' energy: -153.092 flat angles C4'-P-C4' energy: -166.772 flat angles P-C4'-P energy: -79.714 tors. eta vs tors. theta energy: -126.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1756.310537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.310537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.310537 (E_RNA) where: Base-Base interactions energy: -1125.160 where: short stacking energy: -503.039 Base-Backbone interact. energy: -3.066 local terms energy: -628.085208 where: bonds (distance) C4'-P energy: -128.085 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -147.475 flat angles P-C4'-P energy: -110.672 tors. eta vs tors. theta energy: -87.535 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: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1413.923496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.923496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.923496 (E_RNA) where: Base-Base interactions energy: -840.398 where: short stacking energy: -420.346 Base-Backbone interact. energy: -2.187 local terms energy: -571.338498 where: bonds (distance) C4'-P energy: -140.748 bonds (distance) P-C4' energy: -150.252 flat angles C4'-P-C4' energy: -140.835 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -65.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1035.349733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.349733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.349733 (E_RNA) where: Base-Base interactions energy: -518.152 where: short stacking energy: -266.493 Base-Backbone interact. energy: -3.332 local terms energy: -513.865944 where: bonds (distance) C4'-P energy: -145.357 bonds (distance) P-C4' energy: -154.301 flat angles C4'-P-C4' energy: -135.037 flat angles P-C4'-P energy: -64.570 tors. eta vs tors. theta energy: -14.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3226.010226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.010226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.010226 (E_RNA) where: Base-Base interactions energy: -2222.925 where: short stacking energy: -984.251 Base-Backbone interact. energy: -3.473 local terms energy: -999.612095 where: bonds (distance) C4'-P energy: -188.332 bonds (distance) P-C4' energy: -171.833 flat angles C4'-P-C4' energy: -216.945 flat angles P-C4'-P energy: -133.565 tors. eta vs tors. theta energy: -288.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -3114.633494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.633494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.633494 (E_RNA) where: Base-Base interactions energy: -2131.724 where: short stacking energy: -914.916 Base-Backbone interact. energy: -6.613 local terms energy: -976.296370 where: bonds (distance) C4'-P energy: -187.585 bonds (distance) P-C4' energy: -180.343 flat angles C4'-P-C4' energy: -208.398 flat angles P-C4'-P energy: -131.530 tors. eta vs tors. theta energy: -268.440 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: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2988.098402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.098402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.098402 (E_RNA) where: Base-Base interactions energy: -2082.011 where: short stacking energy: -885.922 Base-Backbone interact. energy: -0.464 local terms energy: -905.623346 where: bonds (distance) C4'-P energy: -148.730 bonds (distance) P-C4' energy: -179.342 flat angles C4'-P-C4' energy: -196.952 flat angles P-C4'-P energy: -126.531 tors. eta vs tors. theta energy: -254.068 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: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2779.938894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.938894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.938894 (E_RNA) where: Base-Base interactions energy: -1887.100 where: short stacking energy: -846.338 Base-Backbone interact. energy: 0.694 local terms energy: -893.532869 where: bonds (distance) C4'-P energy: -174.771 bonds (distance) P-C4' energy: -176.378 flat angles C4'-P-C4' energy: -183.968 flat angles P-C4'-P energy: -118.738 tors. eta vs tors. theta energy: -239.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2676.483891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.483891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.483891 (E_RNA) where: Base-Base interactions energy: -1825.122 where: short stacking energy: -809.309 Base-Backbone interact. energy: 1.088 local terms energy: -852.449235 where: bonds (distance) C4'-P energy: -156.891 bonds (distance) P-C4' energy: -161.141 flat angles C4'-P-C4' energy: -195.948 flat angles P-C4'-P energy: -126.370 tors. eta vs tors. theta energy: -212.099 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: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2335.941048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.941048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.941048 (E_RNA) where: Base-Base interactions energy: -1577.733 where: short stacking energy: -703.134 Base-Backbone interact. energy: 2.905 local terms energy: -761.113006 where: bonds (distance) C4'-P energy: -162.686 bonds (distance) P-C4' energy: -169.324 flat angles C4'-P-C4' energy: -157.651 flat angles P-C4'-P energy: -115.464 tors. eta vs tors. theta energy: -155.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1937.682126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.682126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.682126 (E_RNA) where: Base-Base interactions energy: -1215.682 where: short stacking energy: -569.049 Base-Backbone interact. energy: -0.478 local terms energy: -721.522431 where: bonds (distance) C4'-P energy: -147.545 bonds (distance) P-C4' energy: -174.396 flat angles C4'-P-C4' energy: -162.052 flat angles P-C4'-P energy: -101.080 tors. eta vs tors. theta energy: -136.450 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: 343 Temperature: 1.250000 Total energy: -1768.282730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.282730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.282730 (E_RNA) where: Base-Base interactions energy: -1106.144 where: short stacking energy: -516.521 Base-Backbone interact. energy: -5.747 local terms energy: -656.391083 where: bonds (distance) C4'-P energy: -133.748 bonds (distance) P-C4' energy: -172.093 flat angles C4'-P-C4' energy: -154.424 flat angles P-C4'-P energy: -89.885 tors. eta vs tors. theta energy: -106.242 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: 343 Temperature: 1.300000 Total energy: -1399.583246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.583246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.583246 (E_RNA) where: Base-Base interactions energy: -828.195 where: short stacking energy: -402.411 Base-Backbone interact. energy: 4.237 local terms energy: -575.625985 where: bonds (distance) C4'-P energy: -144.134 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -151.762 flat angles P-C4'-P energy: -83.137 tors. eta vs tors. theta energy: -36.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1066.630291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.630291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.630291 (E_RNA) where: Base-Base interactions energy: -555.839 where: short stacking energy: -293.643 Base-Backbone interact. energy: 0.531 local terms energy: -511.321950 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -162.092 flat angles C4'-P-C4' energy: -144.695 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -10.842 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: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3213.799931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.799931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.799931 (E_RNA) where: Base-Base interactions energy: -2210.756 where: short stacking energy: -958.248 Base-Backbone interact. energy: -3.871 local terms energy: -999.172576 where: bonds (distance) C4'-P energy: -189.167 bonds (distance) P-C4' energy: -191.455 flat angles C4'-P-C4' energy: -219.350 flat angles P-C4'-P energy: -120.366 tors. eta vs tors. theta energy: -278.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -3155.463974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.463974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.463974 (E_RNA) where: Base-Base interactions energy: -2179.238 where: short stacking energy: -929.961 Base-Backbone interact. energy: -7.310 local terms energy: -968.916072 where: bonds (distance) C4'-P energy: -180.072 bonds (distance) P-C4' energy: -181.576 flat angles C4'-P-C4' energy: -214.317 flat angles P-C4'-P energy: -117.142 tors. eta vs tors. theta energy: -275.808 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: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2937.904762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.904762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.904762 (E_RNA) where: Base-Base interactions energy: -1997.972 where: short stacking energy: -875.356 Base-Backbone interact. energy: -4.531 local terms energy: -935.401565 where: bonds (distance) C4'-P energy: -174.806 bonds (distance) P-C4' energy: -169.668 flat angles C4'-P-C4' energy: -206.693 flat angles P-C4'-P energy: -126.784 tors. eta vs tors. theta energy: -257.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2752.206261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.206261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.206261 (E_RNA) where: Base-Base interactions energy: -1855.909 where: short stacking energy: -845.768 Base-Backbone interact. energy: 6.737 local terms energy: -903.033903 where: bonds (distance) C4'-P energy: -158.568 bonds (distance) P-C4' energy: -182.852 flat angles C4'-P-C4' energy: -190.526 flat angles P-C4'-P energy: -129.209 tors. eta vs tors. theta energy: -241.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2675.408584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.408584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.408584 (E_RNA) where: Base-Base interactions energy: -1803.205 where: short stacking energy: -796.533 Base-Backbone interact. energy: -2.522 local terms energy: -869.681785 where: bonds (distance) C4'-P energy: -153.608 bonds (distance) P-C4' energy: -174.100 flat angles C4'-P-C4' energy: -186.975 flat angles P-C4'-P energy: -132.394 tors. eta vs tors. theta energy: -222.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2326.072067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.072067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.072067 (E_RNA) where: Base-Base interactions energy: -1540.588 where: short stacking energy: -657.717 Base-Backbone interact. energy: -0.036 local terms energy: -785.448463 where: bonds (distance) C4'-P energy: -164.410 bonds (distance) P-C4' energy: -162.258 flat angles C4'-P-C4' energy: -153.624 flat angles P-C4'-P energy: -121.668 tors. eta vs tors. theta energy: -183.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1863.074125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.074125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.074125 (E_RNA) where: Base-Base interactions energy: -1198.590 where: short stacking energy: -541.032 Base-Backbone interact. energy: -2.199 local terms energy: -662.285149 where: bonds (distance) C4'-P energy: -141.028 bonds (distance) P-C4' energy: -157.600 flat angles C4'-P-C4' energy: -146.353 flat angles P-C4'-P energy: -117.749 tors. eta vs tors. theta energy: -99.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1855.516537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.516537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.516537 (E_RNA) where: Base-Base interactions energy: -1211.551 where: short stacking energy: -548.223 Base-Backbone interact. energy: -3.625 local terms energy: -640.340499 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -153.860 flat angles C4'-P-C4' energy: -147.916 flat angles P-C4'-P energy: -80.309 tors. eta vs tors. theta energy: -115.289 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: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1416.364588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.364588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.364588 (E_RNA) where: Base-Base interactions energy: -834.158 where: short stacking energy: -396.724 Base-Backbone interact. energy: 3.058 local terms energy: -585.264444 where: bonds (distance) C4'-P energy: -152.015 bonds (distance) P-C4' energy: -163.545 flat angles C4'-P-C4' energy: -135.204 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: -49.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1086.633730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.633730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.633730 (E_RNA) where: Base-Base interactions energy: -553.948 where: short stacking energy: -307.906 Base-Backbone interact. energy: -1.416 local terms energy: -531.269775 where: bonds (distance) C4'-P energy: -150.803 bonds (distance) P-C4' energy: -127.035 flat angles C4'-P-C4' energy: -149.486 flat angles P-C4'-P energy: -85.652 tors. eta vs tors. theta energy: -18.294 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: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3187.825345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.825345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.825345 (E_RNA) where: Base-Base interactions energy: -2199.009 where: short stacking energy: -955.930 Base-Backbone interact. energy: -6.873 local terms energy: -981.943431 where: bonds (distance) C4'-P energy: -181.793 bonds (distance) P-C4' energy: -169.675 flat angles C4'-P-C4' energy: -213.183 flat angles P-C4'-P energy: -143.964 tors. eta vs tors. theta energy: -273.328 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: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3142.834478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.834478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.834478 (E_RNA) where: Base-Base interactions energy: -2179.007 where: short stacking energy: -968.486 Base-Backbone interact. energy: -5.387 local terms energy: -958.440807 where: bonds (distance) C4'-P energy: -176.572 bonds (distance) P-C4' energy: -171.111 flat angles C4'-P-C4' energy: -209.663 flat angles P-C4'-P energy: -117.451 tors. eta vs tors. theta energy: -283.644 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: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2952.270321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.270321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.270321 (E_RNA) where: Base-Base interactions energy: -2027.273 where: short stacking energy: -847.992 Base-Backbone interact. energy: -1.812 local terms energy: -923.185573 where: bonds (distance) C4'-P energy: -173.654 bonds (distance) P-C4' energy: -183.254 flat angles C4'-P-C4' energy: -182.377 flat angles P-C4'-P energy: -126.814 tors. eta vs tors. theta energy: -257.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2792.264134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.264134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.264134 (E_RNA) where: Base-Base interactions energy: -1854.956 where: short stacking energy: -834.394 Base-Backbone interact. energy: -3.295 local terms energy: -934.012995 where: bonds (distance) C4'-P energy: -166.390 bonds (distance) P-C4' energy: -187.553 flat angles C4'-P-C4' energy: -187.107 flat angles P-C4'-P energy: -146.568 tors. eta vs tors. theta energy: -246.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2672.540484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.540484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.540484 (E_RNA) where: Base-Base interactions energy: -1807.275 where: short stacking energy: -798.741 Base-Backbone interact. energy: 0.531 local terms energy: -865.796415 where: bonds (distance) C4'-P energy: -162.882 bonds (distance) P-C4' energy: -171.690 flat angles C4'-P-C4' energy: -184.170 flat angles P-C4'-P energy: -123.293 tors. eta vs tors. theta energy: -223.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2308.949345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.949345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.949345 (E_RNA) where: Base-Base interactions energy: -1526.064 where: short stacking energy: -669.140 Base-Backbone interact. energy: -0.238 local terms energy: -782.647254 where: bonds (distance) C4'-P energy: -161.375 bonds (distance) P-C4' energy: -187.120 flat angles C4'-P-C4' energy: -157.733 flat angles P-C4'-P energy: -104.719 tors. eta vs tors. theta energy: -171.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1792.091165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.091165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.091165 (E_RNA) where: Base-Base interactions energy: -1145.376 where: short stacking energy: -510.769 Base-Backbone interact. energy: 1.098 local terms energy: -647.813634 where: bonds (distance) C4'-P energy: -163.800 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -169.962 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -75.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1804.661804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.661804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.661804 (E_RNA) where: Base-Base interactions energy: -1155.250 where: short stacking energy: -529.172 Base-Backbone interact. energy: 2.107 local terms energy: -651.518414 where: bonds (distance) C4'-P energy: -134.526 bonds (distance) P-C4' energy: -160.428 flat angles C4'-P-C4' energy: -147.848 flat angles P-C4'-P energy: -100.649 tors. eta vs tors. theta energy: -108.067 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: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1459.502727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.502727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.502727 (E_RNA) where: Base-Base interactions energy: -865.932 where: short stacking energy: -434.807 Base-Backbone interact. energy: 7.308 local terms energy: -600.879173 where: bonds (distance) C4'-P energy: -139.287 bonds (distance) P-C4' energy: -155.955 flat angles C4'-P-C4' energy: -144.651 flat angles P-C4'-P energy: -94.619 tors. eta vs tors. theta energy: -66.367 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: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1043.785364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.785364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.785364 (E_RNA) where: Base-Base interactions energy: -550.765 where: short stacking energy: -301.817 Base-Backbone interact. energy: 1.486 local terms energy: -494.506319 where: bonds (distance) C4'-P energy: -148.789 bonds (distance) P-C4' energy: -147.048 flat angles C4'-P-C4' energy: -138.949 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -0.940 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: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3214.089999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.089999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.089999 (E_RNA) where: Base-Base interactions energy: -2220.635 where: short stacking energy: -952.853 Base-Backbone interact. energy: -5.620 local terms energy: -987.834208 where: bonds (distance) C4'-P energy: -166.241 bonds (distance) P-C4' energy: -181.190 flat angles C4'-P-C4' energy: -206.763 flat angles P-C4'-P energy: -142.850 tors. eta vs tors. theta energy: -290.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3146.111818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.111818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.111818 (E_RNA) where: Base-Base interactions energy: -2212.257 where: short stacking energy: -954.969 Base-Backbone interact. energy: -4.429 local terms energy: -929.425283 where: bonds (distance) C4'-P energy: -168.918 bonds (distance) P-C4' energy: -170.056 flat angles C4'-P-C4' energy: -186.202 flat angles P-C4'-P energy: -131.478 tors. eta vs tors. theta energy: -272.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2967.381565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.381565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.381565 (E_RNA) where: Base-Base interactions energy: -2070.612 where: short stacking energy: -903.098 Base-Backbone interact. energy: -3.068 local terms energy: -893.701087 where: bonds (distance) C4'-P energy: -161.701 bonds (distance) P-C4' energy: -174.774 flat angles C4'-P-C4' energy: -189.952 flat angles P-C4'-P energy: -123.700 tors. eta vs tors. theta energy: -243.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2811.302821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.302821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.302821 (E_RNA) where: Base-Base interactions energy: -1907.531 where: short stacking energy: -852.985 Base-Backbone interact. energy: -6.453 local terms energy: -897.318461 where: bonds (distance) C4'-P energy: -145.197 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -194.613 flat angles P-C4'-P energy: -136.272 tors. eta vs tors. theta energy: -257.804 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2694.317423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.317423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.317423 (E_RNA) where: Base-Base interactions energy: -1873.156 where: short stacking energy: -812.604 Base-Backbone interact. energy: -4.079 local terms energy: -817.082166 where: bonds (distance) C4'-P energy: -163.524 bonds (distance) P-C4' energy: -142.352 flat angles C4'-P-C4' energy: -181.885 flat angles P-C4'-P energy: -115.240 tors. eta vs tors. theta energy: -214.081 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: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2354.702194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.702194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.702194 (E_RNA) where: Base-Base interactions energy: -1558.379 where: short stacking energy: -668.272 Base-Backbone interact. energy: -0.504 local terms energy: -795.819169 where: bonds (distance) C4'-P energy: -140.344 bonds (distance) P-C4' energy: -167.917 flat angles C4'-P-C4' energy: -180.269 flat angles P-C4'-P energy: -118.443 tors. eta vs tors. theta energy: -188.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1771.802447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.802447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.802447 (E_RNA) where: Base-Base interactions energy: -1103.275 where: short stacking energy: -489.518 Base-Backbone interact. energy: 2.339 local terms energy: -670.866221 where: bonds (distance) C4'-P energy: -154.917 bonds (distance) P-C4' energy: -157.624 flat angles C4'-P-C4' energy: -180.649 flat angles P-C4'-P energy: -99.615 tors. eta vs tors. theta energy: -78.061 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: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1790.983571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.983571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.983571 (E_RNA) where: Base-Base interactions energy: -1124.214 where: short stacking energy: -508.466 Base-Backbone interact. energy: -2.011 local terms energy: -664.758021 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -162.351 flat angles C4'-P-C4' energy: -156.557 flat angles P-C4'-P energy: -96.372 tors. eta vs tors. theta energy: -101.027 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: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1390.942211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.942211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.942211 (E_RNA) where: Base-Base interactions energy: -838.258 where: short stacking energy: -399.134 Base-Backbone interact. energy: -0.482 local terms energy: -552.202220 where: bonds (distance) C4'-P energy: -152.836 bonds (distance) P-C4' energy: -137.268 flat angles C4'-P-C4' energy: -133.498 flat angles P-C4'-P energy: -70.561 tors. eta vs tors. theta energy: -58.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1026.343061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.343061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.343061 (E_RNA) where: Base-Base interactions energy: -529.655 where: short stacking energy: -292.189 Base-Backbone interact. energy: -2.401 local terms energy: -494.287057 where: bonds (distance) C4'-P energy: -140.986 bonds (distance) P-C4' energy: -155.382 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -70.249 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3212.294864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.294864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.294864 (E_RNA) where: Base-Base interactions energy: -2192.416 where: short stacking energy: -946.795 Base-Backbone interact. energy: -4.990 local terms energy: -1014.889588 where: bonds (distance) C4'-P energy: -180.957 bonds (distance) P-C4' energy: -196.871 flat angles C4'-P-C4' energy: -207.534 flat angles P-C4'-P energy: -147.362 tors. eta vs tors. theta energy: -282.167 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: 347 Temperature: 0.950000 Total energy: -3137.844177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.844177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.844177 (E_RNA) where: Base-Base interactions energy: -2191.166 where: short stacking energy: -955.672 Base-Backbone interact. energy: -4.209 local terms energy: -942.470119 where: bonds (distance) C4'-P energy: -179.587 bonds (distance) P-C4' energy: -181.388 flat angles C4'-P-C4' energy: -178.886 flat angles P-C4'-P energy: -133.981 tors. eta vs tors. theta energy: -268.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2979.192024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.192024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.192024 (E_RNA) where: Base-Base interactions energy: -2055.230 where: short stacking energy: -875.703 Base-Backbone interact. energy: -3.241 local terms energy: -920.721178 where: bonds (distance) C4'-P energy: -160.811 bonds (distance) P-C4' energy: -166.201 flat angles C4'-P-C4' energy: -200.217 flat angles P-C4'-P energy: -135.332 tors. eta vs tors. theta energy: -258.159 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: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2869.311433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.311433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.311433 (E_RNA) where: Base-Base interactions energy: -1934.274 where: short stacking energy: -867.956 Base-Backbone interact. energy: -3.243 local terms energy: -931.794422 where: bonds (distance) C4'-P energy: -186.295 bonds (distance) P-C4' energy: -174.677 flat angles C4'-P-C4' energy: -188.293 flat angles P-C4'-P energy: -133.708 tors. eta vs tors. theta energy: -248.821 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: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2678.221153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.221153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.221153 (E_RNA) where: Base-Base interactions energy: -1847.231 where: short stacking energy: -767.575 Base-Backbone interact. energy: 3.899 local terms energy: -834.888743 where: bonds (distance) C4'-P energy: -162.007 bonds (distance) P-C4' energy: -152.676 flat angles C4'-P-C4' energy: -189.249 flat angles P-C4'-P energy: -114.631 tors. eta vs tors. theta energy: -216.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2368.325986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.325986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.325986 (E_RNA) where: Base-Base interactions energy: -1592.825 where: short stacking energy: -712.502 Base-Backbone interact. energy: -2.887 local terms energy: -772.613714 where: bonds (distance) C4'-P energy: -148.516 bonds (distance) P-C4' energy: -158.655 flat angles C4'-P-C4' energy: -181.710 flat angles P-C4'-P energy: -95.375 tors. eta vs tors. theta energy: -188.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1891.491857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.491857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.491857 (E_RNA) where: Base-Base interactions energy: -1216.241 where: short stacking energy: -570.657 Base-Backbone interact. energy: -2.103 local terms energy: -673.148180 where: bonds (distance) C4'-P energy: -141.071 bonds (distance) P-C4' energy: -153.710 flat angles C4'-P-C4' energy: -165.640 flat angles P-C4'-P energy: -97.450 tors. eta vs tors. theta energy: -115.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1790.596440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.596440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.596440 (E_RNA) where: Base-Base interactions energy: -1142.810 where: short stacking energy: -490.223 Base-Backbone interact. energy: 0.131 local terms energy: -647.917328 where: bonds (distance) C4'-P energy: -131.640 bonds (distance) P-C4' energy: -160.556 flat angles C4'-P-C4' energy: -162.047 flat angles P-C4'-P energy: -100.521 tors. eta vs tors. theta energy: -93.153 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: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1441.270771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.270771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.270771 (E_RNA) where: Base-Base interactions energy: -871.481 where: short stacking energy: -428.228 Base-Backbone interact. energy: 2.161 local terms energy: -571.950634 where: bonds (distance) C4'-P energy: -150.824 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -137.801 flat angles P-C4'-P energy: -108.436 tors. eta vs tors. theta energy: -38.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1028.426421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.426421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.426421 (E_RNA) where: Base-Base interactions energy: -523.165 where: short stacking energy: -282.204 Base-Backbone interact. energy: 3.212 local terms energy: -508.473243 where: bonds (distance) C4'-P energy: -139.885 bonds (distance) P-C4' energy: -137.856 flat angles C4'-P-C4' energy: -132.446 flat angles P-C4'-P energy: -82.576 tors. eta vs tors. theta energy: -15.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3199.115155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.115155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.115155 (E_RNA) where: Base-Base interactions energy: -2205.163 where: short stacking energy: -955.841 Base-Backbone interact. energy: -4.661 local terms energy: -989.291029 where: bonds (distance) C4'-P energy: -181.512 bonds (distance) P-C4' energy: -189.924 flat angles C4'-P-C4' energy: -207.311 flat angles P-C4'-P energy: -123.879 tors. eta vs tors. theta energy: -286.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -3130.503283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.503283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.503283 (E_RNA) where: Base-Base interactions energy: -2161.830 where: short stacking energy: -933.660 Base-Backbone interact. energy: -2.604 local terms energy: -966.069353 where: bonds (distance) C4'-P energy: -165.911 bonds (distance) P-C4' energy: -183.390 flat angles C4'-P-C4' energy: -208.484 flat angles P-C4'-P energy: -138.703 tors. eta vs tors. theta energy: -269.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2938.284877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.284877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.284877 (E_RNA) where: Base-Base interactions energy: -2003.148 where: short stacking energy: -889.278 Base-Backbone interact. energy: -4.475 local terms energy: -930.661269 where: bonds (distance) C4'-P energy: -170.090 bonds (distance) P-C4' energy: -171.481 flat angles C4'-P-C4' energy: -195.850 flat angles P-C4'-P energy: -123.900 tors. eta vs tors. theta energy: -269.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2819.118181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.118181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.118181 (E_RNA) where: Base-Base interactions energy: -1907.769 where: short stacking energy: -839.288 Base-Backbone interact. energy: -3.852 local terms energy: -907.497417 where: bonds (distance) C4'-P energy: -173.766 bonds (distance) P-C4' energy: -161.960 flat angles C4'-P-C4' energy: -188.627 flat angles P-C4'-P energy: -130.817 tors. eta vs tors. theta energy: -252.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2688.041953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.041953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.041953 (E_RNA) where: Base-Base interactions energy: -1816.903 where: short stacking energy: -772.982 Base-Backbone interact. energy: -7.041 local terms energy: -864.098045 where: bonds (distance) C4'-P energy: -138.596 bonds (distance) P-C4' energy: -174.302 flat angles C4'-P-C4' energy: -188.834 flat angles P-C4'-P energy: -141.651 tors. eta vs tors. theta energy: -220.716 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: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2378.565310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.565310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.565310 (E_RNA) where: Base-Base interactions energy: -1605.769 where: short stacking energy: -691.756 Base-Backbone interact. energy: -1.767 local terms energy: -771.029817 where: bonds (distance) C4'-P energy: -163.364 bonds (distance) P-C4' energy: -151.377 flat angles C4'-P-C4' energy: -180.110 flat angles P-C4'-P energy: -110.089 tors. eta vs tors. theta energy: -166.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1877.009097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.009097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.009097 (E_RNA) where: Base-Base interactions energy: -1162.936 where: short stacking energy: -536.596 Base-Backbone interact. energy: -3.426 local terms energy: -710.647313 where: bonds (distance) C4'-P energy: -171.609 bonds (distance) P-C4' energy: -160.955 flat angles C4'-P-C4' energy: -174.615 flat angles P-C4'-P energy: -102.990 tors. eta vs tors. theta energy: -100.478 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: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1813.106089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.106089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.106089 (E_RNA) where: Base-Base interactions energy: -1183.953 where: short stacking energy: -518.257 Base-Backbone interact. energy: -3.492 local terms energy: -625.660730 where: bonds (distance) C4'-P energy: -160.763 bonds (distance) P-C4' energy: -150.203 flat angles C4'-P-C4' energy: -163.557 flat angles P-C4'-P energy: -83.131 tors. eta vs tors. theta energy: -68.006 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: 348 Temperature: 1.300000 Total energy: -1449.079351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.079351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.079351 (E_RNA) where: Base-Base interactions energy: -878.675 where: short stacking energy: -435.057 Base-Backbone interact. energy: -0.988 local terms energy: -569.415967 where: bonds (distance) C4'-P energy: -146.354 bonds (distance) P-C4' energy: -142.063 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -88.529 tors. eta vs tors. theta energy: -48.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -912.991278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.991278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.991278 (E_RNA) where: Base-Base interactions energy: -445.214 where: short stacking energy: -285.492 Base-Backbone interact. energy: 2.001 local terms energy: -469.779178 where: bonds (distance) C4'-P energy: -139.910 bonds (distance) P-C4' energy: -153.448 flat angles C4'-P-C4' energy: -136.603 flat angles P-C4'-P energy: -57.321 tors. eta vs tors. theta energy: 17.503 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: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3182.221929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.221929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.221929 (E_RNA) where: Base-Base interactions energy: -2186.922 where: short stacking energy: -941.899 Base-Backbone interact. energy: -8.248 local terms energy: -987.051132 where: bonds (distance) C4'-P energy: -176.948 bonds (distance) P-C4' energy: -180.457 flat angles C4'-P-C4' energy: -203.587 flat angles P-C4'-P energy: -148.183 tors. eta vs tors. theta energy: -277.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3118.322146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.322146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.322146 (E_RNA) where: Base-Base interactions energy: -2125.684 where: short stacking energy: -918.931 Base-Backbone interact. energy: -4.683 local terms energy: -987.955007 where: bonds (distance) C4'-P energy: -188.996 bonds (distance) P-C4' energy: -188.289 flat angles C4'-P-C4' energy: -196.598 flat angles P-C4'-P energy: -135.737 tors. eta vs tors. theta energy: -278.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2971.369010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.369010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.369010 (E_RNA) where: Base-Base interactions energy: -2054.586 where: short stacking energy: -902.276 Base-Backbone interact. energy: -0.596 local terms energy: -916.186671 where: bonds (distance) C4'-P energy: -150.417 bonds (distance) P-C4' energy: -169.264 flat angles C4'-P-C4' energy: -186.994 flat angles P-C4'-P energy: -141.813 tors. eta vs tors. theta energy: -267.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2789.707490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.707490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.707490 (E_RNA) where: Base-Base interactions energy: -1897.291 where: short stacking energy: -819.170 Base-Backbone interact. energy: -5.649 local terms energy: -886.767131 where: bonds (distance) C4'-P energy: -159.431 bonds (distance) P-C4' energy: -179.548 flat angles C4'-P-C4' energy: -202.100 flat angles P-C4'-P energy: -122.369 tors. eta vs tors. theta energy: -223.319 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: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2715.773492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.773492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.773492 (E_RNA) where: Base-Base interactions energy: -1872.064 where: short stacking energy: -810.909 Base-Backbone interact. energy: 1.749 local terms energy: -845.458690 where: bonds (distance) C4'-P energy: -152.671 bonds (distance) P-C4' energy: -159.845 flat angles C4'-P-C4' energy: -168.617 flat angles P-C4'-P energy: -130.796 tors. eta vs tors. theta energy: -233.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2399.113980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.113980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.113980 (E_RNA) where: Base-Base interactions energy: -1622.415 where: short stacking energy: -731.521 Base-Backbone interact. energy: -3.003 local terms energy: -773.695353 where: bonds (distance) C4'-P energy: -151.925 bonds (distance) P-C4' energy: -145.120 flat angles C4'-P-C4' energy: -179.674 flat angles P-C4'-P energy: -114.675 tors. eta vs tors. theta energy: -182.301 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1909.755741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.755741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.755741 (E_RNA) where: Base-Base interactions energy: -1237.744 where: short stacking energy: -561.403 Base-Backbone interact. energy: -0.720 local terms energy: -671.292118 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -134.742 flat angles C4'-P-C4' energy: -169.381 flat angles P-C4'-P energy: -106.942 tors. eta vs tors. theta energy: -110.904 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: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1839.162859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.162859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.162859 (E_RNA) where: Base-Base interactions energy: -1200.072 where: short stacking energy: -546.638 Base-Backbone interact. energy: -2.432 local terms energy: -636.658845 where: bonds (distance) C4'-P energy: -156.458 bonds (distance) P-C4' energy: -152.199 flat angles C4'-P-C4' energy: -137.873 flat angles P-C4'-P energy: -89.956 tors. eta vs tors. theta energy: -100.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1391.003189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.003189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.003189 (E_RNA) where: Base-Base interactions energy: -790.959 where: short stacking energy: -397.388 Base-Backbone interact. energy: -2.241 local terms energy: -597.802886 where: bonds (distance) C4'-P energy: -155.041 bonds (distance) P-C4' energy: -156.402 flat angles C4'-P-C4' energy: -133.775 flat angles P-C4'-P energy: -100.291 tors. eta vs tors. theta energy: -52.293 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: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -979.514610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.514610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.514610 (E_RNA) where: Base-Base interactions energy: -494.048 where: short stacking energy: -294.946 Base-Backbone interact. energy: 3.219 local terms energy: -488.686320 where: bonds (distance) C4'-P energy: -138.173 bonds (distance) P-C4' energy: -164.157 flat angles C4'-P-C4' energy: -129.025 flat angles P-C4'-P energy: -66.489 tors. eta vs tors. theta energy: 9.158 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: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3169.419837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.419837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.419837 (E_RNA) where: Base-Base interactions energy: -2176.249 where: short stacking energy: -950.959 Base-Backbone interact. energy: -5.549 local terms energy: -987.622435 where: bonds (distance) C4'-P energy: -164.083 bonds (distance) P-C4' energy: -197.288 flat angles C4'-P-C4' energy: -207.063 flat angles P-C4'-P energy: -139.292 tors. eta vs tors. theta energy: -279.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3106.772894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.772894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.772894 (E_RNA) where: Base-Base interactions energy: -2143.802 where: short stacking energy: -941.114 Base-Backbone interact. energy: 0.209 local terms energy: -963.179334 where: bonds (distance) C4'-P energy: -174.612 bonds (distance) P-C4' energy: -173.860 flat angles C4'-P-C4' energy: -202.477 flat angles P-C4'-P energy: -140.253 tors. eta vs tors. theta energy: -271.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2958.277000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.277000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.277000 (E_RNA) where: Base-Base interactions energy: -2061.165 where: short stacking energy: -873.456 Base-Backbone interact. energy: -4.250 local terms energy: -892.861330 where: bonds (distance) C4'-P energy: -159.436 bonds (distance) P-C4' energy: -169.220 flat angles C4'-P-C4' energy: -192.109 flat angles P-C4'-P energy: -122.331 tors. eta vs tors. theta energy: -249.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2772.730657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.730657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.730657 (E_RNA) where: Base-Base interactions energy: -1897.862 where: short stacking energy: -832.828 Base-Backbone interact. energy: 2.397 local terms energy: -877.265310 where: bonds (distance) C4'-P energy: -170.164 bonds (distance) P-C4' energy: -161.565 flat angles C4'-P-C4' energy: -185.969 flat angles P-C4'-P energy: -118.543 tors. eta vs tors. theta energy: -241.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2740.390778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.390778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.390778 (E_RNA) where: Base-Base interactions energy: -1889.480 where: short stacking energy: -806.450 Base-Backbone interact. energy: -5.138 local terms energy: -845.773180 where: bonds (distance) C4'-P energy: -146.401 bonds (distance) P-C4' energy: -172.288 flat angles C4'-P-C4' energy: -170.071 flat angles P-C4'-P energy: -127.043 tors. eta vs tors. theta energy: -229.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2357.209782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.209782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.209782 (E_RNA) where: Base-Base interactions energy: -1584.302 where: short stacking energy: -703.437 Base-Backbone interact. energy: 0.034 local terms energy: -772.941993 where: bonds (distance) C4'-P energy: -163.519 bonds (distance) P-C4' energy: -155.308 flat angles C4'-P-C4' energy: -170.827 flat angles P-C4'-P energy: -112.523 tors. eta vs tors. theta energy: -170.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1920.365720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.365720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.365720 (E_RNA) where: Base-Base interactions energy: -1163.172 where: short stacking energy: -565.410 Base-Backbone interact. energy: 1.091 local terms energy: -758.285074 where: bonds (distance) C4'-P energy: -176.616 bonds (distance) P-C4' energy: -170.496 flat angles C4'-P-C4' energy: -184.564 flat angles P-C4'-P energy: -109.580 tors. eta vs tors. theta energy: -117.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1834.096864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.096864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.096864 (E_RNA) where: Base-Base interactions energy: -1149.939 where: short stacking energy: -510.022 Base-Backbone interact. energy: -3.142 local terms energy: -681.015962 where: bonds (distance) C4'-P energy: -150.557 bonds (distance) P-C4' energy: -160.536 flat angles C4'-P-C4' energy: -150.168 flat angles P-C4'-P energy: -102.095 tors. eta vs tors. theta energy: -117.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1289.119036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.119036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.119036 (E_RNA) where: Base-Base interactions energy: -728.996 where: short stacking energy: -394.102 Base-Backbone interact. energy: 0.039 local terms energy: -560.161958 where: bonds (distance) C4'-P energy: -145.742 bonds (distance) P-C4' energy: -147.625 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -81.725 tors. eta vs tors. theta energy: -34.775 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: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -974.137362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.137362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.137362 (E_RNA) where: Base-Base interactions energy: -479.592 where: short stacking energy: -287.815 Base-Backbone interact. energy: 1.382 local terms energy: -495.927258 where: bonds (distance) C4'-P energy: -141.491 bonds (distance) P-C4' energy: -152.523 flat angles C4'-P-C4' energy: -125.108 flat angles P-C4'-P energy: -65.645 tors. eta vs tors. theta energy: -11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3169.271234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.271234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.271234 (E_RNA) where: Base-Base interactions energy: -2189.353 where: short stacking energy: -923.188 Base-Backbone interact. energy: -4.887 local terms energy: -975.031430 where: bonds (distance) C4'-P energy: -181.805 bonds (distance) P-C4' energy: -176.161 flat angles C4'-P-C4' energy: -218.836 flat angles P-C4'-P energy: -141.855 tors. eta vs tors. theta energy: -256.375 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: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3088.900076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.900076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.900076 (E_RNA) where: Base-Base interactions energy: -2088.330 where: short stacking energy: -908.424 Base-Backbone interact. energy: -5.047 local terms energy: -995.523766 where: bonds (distance) C4'-P energy: -182.103 bonds (distance) P-C4' energy: -193.007 flat angles C4'-P-C4' energy: -197.150 flat angles P-C4'-P energy: -148.792 tors. eta vs tors. theta energy: -274.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -3029.217560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.217560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.217560 (E_RNA) where: Base-Base interactions energy: -2083.020 where: short stacking energy: -923.002 Base-Backbone interact. energy: -5.497 local terms energy: -940.701179 where: bonds (distance) C4'-P energy: -168.641 bonds (distance) P-C4' energy: -164.216 flat angles C4'-P-C4' energy: -211.103 flat angles P-C4'-P energy: -143.911 tors. eta vs tors. theta energy: -252.831 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: 351 Temperature: 1.050000 Total energy: -2824.947289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.947289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.947289 (E_RNA) where: Base-Base interactions energy: -1943.059 where: short stacking energy: -861.672 Base-Backbone interact. energy: -6.536 local terms energy: -875.352464 where: bonds (distance) C4'-P energy: -165.815 bonds (distance) P-C4' energy: -160.622 flat angles C4'-P-C4' energy: -197.743 flat angles P-C4'-P energy: -115.981 tors. eta vs tors. theta energy: -235.192 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: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2680.567461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.567461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.567461 (E_RNA) where: Base-Base interactions energy: -1863.306 where: short stacking energy: -811.592 Base-Backbone interact. energy: -3.470 local terms energy: -813.790880 where: bonds (distance) C4'-P energy: -139.052 bonds (distance) P-C4' energy: -168.273 flat angles C4'-P-C4' energy: -184.605 flat angles P-C4'-P energy: -116.484 tors. eta vs tors. theta energy: -205.378 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: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2396.588819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.588819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.588819 (E_RNA) where: Base-Base interactions energy: -1614.021 where: short stacking energy: -714.258 Base-Backbone interact. energy: -1.041 local terms energy: -781.526685 where: bonds (distance) C4'-P energy: -159.108 bonds (distance) P-C4' energy: -166.536 flat angles C4'-P-C4' energy: -171.792 flat angles P-C4'-P energy: -103.560 tors. eta vs tors. theta energy: -180.530 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: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1915.348796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.348796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.348796 (E_RNA) where: Base-Base interactions energy: -1248.631 where: short stacking energy: -553.415 Base-Backbone interact. energy: 0.405 local terms energy: -667.122284 where: bonds (distance) C4'-P energy: -139.832 bonds (distance) P-C4' energy: -158.698 flat angles C4'-P-C4' energy: -168.572 flat angles P-C4'-P energy: -98.321 tors. eta vs tors. theta energy: -101.699 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: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1869.195809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.195809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.195809 (E_RNA) where: Base-Base interactions energy: -1220.167 where: short stacking energy: -528.981 Base-Backbone interact. energy: 9.150 local terms energy: -658.179056 where: bonds (distance) C4'-P energy: -138.739 bonds (distance) P-C4' energy: -150.746 flat angles C4'-P-C4' energy: -140.368 flat angles P-C4'-P energy: -110.248 tors. eta vs tors. theta energy: -118.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1309.801579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.801579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.801579 (E_RNA) where: Base-Base interactions energy: -770.166 where: short stacking energy: -413.678 Base-Backbone interact. energy: 3.934 local terms energy: -543.569665 where: bonds (distance) C4'-P energy: -135.896 bonds (distance) P-C4' energy: -153.589 flat angles C4'-P-C4' energy: -127.620 flat angles P-C4'-P energy: -87.711 tors. eta vs tors. theta energy: -38.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -963.552234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.552234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.552234 (E_RNA) where: Base-Base interactions energy: -493.147 where: short stacking energy: -265.442 Base-Backbone interact. energy: 2.010 local terms energy: -472.415126 where: bonds (distance) C4'-P energy: -130.832 bonds (distance) P-C4' energy: -159.348 flat angles C4'-P-C4' energy: -121.514 flat angles P-C4'-P energy: -64.223 tors. eta vs tors. theta energy: 3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3191.803402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.803402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.803402 (E_RNA) where: Base-Base interactions energy: -2178.569 where: short stacking energy: -926.097 Base-Backbone interact. energy: -1.307 local terms energy: -1011.927642 where: bonds (distance) C4'-P energy: -184.375 bonds (distance) P-C4' energy: -204.881 flat angles C4'-P-C4' energy: -216.052 flat angles P-C4'-P energy: -132.230 tors. eta vs tors. theta energy: -274.389 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: 352 Temperature: 0.950000 Total energy: -3044.342645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.342645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.342645 (E_RNA) where: Base-Base interactions energy: -2097.768 where: short stacking energy: -893.740 Base-Backbone interact. energy: -5.341 local terms energy: -941.234049 where: bonds (distance) C4'-P energy: -175.194 bonds (distance) P-C4' energy: -167.391 flat angles C4'-P-C4' energy: -200.549 flat angles P-C4'-P energy: -140.673 tors. eta vs tors. theta energy: -257.428 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: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2984.583278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.583278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.583278 (E_RNA) where: Base-Base interactions energy: -2045.094 where: short stacking energy: -882.206 Base-Backbone interact. energy: 0.860 local terms energy: -940.349045 where: bonds (distance) C4'-P energy: -156.424 bonds (distance) P-C4' energy: -187.200 flat angles C4'-P-C4' energy: -197.831 flat angles P-C4'-P energy: -141.194 tors. eta vs tors. theta energy: -257.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2798.165436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.165436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.165436 (E_RNA) where: Base-Base interactions energy: -1907.552 where: short stacking energy: -846.913 Base-Backbone interact. energy: -4.212 local terms energy: -886.402059 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -187.769 flat angles C4'-P-C4' energy: -195.216 flat angles P-C4'-P energy: -111.172 tors. eta vs tors. theta energy: -237.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2732.675598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.675598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.675598 (E_RNA) where: Base-Base interactions energy: -1904.016 where: short stacking energy: -821.960 Base-Backbone interact. energy: -4.807 local terms energy: -823.852324 where: bonds (distance) C4'-P energy: -159.852 bonds (distance) P-C4' energy: -153.669 flat angles C4'-P-C4' energy: -179.280 flat angles P-C4'-P energy: -121.594 tors. eta vs tors. theta energy: -209.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2398.411087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.411087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.411087 (E_RNA) where: Base-Base interactions energy: -1599.740 where: short stacking energy: -722.508 Base-Backbone interact. energy: -3.078 local terms energy: -795.592747 where: bonds (distance) C4'-P energy: -145.291 bonds (distance) P-C4' energy: -157.599 flat angles C4'-P-C4' energy: -176.237 flat angles P-C4'-P energy: -135.106 tors. eta vs tors. theta energy: -181.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2015.644890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.644890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.644890 (E_RNA) where: Base-Base interactions energy: -1324.026 where: short stacking energy: -635.051 Base-Backbone interact. energy: -0.341 local terms energy: -691.278508 where: bonds (distance) C4'-P energy: -153.427 bonds (distance) P-C4' energy: -159.670 flat angles C4'-P-C4' energy: -152.555 flat angles P-C4'-P energy: -92.864 tors. eta vs tors. theta energy: -132.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1889.601357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.601357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.601357 (E_RNA) where: Base-Base interactions energy: -1245.850 where: short stacking energy: -537.161 Base-Backbone interact. energy: -1.813 local terms energy: -641.938362 where: bonds (distance) C4'-P energy: -144.118 bonds (distance) P-C4' energy: -150.360 flat angles C4'-P-C4' energy: -162.483 flat angles P-C4'-P energy: -81.239 tors. eta vs tors. theta energy: -103.738 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: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1353.417724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.417724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.417724 (E_RNA) where: Base-Base interactions energy: -796.352 where: short stacking energy: -386.920 Base-Backbone interact. energy: 0.387 local terms energy: -557.452404 where: bonds (distance) C4'-P energy: -143.328 bonds (distance) P-C4' energy: -148.788 flat angles C4'-P-C4' energy: -128.035 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -50.747 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: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -941.420314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.420314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.420314 (E_RNA) where: Base-Base interactions energy: -458.871 where: short stacking energy: -273.052 Base-Backbone interact. energy: 5.067 local terms energy: -487.616240 where: bonds (distance) C4'-P energy: -150.432 bonds (distance) P-C4' energy: -160.415 flat angles C4'-P-C4' energy: -114.323 flat angles P-C4'-P energy: -67.008 tors. eta vs tors. theta energy: 4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3187.214957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.214957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.214957 (E_RNA) where: Base-Base interactions energy: -2226.540 where: short stacking energy: -945.100 Base-Backbone interact. energy: -4.434 local terms energy: -956.240647 where: bonds (distance) C4'-P energy: -178.375 bonds (distance) P-C4' energy: -181.901 flat angles C4'-P-C4' energy: -204.156 flat angles P-C4'-P energy: -134.332 tors. eta vs tors. theta energy: -257.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -3032.048042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.048042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.048042 (E_RNA) where: Base-Base interactions energy: -2093.820 where: short stacking energy: -894.207 Base-Backbone interact. energy: -7.377 local terms energy: -930.851626 where: bonds (distance) C4'-P energy: -172.005 bonds (distance) P-C4' energy: -167.393 flat angles C4'-P-C4' energy: -201.506 flat angles P-C4'-P energy: -131.104 tors. eta vs tors. theta energy: -258.843 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: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2984.324510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.324510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.324510 (E_RNA) where: Base-Base interactions energy: -2058.658 where: short stacking energy: -905.810 Base-Backbone interact. energy: -5.440 local terms energy: -920.226680 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -194.395 flat angles C4'-P-C4' energy: -178.314 flat angles P-C4'-P energy: -137.127 tors. eta vs tors. theta energy: -256.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2646.826329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.826329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.826329 (E_RNA) where: Base-Base interactions energy: -1811.182 where: short stacking energy: -772.084 Base-Backbone interact. energy: 0.789 local terms energy: -836.433046 where: bonds (distance) C4'-P energy: -162.121 bonds (distance) P-C4' energy: -166.999 flat angles C4'-P-C4' energy: -188.940 flat angles P-C4'-P energy: -112.765 tors. eta vs tors. theta energy: -205.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2686.499832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.499832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.499832 (E_RNA) where: Base-Base interactions energy: -1846.227 where: short stacking energy: -818.670 Base-Backbone interact. energy: -3.742 local terms energy: -836.530751 where: bonds (distance) C4'-P energy: -134.026 bonds (distance) P-C4' energy: -178.108 flat angles C4'-P-C4' energy: -192.073 flat angles P-C4'-P energy: -104.355 tors. eta vs tors. theta energy: -227.969 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: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2397.280135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.280135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.280135 (E_RNA) where: Base-Base interactions energy: -1611.435 where: short stacking energy: -721.041 Base-Backbone interact. energy: -0.936 local terms energy: -784.908393 where: bonds (distance) C4'-P energy: -150.821 bonds (distance) P-C4' energy: -155.391 flat angles C4'-P-C4' energy: -181.195 flat angles P-C4'-P energy: -115.273 tors. eta vs tors. theta energy: -182.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1997.142554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.142554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.142554 (E_RNA) where: Base-Base interactions energy: -1313.640 where: short stacking energy: -579.678 Base-Backbone interact. energy: -0.288 local terms energy: -683.214562 where: bonds (distance) C4'-P energy: -141.111 bonds (distance) P-C4' energy: -155.279 flat angles C4'-P-C4' energy: -167.567 flat angles P-C4'-P energy: -92.545 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1880.113139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.113139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.113139 (E_RNA) where: Base-Base interactions energy: -1230.487 where: short stacking energy: -560.751 Base-Backbone interact. energy: -4.507 local terms energy: -645.119304 where: bonds (distance) C4'-P energy: -127.218 bonds (distance) P-C4' energy: -166.392 flat angles C4'-P-C4' energy: -159.069 flat angles P-C4'-P energy: -85.286 tors. eta vs tors. theta energy: -107.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1329.688461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.688461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.688461 (E_RNA) where: Base-Base interactions energy: -746.642 where: short stacking energy: -367.655 Base-Backbone interact. energy: 0.938 local terms energy: -583.984256 where: bonds (distance) C4'-P energy: -157.601 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -145.535 flat angles P-C4'-P energy: -73.775 tors. eta vs tors. theta energy: -58.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -982.038510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.038510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.038510 (E_RNA) where: Base-Base interactions energy: -505.138 where: short stacking energy: -282.317 Base-Backbone interact. energy: 3.282 local terms energy: -480.182576 where: bonds (distance) C4'-P energy: -131.106 bonds (distance) P-C4' energy: -132.917 flat angles C4'-P-C4' energy: -141.317 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3220.041614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.041614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.041614 (E_RNA) where: Base-Base interactions energy: -2217.744 where: short stacking energy: -938.823 Base-Backbone interact. energy: -2.609 local terms energy: -999.689419 where: bonds (distance) C4'-P energy: -193.177 bonds (distance) P-C4' energy: -181.227 flat angles C4'-P-C4' energy: -218.963 flat angles P-C4'-P energy: -133.912 tors. eta vs tors. theta energy: -272.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -3075.046677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.046677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.046677 (E_RNA) where: Base-Base interactions energy: -2129.340 where: short stacking energy: -921.841 Base-Backbone interact. energy: -4.259 local terms energy: -941.447933 where: bonds (distance) C4'-P energy: -184.014 bonds (distance) P-C4' energy: -180.934 flat angles C4'-P-C4' energy: -197.597 flat angles P-C4'-P energy: -118.704 tors. eta vs tors. theta energy: -260.200 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: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2973.011975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.011975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.011975 (E_RNA) where: Base-Base interactions energy: -2046.977 where: short stacking energy: -896.270 Base-Backbone interact. energy: -0.996 local terms energy: -925.038169 where: bonds (distance) C4'-P energy: -162.137 bonds (distance) P-C4' energy: -185.442 flat angles C4'-P-C4' energy: -200.984 flat angles P-C4'-P energy: -126.740 tors. eta vs tors. theta energy: -249.736 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: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2741.456593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.456593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.456593 (E_RNA) where: Base-Base interactions energy: -1850.088 where: short stacking energy: -840.020 Base-Backbone interact. energy: -1.770 local terms energy: -889.598811 where: bonds (distance) C4'-P energy: -168.199 bonds (distance) P-C4' energy: -160.905 flat angles C4'-P-C4' energy: -193.490 flat angles P-C4'-P energy: -124.289 tors. eta vs tors. theta energy: -242.715 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: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2668.908853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.908853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.908853 (E_RNA) where: Base-Base interactions energy: -1841.902 where: short stacking energy: -796.649 Base-Backbone interact. energy: 1.554 local terms energy: -828.560765 where: bonds (distance) C4'-P energy: -144.273 bonds (distance) P-C4' energy: -171.922 flat angles C4'-P-C4' energy: -184.231 flat angles P-C4'-P energy: -120.364 tors. eta vs tors. theta energy: -207.771 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: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2479.309135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.309135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.309135 (E_RNA) where: Base-Base interactions energy: -1655.885 where: short stacking energy: -712.823 Base-Backbone interact. energy: -0.802 local terms energy: -822.622471 where: bonds (distance) C4'-P energy: -171.989 bonds (distance) P-C4' energy: -160.214 flat angles C4'-P-C4' energy: -182.050 flat angles P-C4'-P energy: -116.635 tors. eta vs tors. theta energy: -191.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1997.943074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.943074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.943074 (E_RNA) where: Base-Base interactions energy: -1330.853 where: short stacking energy: -651.792 Base-Backbone interact. energy: -2.364 local terms energy: -664.725891 where: bonds (distance) C4'-P energy: -133.076 bonds (distance) P-C4' energy: -148.771 flat angles C4'-P-C4' energy: -154.807 flat angles P-C4'-P energy: -95.358 tors. eta vs tors. theta energy: -132.714 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: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1848.220360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.220360 (E_RNA) where: Base-Base interactions energy: -1203.705 where: short stacking energy: -547.054 Base-Backbone interact. energy: 0.042 local terms energy: -644.557466 where: bonds (distance) C4'-P energy: -130.434 bonds (distance) P-C4' energy: -167.739 flat angles C4'-P-C4' energy: -145.634 flat angles P-C4'-P energy: -103.870 tors. eta vs tors. theta energy: -96.880 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: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1321.397670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.397670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.397670 (E_RNA) where: Base-Base interactions energy: -800.678 where: short stacking energy: -372.036 Base-Backbone interact. energy: -1.122 local terms energy: -519.597787 where: bonds (distance) C4'-P energy: -138.986 bonds (distance) P-C4' energy: -153.038 flat angles C4'-P-C4' energy: -132.217 flat angles P-C4'-P energy: -88.523 tors. eta vs tors. theta energy: -6.833 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: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -941.811710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.811710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.811710 (E_RNA) where: Base-Base interactions energy: -441.641 where: short stacking energy: -278.187 Base-Backbone interact. energy: 1.983 local terms energy: -502.153892 where: bonds (distance) C4'-P energy: -145.650 bonds (distance) P-C4' energy: -123.972 flat angles C4'-P-C4' energy: -141.422 flat angles P-C4'-P energy: -83.337 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3239.924511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.924511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.924511 (E_RNA) where: Base-Base interactions energy: -2221.907 where: short stacking energy: -955.063 Base-Backbone interact. energy: -7.817 local terms energy: -1010.200279 where: bonds (distance) C4'-P energy: -193.845 bonds (distance) P-C4' energy: -191.273 flat angles C4'-P-C4' energy: -214.127 flat angles P-C4'-P energy: -130.152 tors. eta vs tors. theta energy: -280.804 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: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3091.979660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.979660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.979660 (E_RNA) where: Base-Base interactions energy: -2139.878 where: short stacking energy: -904.428 Base-Backbone interact. energy: 1.113 local terms energy: -953.213982 where: bonds (distance) C4'-P energy: -175.702 bonds (distance) P-C4' energy: -173.557 flat angles C4'-P-C4' energy: -206.242 flat angles P-C4'-P energy: -132.058 tors. eta vs tors. theta energy: -265.654 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: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2984.887508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.887508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.887508 (E_RNA) where: Base-Base interactions energy: -2078.946 where: short stacking energy: -904.562 Base-Backbone interact. energy: -4.991 local terms energy: -900.951035 where: bonds (distance) C4'-P energy: -173.419 bonds (distance) P-C4' energy: -183.628 flat angles C4'-P-C4' energy: -172.476 flat angles P-C4'-P energy: -123.197 tors. eta vs tors. theta energy: -248.231 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: 355 Temperature: 1.050000 Total energy: -2709.062683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.062683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.062683 (E_RNA) where: Base-Base interactions energy: -1866.307 where: short stacking energy: -766.105 Base-Backbone interact. energy: -4.330 local terms energy: -838.426158 where: bonds (distance) C4'-P energy: -146.966 bonds (distance) P-C4' energy: -177.537 flat angles C4'-P-C4' energy: -187.255 flat angles P-C4'-P energy: -109.726 tors. eta vs tors. theta energy: -216.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2673.023917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.023917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.023917 (E_RNA) where: Base-Base interactions energy: -1854.951 where: short stacking energy: -790.760 Base-Backbone interact. energy: 10.472 local terms energy: -828.544527 where: bonds (distance) C4'-P energy: -147.244 bonds (distance) P-C4' energy: -169.768 flat angles C4'-P-C4' energy: -168.986 flat angles P-C4'-P energy: -125.705 tors. eta vs tors. theta energy: -216.842 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: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2452.776939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.776939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.776939 (E_RNA) where: Base-Base interactions energy: -1655.283 where: short stacking energy: -736.338 Base-Backbone interact. energy: -0.161 local terms energy: -797.332861 where: bonds (distance) C4'-P energy: -170.530 bonds (distance) P-C4' energy: -149.327 flat angles C4'-P-C4' energy: -184.958 flat angles P-C4'-P energy: -109.754 tors. eta vs tors. theta energy: -182.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1915.023851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.023851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.023851 (E_RNA) where: Base-Base interactions energy: -1257.664 where: short stacking energy: -562.942 Base-Backbone interact. energy: 0.371 local terms energy: -657.731464 where: bonds (distance) C4'-P energy: -129.541 bonds (distance) P-C4' energy: -154.265 flat angles C4'-P-C4' energy: -154.954 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -130.885 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: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1720.981977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.981977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.981977 (E_RNA) where: Base-Base interactions energy: -1068.376 where: short stacking energy: -479.024 Base-Backbone interact. energy: -0.177 local terms energy: -652.428504 where: bonds (distance) C4'-P energy: -160.249 bonds (distance) P-C4' energy: -144.676 flat angles C4'-P-C4' energy: -161.519 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -85.830 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: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1384.650750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.650750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.650750 (E_RNA) where: Base-Base interactions energy: -833.455 where: short stacking energy: -404.867 Base-Backbone interact. energy: -0.856 local terms energy: -550.340217 where: bonds (distance) C4'-P energy: -125.723 bonds (distance) P-C4' energy: -141.026 flat angles C4'-P-C4' energy: -158.876 flat angles P-C4'-P energy: -94.174 tors. eta vs tors. theta energy: -30.542 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: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -957.539966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.539966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.539966 (E_RNA) where: Base-Base interactions energy: -475.920 where: short stacking energy: -298.336 Base-Backbone interact. energy: 2.559 local terms energy: -484.178784 where: bonds (distance) C4'-P energy: -131.304 bonds (distance) P-C4' energy: -144.060 flat angles C4'-P-C4' energy: -120.588 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -8.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3223.132832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.132832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.132832 (E_RNA) where: Base-Base interactions energy: -2246.939 where: short stacking energy: -968.709 Base-Backbone interact. energy: -5.841 local terms energy: -970.352820 where: bonds (distance) C4'-P energy: -174.446 bonds (distance) P-C4' energy: -183.933 flat angles C4'-P-C4' energy: -212.578 flat angles P-C4'-P energy: -135.432 tors. eta vs tors. theta energy: -263.964 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: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3042.780634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.780634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.780634 (E_RNA) where: Base-Base interactions energy: -2114.752 where: short stacking energy: -910.412 Base-Backbone interact. energy: -3.450 local terms energy: -924.578562 where: bonds (distance) C4'-P energy: -160.856 bonds (distance) P-C4' energy: -170.127 flat angles C4'-P-C4' energy: -202.424 flat angles P-C4'-P energy: -126.719 tors. eta vs tors. theta energy: -264.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2979.649263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.649263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.649263 (E_RNA) where: Base-Base interactions energy: -2045.149 where: short stacking energy: -895.076 Base-Backbone interact. energy: 0.550 local terms energy: -935.050433 where: bonds (distance) C4'-P energy: -153.953 bonds (distance) P-C4' energy: -192.565 flat angles C4'-P-C4' energy: -181.278 flat angles P-C4'-P energy: -139.119 tors. eta vs tors. theta energy: -268.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2741.130418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.130418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.130418 (E_RNA) where: Base-Base interactions energy: -1882.088 where: short stacking energy: -833.892 Base-Backbone interact. energy: -6.829 local terms energy: -852.213574 where: bonds (distance) C4'-P energy: -146.258 bonds (distance) P-C4' energy: -157.642 flat angles C4'-P-C4' energy: -186.277 flat angles P-C4'-P energy: -121.916 tors. eta vs tors. theta energy: -240.122 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: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2679.790120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.790120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.790120 (E_RNA) where: Base-Base interactions energy: -1824.091 where: short stacking energy: -767.638 Base-Backbone interact. energy: 1.051 local terms energy: -856.750725 where: bonds (distance) C4'-P energy: -170.208 bonds (distance) P-C4' energy: -174.365 flat angles C4'-P-C4' energy: -200.146 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -198.859 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: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2376.810219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.810219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.810219 (E_RNA) where: Base-Base interactions energy: -1636.723 where: short stacking energy: -694.482 Base-Backbone interact. energy: -2.582 local terms energy: -737.504916 where: bonds (distance) C4'-P energy: -132.728 bonds (distance) P-C4' energy: -148.476 flat angles C4'-P-C4' energy: -166.436 flat angles P-C4'-P energy: -115.509 tors. eta vs tors. theta energy: -174.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1899.860951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.860951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.860951 (E_RNA) where: Base-Base interactions energy: -1235.495 where: short stacking energy: -552.582 Base-Backbone interact. energy: -5.021 local terms energy: -659.344564 where: bonds (distance) C4'-P energy: -150.230 bonds (distance) P-C4' energy: -128.029 flat angles C4'-P-C4' energy: -168.825 flat angles P-C4'-P energy: -99.035 tors. eta vs tors. theta energy: -113.225 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: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1708.631911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.631911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.631911 (E_RNA) where: Base-Base interactions energy: -1101.251 where: short stacking energy: -497.242 Base-Backbone interact. energy: 4.639 local terms energy: -612.019736 where: bonds (distance) C4'-P energy: -122.158 bonds (distance) P-C4' energy: -157.110 flat angles C4'-P-C4' energy: -159.212 flat angles P-C4'-P energy: -78.578 tors. eta vs tors. theta energy: -94.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1355.757988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.757988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.757988 (E_RNA) where: Base-Base interactions energy: -800.397 where: short stacking energy: -427.587 Base-Backbone interact. energy: 0.995 local terms energy: -556.356288 where: bonds (distance) C4'-P energy: -118.391 bonds (distance) P-C4' energy: -162.769 flat angles C4'-P-C4' energy: -130.350 flat angles P-C4'-P energy: -94.004 tors. eta vs tors. theta energy: -50.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -942.975577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.975577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.975577 (E_RNA) where: Base-Base interactions energy: -444.101 where: short stacking energy: -266.612 Base-Backbone interact. energy: 0.560 local terms energy: -499.434968 where: bonds (distance) C4'-P energy: -139.340 bonds (distance) P-C4' energy: -157.529 flat angles C4'-P-C4' energy: -126.489 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: 3.415 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: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3173.083221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.083221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.083221 (E_RNA) where: Base-Base interactions energy: -2195.936 where: short stacking energy: -955.749 Base-Backbone interact. energy: -2.952 local terms energy: -974.194899 where: bonds (distance) C4'-P energy: -176.302 bonds (distance) P-C4' energy: -187.955 flat angles C4'-P-C4' energy: -210.448 flat angles P-C4'-P energy: -142.360 tors. eta vs tors. theta energy: -257.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3053.991373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.991373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.991373 (E_RNA) where: Base-Base interactions energy: -2094.157 where: short stacking energy: -913.212 Base-Backbone interact. energy: -7.428 local terms energy: -952.406666 where: bonds (distance) C4'-P energy: -183.344 bonds (distance) P-C4' energy: -183.217 flat angles C4'-P-C4' energy: -209.575 flat angles P-C4'-P energy: -109.544 tors. eta vs tors. theta energy: -266.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2956.174169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.174169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.174169 (E_RNA) where: Base-Base interactions energy: -2045.870 where: short stacking energy: -891.158 Base-Backbone interact. energy: -1.816 local terms energy: -908.488444 where: bonds (distance) C4'-P energy: -153.616 bonds (distance) P-C4' energy: -181.752 flat angles C4'-P-C4' energy: -203.073 flat angles P-C4'-P energy: -112.772 tors. eta vs tors. theta energy: -257.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2760.130520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.130520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.130520 (E_RNA) where: Base-Base interactions energy: -1864.664 where: short stacking energy: -829.333 Base-Backbone interact. energy: -3.195 local terms energy: -892.272277 where: bonds (distance) C4'-P energy: -177.715 bonds (distance) P-C4' energy: -161.631 flat angles C4'-P-C4' energy: -188.532 flat angles P-C4'-P energy: -129.774 tors. eta vs tors. theta energy: -234.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2707.065630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.065630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.065630 (E_RNA) where: Base-Base interactions energy: -1887.799 where: short stacking energy: -793.921 Base-Backbone interact. energy: 1.468 local terms energy: -820.734351 where: bonds (distance) C4'-P energy: -156.130 bonds (distance) P-C4' energy: -148.752 flat angles C4'-P-C4' energy: -187.983 flat angles P-C4'-P energy: -120.108 tors. eta vs tors. theta energy: -207.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2378.167772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.167772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.167772 (E_RNA) where: Base-Base interactions energy: -1603.738 where: short stacking energy: -712.731 Base-Backbone interact. energy: -0.120 local terms energy: -774.310208 where: bonds (distance) C4'-P energy: -146.720 bonds (distance) P-C4' energy: -158.902 flat angles C4'-P-C4' energy: -172.058 flat angles P-C4'-P energy: -110.717 tors. eta vs tors. theta energy: -185.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1911.337668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.337668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.337668 (E_RNA) where: Base-Base interactions energy: -1229.015 where: short stacking energy: -537.337 Base-Backbone interact. energy: -2.719 local terms energy: -679.604069 where: bonds (distance) C4'-P energy: -167.992 bonds (distance) P-C4' energy: -162.204 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -99.387 tors. eta vs tors. theta energy: -97.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1765.088267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.088267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.088267 (E_RNA) where: Base-Base interactions energy: -1131.663 where: short stacking energy: -514.443 Base-Backbone interact. energy: 1.497 local terms energy: -634.921758 where: bonds (distance) C4'-P energy: -160.145 bonds (distance) P-C4' energy: -142.503 flat angles C4'-P-C4' energy: -166.260 flat angles P-C4'-P energy: -85.394 tors. eta vs tors. theta energy: -80.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1399.559666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.559666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.559666 (E_RNA) where: Base-Base interactions energy: -859.779 where: short stacking energy: -437.450 Base-Backbone interact. energy: 0.437 local terms energy: -540.217072 where: bonds (distance) C4'-P energy: -134.034 bonds (distance) P-C4' energy: -139.252 flat angles C4'-P-C4' energy: -143.208 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -47.962 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: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -920.247444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.247444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.247444 (E_RNA) where: Base-Base interactions energy: -438.016 where: short stacking energy: -254.764 Base-Backbone interact. energy: 5.056 local terms energy: -487.287395 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -154.381 flat angles C4'-P-C4' energy: -136.466 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3219.227228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.227228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.227228 (E_RNA) where: Base-Base interactions energy: -2237.056 where: short stacking energy: -933.932 Base-Backbone interact. energy: -6.452 local terms energy: -975.718899 where: bonds (distance) C4'-P energy: -182.422 bonds (distance) P-C4' energy: -182.401 flat angles C4'-P-C4' energy: -210.660 flat angles P-C4'-P energy: -140.089 tors. eta vs tors. theta energy: -260.147 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: 358 Temperature: 0.950000 Total energy: -3077.712709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.712709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.712709 (E_RNA) where: Base-Base interactions energy: -2105.027 where: short stacking energy: -910.743 Base-Backbone interact. energy: -4.267 local terms energy: -968.417819 where: bonds (distance) C4'-P energy: -180.303 bonds (distance) P-C4' energy: -207.295 flat angles C4'-P-C4' energy: -202.792 flat angles P-C4'-P energy: -120.198 tors. eta vs tors. theta energy: -257.829 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: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2926.862080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.862080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.862080 (E_RNA) where: Base-Base interactions energy: -2002.361 where: short stacking energy: -873.443 Base-Backbone interact. energy: -0.928 local terms energy: -923.573063 where: bonds (distance) C4'-P energy: -170.188 bonds (distance) P-C4' energy: -179.410 flat angles C4'-P-C4' energy: -193.656 flat angles P-C4'-P energy: -134.186 tors. eta vs tors. theta energy: -246.134 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: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2819.023920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.023920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.023920 (E_RNA) where: Base-Base interactions energy: -1911.362 where: short stacking energy: -856.545 Base-Backbone interact. energy: -0.538 local terms energy: -907.123950 where: bonds (distance) C4'-P energy: -169.151 bonds (distance) P-C4' energy: -171.753 flat angles C4'-P-C4' energy: -202.586 flat angles P-C4'-P energy: -121.984 tors. eta vs tors. theta energy: -241.651 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: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2748.077204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.077204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.077204 (E_RNA) where: Base-Base interactions energy: -1902.069 where: short stacking energy: -810.071 Base-Backbone interact. energy: -4.389 local terms energy: -841.619013 where: bonds (distance) C4'-P energy: -152.525 bonds (distance) P-C4' energy: -161.872 flat angles C4'-P-C4' energy: -179.708 flat angles P-C4'-P energy: -122.803 tors. eta vs tors. theta energy: -224.711 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: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2391.767639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.767639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.767639 (E_RNA) where: Base-Base interactions energy: -1605.501 where: short stacking energy: -682.592 Base-Backbone interact. energy: -3.549 local terms energy: -782.717805 where: bonds (distance) C4'-P energy: -170.469 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -167.812 flat angles P-C4'-P energy: -122.589 tors. eta vs tors. theta energy: -171.498 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: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1921.166917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.166917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.166917 (E_RNA) where: Base-Base interactions energy: -1228.374 where: short stacking energy: -554.641 Base-Backbone interact. energy: -4.515 local terms energy: -688.278004 where: bonds (distance) C4'-P energy: -165.100 bonds (distance) P-C4' energy: -156.966 flat angles C4'-P-C4' energy: -166.986 flat angles P-C4'-P energy: -96.507 tors. eta vs tors. theta energy: -102.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1808.381401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.381401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.381401 (E_RNA) where: Base-Base interactions energy: -1172.589 where: short stacking energy: -500.237 Base-Backbone interact. energy: -0.983 local terms energy: -634.809245 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -143.215 flat angles C4'-P-C4' energy: -141.448 flat angles P-C4'-P energy: -108.162 tors. eta vs tors. theta energy: -92.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1404.059229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.059229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.059229 (E_RNA) where: Base-Base interactions energy: -801.243 where: short stacking energy: -405.182 Base-Backbone interact. energy: -3.330 local terms energy: -599.486261 where: bonds (distance) C4'-P energy: -146.771 bonds (distance) P-C4' energy: -157.802 flat angles C4'-P-C4' energy: -137.071 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -58.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -950.896797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.896797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.896797 (E_RNA) where: Base-Base interactions energy: -494.368 where: short stacking energy: -283.848 Base-Backbone interact. energy: -1.181 local terms energy: -455.346924 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -161.709 flat angles C4'-P-C4' energy: -129.028 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: 17.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3212.463457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.463457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.463457 (E_RNA) where: Base-Base interactions energy: -2228.298 where: short stacking energy: -965.946 Base-Backbone interact. energy: -3.650 local terms energy: -980.515344 where: bonds (distance) C4'-P energy: -163.177 bonds (distance) P-C4' energy: -189.483 flat angles C4'-P-C4' energy: -206.432 flat angles P-C4'-P energy: -149.687 tors. eta vs tors. theta energy: -271.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3050.157849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.157849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.157849 (E_RNA) where: Base-Base interactions energy: -2087.427 where: short stacking energy: -913.111 Base-Backbone interact. energy: -7.943 local terms energy: -954.788097 where: bonds (distance) C4'-P energy: -163.524 bonds (distance) P-C4' energy: -183.121 flat angles C4'-P-C4' energy: -197.687 flat angles P-C4'-P energy: -148.719 tors. eta vs tors. theta energy: -261.737 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: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2920.083651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.083651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.083651 (E_RNA) where: Base-Base interactions energy: -1995.176 where: short stacking energy: -859.265 Base-Backbone interact. energy: -3.111 local terms energy: -921.796013 where: bonds (distance) C4'-P energy: -182.749 bonds (distance) P-C4' energy: -177.193 flat angles C4'-P-C4' energy: -186.200 flat angles P-C4'-P energy: -133.521 tors. eta vs tors. theta energy: -242.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2784.808581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.808581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.808581 (E_RNA) where: Base-Base interactions energy: -1912.512 where: short stacking energy: -796.001 Base-Backbone interact. energy: -3.635 local terms energy: -868.661514 where: bonds (distance) C4'-P energy: -142.303 bonds (distance) P-C4' energy: -167.146 flat angles C4'-P-C4' energy: -183.377 flat angles P-C4'-P energy: -162.732 tors. eta vs tors. theta energy: -213.104 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: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2717.497161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.497161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.497161 (E_RNA) where: Base-Base interactions energy: -1820.102 where: short stacking energy: -794.984 Base-Backbone interact. energy: -1.736 local terms energy: -895.658988 where: bonds (distance) C4'-P energy: -173.695 bonds (distance) P-C4' energy: -160.056 flat angles C4'-P-C4' energy: -210.277 flat angles P-C4'-P energy: -122.940 tors. eta vs tors. theta energy: -228.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2416.561307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.561307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.561307 (E_RNA) where: Base-Base interactions energy: -1658.279 where: short stacking energy: -754.278 Base-Backbone interact. energy: -1.034 local terms energy: -757.248676 where: bonds (distance) C4'-P energy: -127.930 bonds (distance) P-C4' energy: -170.976 flat angles C4'-P-C4' energy: -171.975 flat angles P-C4'-P energy: -107.151 tors. eta vs tors. theta energy: -179.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1908.452368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.452368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.452368 (E_RNA) where: Base-Base interactions energy: -1216.868 where: short stacking energy: -597.576 Base-Backbone interact. energy: 2.279 local terms energy: -693.863105 where: bonds (distance) C4'-P energy: -149.555 bonds (distance) P-C4' energy: -156.386 flat angles C4'-P-C4' energy: -151.392 flat angles P-C4'-P energy: -108.377 tors. eta vs tors. theta energy: -128.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1801.520570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.520570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.520570 (E_RNA) where: Base-Base interactions energy: -1122.562 where: short stacking energy: -510.986 Base-Backbone interact. energy: 1.772 local terms energy: -680.730096 where: bonds (distance) C4'-P energy: -163.563 bonds (distance) P-C4' energy: -139.415 flat angles C4'-P-C4' energy: -170.763 flat angles P-C4'-P energy: -97.188 tors. eta vs tors. theta energy: -109.801 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: 359 Temperature: 1.300000 Total energy: -1379.198184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.198184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.198184 (E_RNA) where: Base-Base interactions energy: -846.289 where: short stacking energy: -420.940 Base-Backbone interact. energy: 2.266 local terms energy: -535.175755 where: bonds (distance) C4'-P energy: -139.254 bonds (distance) P-C4' energy: -150.590 flat angles C4'-P-C4' energy: -118.867 flat angles P-C4'-P energy: -74.707 tors. eta vs tors. theta energy: -51.758 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: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -957.890402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.890402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.890402 (E_RNA) where: Base-Base interactions energy: -487.395 where: short stacking energy: -289.273 Base-Backbone interact. energy: -1.982 local terms energy: -468.513293 where: bonds (distance) C4'-P energy: -139.867 bonds (distance) P-C4' energy: -153.680 flat angles C4'-P-C4' energy: -153.324 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: 20.453 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: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3205.156720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.156720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.156720 (E_RNA) where: Base-Base interactions energy: -2207.454 where: short stacking energy: -973.201 Base-Backbone interact. energy: -6.333 local terms energy: -991.370043 where: bonds (distance) C4'-P energy: -185.585 bonds (distance) P-C4' energy: -180.348 flat angles C4'-P-C4' energy: -210.185 flat angles P-C4'-P energy: -148.121 tors. eta vs tors. theta energy: -267.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3048.844697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.844697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.844697 (E_RNA) where: Base-Base interactions energy: -2109.645 where: short stacking energy: -898.446 Base-Backbone interact. energy: -2.652 local terms energy: -936.547360 where: bonds (distance) C4'-P energy: -164.080 bonds (distance) P-C4' energy: -191.198 flat angles C4'-P-C4' energy: -190.354 flat angles P-C4'-P energy: -132.487 tors. eta vs tors. theta energy: -258.428 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: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2917.422855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.422855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.422855 (E_RNA) where: Base-Base interactions energy: -1992.176 where: short stacking energy: -879.927 Base-Backbone interact. energy: -4.499 local terms energy: -920.748015 where: bonds (distance) C4'-P energy: -150.474 bonds (distance) P-C4' energy: -187.304 flat angles C4'-P-C4' energy: -190.654 flat angles P-C4'-P energy: -136.298 tors. eta vs tors. theta energy: -256.018 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: 360 Temperature: 1.050000 Total energy: -2764.664890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.664890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.664890 (E_RNA) where: Base-Base interactions energy: -1908.032 where: short stacking energy: -845.361 Base-Backbone interact. energy: 5.696 local terms energy: -862.329091 where: bonds (distance) C4'-P energy: -157.604 bonds (distance) P-C4' energy: -180.884 flat angles C4'-P-C4' energy: -188.470 flat angles P-C4'-P energy: -114.437 tors. eta vs tors. theta energy: -220.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2689.594532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.594532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.594532 (E_RNA) where: Base-Base interactions energy: -1844.642 where: short stacking energy: -801.055 Base-Backbone interact. energy: -3.196 local terms energy: -841.756589 where: bonds (distance) C4'-P energy: -149.825 bonds (distance) P-C4' energy: -155.555 flat angles C4'-P-C4' energy: -183.876 flat angles P-C4'-P energy: -132.571 tors. eta vs tors. theta energy: -219.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2369.674281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.674281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.674281 (E_RNA) where: Base-Base interactions energy: -1616.488 where: short stacking energy: -706.628 Base-Backbone interact. energy: 1.387 local terms energy: -754.572529 where: bonds (distance) C4'-P energy: -157.125 bonds (distance) P-C4' energy: -143.976 flat angles C4'-P-C4' energy: -174.275 flat angles P-C4'-P energy: -101.007 tors. eta vs tors. theta energy: -178.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1887.015152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.015152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.015152 (E_RNA) where: Base-Base interactions energy: -1233.083 where: short stacking energy: -557.926 Base-Backbone interact. energy: -2.832 local terms energy: -651.100250 where: bonds (distance) C4'-P energy: -149.174 bonds (distance) P-C4' energy: -147.169 flat angles C4'-P-C4' energy: -152.065 flat angles P-C4'-P energy: -80.779 tors. eta vs tors. theta energy: -121.913 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: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1810.489883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.489883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.489883 (E_RNA) where: Base-Base interactions energy: -1166.038 where: short stacking energy: -542.686 Base-Backbone interact. energy: -2.680 local terms energy: -641.771815 where: bonds (distance) C4'-P energy: -143.534 bonds (distance) P-C4' energy: -154.193 flat angles C4'-P-C4' energy: -158.764 flat angles P-C4'-P energy: -92.629 tors. eta vs tors. theta energy: -92.653 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1506.817235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.817235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.817235 (E_RNA) where: Base-Base interactions energy: -903.759 where: short stacking energy: -437.632 Base-Backbone interact. energy: -5.695 local terms energy: -597.363361 where: bonds (distance) C4'-P energy: -128.099 bonds (distance) P-C4' energy: -155.191 flat angles C4'-P-C4' energy: -138.212 flat angles P-C4'-P energy: -102.502 tors. eta vs tors. theta energy: -73.359 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: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -926.374651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.374651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.374651 (E_RNA) where: Base-Base interactions energy: -464.021 where: short stacking energy: -247.697 Base-Backbone interact. energy: 2.854 local terms energy: -465.208000 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -148.658 flat angles C4'-P-C4' energy: -130.996 flat angles P-C4'-P energy: -85.398 tors. eta vs tors. theta energy: 21.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3196.265426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.265426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.265426 (E_RNA) where: Base-Base interactions energy: -2213.428 where: short stacking energy: -958.026 Base-Backbone interact. energy: -8.051 local terms energy: -974.785854 where: bonds (distance) C4'-P energy: -181.727 bonds (distance) P-C4' energy: -176.380 flat angles C4'-P-C4' energy: -213.561 flat angles P-C4'-P energy: -126.054 tors. eta vs tors. theta energy: -277.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3069.789720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.789720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.789720 (E_RNA) where: Base-Base interactions energy: -2103.886 where: short stacking energy: -917.920 Base-Backbone interact. energy: -1.416 local terms energy: -964.488295 where: bonds (distance) C4'-P energy: -177.180 bonds (distance) P-C4' energy: -201.941 flat angles C4'-P-C4' energy: -201.373 flat angles P-C4'-P energy: -119.902 tors. eta vs tors. theta energy: -264.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2937.494938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.494938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.494938 (E_RNA) where: Base-Base interactions energy: -2007.911 where: short stacking energy: -838.491 Base-Backbone interact. energy: -2.930 local terms energy: -926.653345 where: bonds (distance) C4'-P energy: -173.673 bonds (distance) P-C4' energy: -173.215 flat angles C4'-P-C4' energy: -198.233 flat angles P-C4'-P energy: -134.327 tors. eta vs tors. theta energy: -247.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2772.372196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.372196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.372196 (E_RNA) where: Base-Base interactions energy: -1920.127 where: short stacking energy: -804.427 Base-Backbone interact. energy: -0.082 local terms energy: -852.163031 where: bonds (distance) C4'-P energy: -171.907 bonds (distance) P-C4' energy: -168.616 flat angles C4'-P-C4' energy: -178.428 flat angles P-C4'-P energy: -122.832 tors. eta vs tors. theta energy: -210.380 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: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2705.068389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.068389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.068389 (E_RNA) where: Base-Base interactions energy: -1886.810 where: short stacking energy: -775.965 Base-Backbone interact. energy: -0.354 local terms energy: -817.904174 where: bonds (distance) C4'-P energy: -166.517 bonds (distance) P-C4' energy: -142.386 flat angles C4'-P-C4' energy: -186.050 flat angles P-C4'-P energy: -117.995 tors. eta vs tors. theta energy: -204.957 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: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2405.597117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.597117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.597117 (E_RNA) where: Base-Base interactions energy: -1633.552 where: short stacking energy: -719.431 Base-Backbone interact. energy: -2.543 local terms energy: -769.502719 where: bonds (distance) C4'-P energy: -173.791 bonds (distance) P-C4' energy: -165.397 flat angles C4'-P-C4' energy: -159.804 flat angles P-C4'-P energy: -103.827 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: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1886.856901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.856901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.856901 (E_RNA) where: Base-Base interactions energy: -1150.848 where: short stacking energy: -527.195 Base-Backbone interact. energy: -3.314 local terms energy: -732.694732 where: bonds (distance) C4'-P energy: -165.994 bonds (distance) P-C4' energy: -180.366 flat angles C4'-P-C4' energy: -147.538 flat angles P-C4'-P energy: -116.928 tors. eta vs tors. theta energy: -121.868 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: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1747.980193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.980193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.980193 (E_RNA) where: Base-Base interactions energy: -1140.965 where: short stacking energy: -519.243 Base-Backbone interact. energy: 0.181 local terms energy: -607.196524 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -160.519 flat angles C4'-P-C4' energy: -131.967 flat angles P-C4'-P energy: -95.316 tors. eta vs tors. theta energy: -82.960 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1499.126607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.126607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.126607 (E_RNA) where: Base-Base interactions energy: -908.824 where: short stacking energy: -440.189 Base-Backbone interact. energy: 6.783 local terms energy: -597.085521 where: bonds (distance) C4'-P energy: -151.695 bonds (distance) P-C4' energy: -163.235 flat angles C4'-P-C4' energy: -129.386 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -56.173 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: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -944.206170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.206170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.206170 (E_RNA) where: Base-Base interactions energy: -488.953 where: short stacking energy: -281.849 Base-Backbone interact. energy: 2.427 local terms energy: -457.680749 where: bonds (distance) C4'-P energy: -142.170 bonds (distance) P-C4' energy: -139.193 flat angles C4'-P-C4' energy: -126.951 flat angles P-C4'-P energy: -54.454 tors. eta vs tors. theta energy: 5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3234.516059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.516059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.516059 (E_RNA) where: Base-Base interactions energy: -2235.715 where: short stacking energy: -972.031 Base-Backbone interact. energy: -10.419 local terms energy: -988.382950 where: bonds (distance) C4'-P energy: -173.754 bonds (distance) P-C4' energy: -190.803 flat angles C4'-P-C4' energy: -207.210 flat angles P-C4'-P energy: -149.078 tors. eta vs tors. theta energy: -267.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3067.900653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.900653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.900653 (E_RNA) where: Base-Base interactions energy: -2125.002 where: short stacking energy: -914.687 Base-Backbone interact. energy: -5.170 local terms energy: -937.728453 where: bonds (distance) C4'-P energy: -174.460 bonds (distance) P-C4' energy: -162.109 flat angles C4'-P-C4' energy: -201.523 flat angles P-C4'-P energy: -140.468 tors. eta vs tors. theta energy: -259.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2983.599242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.599242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.599242 (E_RNA) where: Base-Base interactions energy: -2051.999 where: short stacking energy: -899.064 Base-Backbone interact. energy: -2.869 local terms energy: -928.731787 where: bonds (distance) C4'-P energy: -157.997 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -203.571 flat angles P-C4'-P energy: -145.449 tors. eta vs tors. theta energy: -261.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2759.708840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.708840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.708840 (E_RNA) where: Base-Base interactions energy: -1905.775 where: short stacking energy: -815.301 Base-Backbone interact. energy: 1.050 local terms energy: -854.983960 where: bonds (distance) C4'-P energy: -156.854 bonds (distance) P-C4' energy: -157.762 flat angles C4'-P-C4' energy: -186.174 flat angles P-C4'-P energy: -136.170 tors. eta vs tors. theta energy: -218.025 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: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2799.390011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.390011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.390011 (E_RNA) where: Base-Base interactions energy: -1945.831 where: short stacking energy: -840.273 Base-Backbone interact. energy: -3.756 local terms energy: -849.802342 where: bonds (distance) C4'-P energy: -160.197 bonds (distance) P-C4' energy: -150.226 flat angles C4'-P-C4' energy: -183.160 flat angles P-C4'-P energy: -113.898 tors. eta vs tors. theta energy: -242.322 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: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2387.441890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.441890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.441890 (E_RNA) where: Base-Base interactions energy: -1598.035 where: short stacking energy: -703.740 Base-Backbone interact. energy: -3.887 local terms energy: -785.519861 where: bonds (distance) C4'-P energy: -147.061 bonds (distance) P-C4' energy: -162.142 flat angles C4'-P-C4' energy: -167.585 flat angles P-C4'-P energy: -123.982 tors. eta vs tors. theta energy: -184.750 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: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1904.016462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.016462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.016462 (E_RNA) where: Base-Base interactions energy: -1232.108 where: short stacking energy: -568.248 Base-Backbone interact. energy: -4.687 local terms energy: -667.221182 where: bonds (distance) C4'-P energy: -155.174 bonds (distance) P-C4' energy: -153.565 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -85.021 tors. eta vs tors. theta energy: -107.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1786.163893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.163893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.163893 (E_RNA) where: Base-Base interactions energy: -1132.657 where: short stacking energy: -479.723 Base-Backbone interact. energy: -3.251 local terms energy: -650.256209 where: bonds (distance) C4'-P energy: -137.744 bonds (distance) P-C4' energy: -157.136 flat angles C4'-P-C4' energy: -167.883 flat angles P-C4'-P energy: -102.620 tors. eta vs tors. theta energy: -84.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1380.921073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.921073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.921073 (E_RNA) where: Base-Base interactions energy: -794.097 where: short stacking energy: -408.923 Base-Backbone interact. energy: 0.309 local terms energy: -587.132737 where: bonds (distance) C4'-P energy: -147.709 bonds (distance) P-C4' energy: -158.811 flat angles C4'-P-C4' energy: -134.042 flat angles P-C4'-P energy: -98.623 tors. eta vs tors. theta energy: -47.949 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: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -905.246518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.246518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.246518 (E_RNA) where: Base-Base interactions energy: -422.119 where: short stacking energy: -245.579 Base-Backbone interact. energy: 3.347 local terms energy: -486.474383 where: bonds (distance) C4'-P energy: -160.121 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -73.623 tors. eta vs tors. theta energy: 17.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3208.048320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.048320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.048320 (E_RNA) where: Base-Base interactions energy: -2227.052 where: short stacking energy: -947.666 Base-Backbone interact. energy: -8.343 local terms energy: -972.653503 where: bonds (distance) C4'-P energy: -179.368 bonds (distance) P-C4' energy: -175.054 flat angles C4'-P-C4' energy: -206.916 flat angles P-C4'-P energy: -146.996 tors. eta vs tors. theta energy: -264.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3072.165825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.165825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.165825 (E_RNA) where: Base-Base interactions energy: -2132.345 where: short stacking energy: -946.860 Base-Backbone interact. energy: -2.576 local terms energy: -937.244620 where: bonds (distance) C4'-P energy: -178.119 bonds (distance) P-C4' energy: -171.615 flat angles C4'-P-C4' energy: -186.742 flat angles P-C4'-P energy: -132.332 tors. eta vs tors. theta energy: -268.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2919.263903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.263903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.263903 (E_RNA) where: Base-Base interactions energy: -1985.652 where: short stacking energy: -881.977 Base-Backbone interact. energy: -2.680 local terms energy: -930.931870 where: bonds (distance) C4'-P energy: -158.286 bonds (distance) P-C4' energy: -184.522 flat angles C4'-P-C4' energy: -193.529 flat angles P-C4'-P energy: -136.637 tors. eta vs tors. theta energy: -257.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2732.617176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.617176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.617176 (E_RNA) where: Base-Base interactions energy: -1889.807 where: short stacking energy: -797.890 Base-Backbone interact. energy: -3.472 local terms energy: -839.337965 where: bonds (distance) C4'-P energy: -167.529 bonds (distance) P-C4' energy: -171.116 flat angles C4'-P-C4' energy: -179.912 flat angles P-C4'-P energy: -115.767 tors. eta vs tors. theta energy: -205.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2706.684144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.684144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.684144 (E_RNA) where: Base-Base interactions energy: -1828.368 where: short stacking energy: -815.933 Base-Backbone interact. energy: -1.209 local terms energy: -877.106958 where: bonds (distance) C4'-P energy: -157.024 bonds (distance) P-C4' energy: -164.773 flat angles C4'-P-C4' energy: -201.658 flat angles P-C4'-P energy: -132.691 tors. eta vs tors. theta energy: -220.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2353.920362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.920362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.920362 (E_RNA) where: Base-Base interactions energy: -1576.403 where: short stacking energy: -675.558 Base-Backbone interact. energy: -5.605 local terms energy: -771.912447 where: bonds (distance) C4'-P energy: -148.983 bonds (distance) P-C4' energy: -170.648 flat angles C4'-P-C4' energy: -174.385 flat angles P-C4'-P energy: -94.629 tors. eta vs tors. theta energy: -183.269 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: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1971.576707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.576707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.576707 (E_RNA) where: Base-Base interactions energy: -1299.766 where: short stacking energy: -580.655 Base-Backbone interact. energy: -0.247 local terms energy: -671.563403 where: bonds (distance) C4'-P energy: -137.706 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -163.141 flat angles P-C4'-P energy: -102.740 tors. eta vs tors. theta energy: -124.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1711.680045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.680045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.680045 (E_RNA) where: Base-Base interactions energy: -1092.272 where: short stacking energy: -452.755 Base-Backbone interact. energy: -0.226 local terms energy: -619.182392 where: bonds (distance) C4'-P energy: -138.285 bonds (distance) P-C4' energy: -171.212 flat angles C4'-P-C4' energy: -161.035 flat angles P-C4'-P energy: -82.480 tors. eta vs tors. theta energy: -66.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1405.912470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.912470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.912470 (E_RNA) where: Base-Base interactions energy: -843.238 where: short stacking energy: -415.862 Base-Backbone interact. energy: -4.110 local terms energy: -558.563857 where: bonds (distance) C4'-P energy: -145.211 bonds (distance) P-C4' energy: -162.119 flat angles C4'-P-C4' energy: -136.342 flat angles P-C4'-P energy: -58.507 tors. eta vs tors. theta energy: -56.385 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: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -942.714314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.714314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.714314 (E_RNA) where: Base-Base interactions energy: -467.534 where: short stacking energy: -274.512 Base-Backbone interact. energy: -2.518 local terms energy: -472.662166 where: bonds (distance) C4'-P energy: -156.958 bonds (distance) P-C4' energy: -148.102 flat angles C4'-P-C4' energy: -125.012 flat angles P-C4'-P energy: -50.710 tors. eta vs tors. theta energy: 8.120 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: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3196.442071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.442071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.442071 (E_RNA) where: Base-Base interactions energy: -2230.864 where: short stacking energy: -978.610 Base-Backbone interact. energy: -4.531 local terms energy: -961.046710 where: bonds (distance) C4'-P energy: -157.051 bonds (distance) P-C4' energy: -200.280 flat angles C4'-P-C4' energy: -190.203 flat angles P-C4'-P energy: -140.496 tors. eta vs tors. theta energy: -273.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3143.665557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.665557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.665557 (E_RNA) where: Base-Base interactions energy: -2171.588 where: short stacking energy: -991.545 Base-Backbone interact. energy: -4.887 local terms energy: -967.190911 where: bonds (distance) C4'-P energy: -171.406 bonds (distance) P-C4' energy: -177.392 flat angles C4'-P-C4' energy: -214.555 flat angles P-C4'-P energy: -129.541 tors. eta vs tors. theta energy: -274.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2916.844630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.844630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.844630 (E_RNA) where: Base-Base interactions energy: -2019.445 where: short stacking energy: -875.092 Base-Backbone interact. energy: -4.017 local terms energy: -893.382200 where: bonds (distance) C4'-P energy: -181.022 bonds (distance) P-C4' energy: -168.628 flat angles C4'-P-C4' energy: -193.555 flat angles P-C4'-P energy: -109.107 tors. eta vs tors. theta energy: -241.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2725.579388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.579388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.579388 (E_RNA) where: Base-Base interactions energy: -1829.288 where: short stacking energy: -801.058 Base-Backbone interact. energy: 2.026 local terms energy: -898.317309 where: bonds (distance) C4'-P energy: -172.584 bonds (distance) P-C4' energy: -176.356 flat angles C4'-P-C4' energy: -190.185 flat angles P-C4'-P energy: -129.490 tors. eta vs tors. theta energy: -229.702 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: 364 Temperature: 1.100000 Total energy: -2698.570111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.570111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.570111 (E_RNA) where: Base-Base interactions energy: -1842.122 where: short stacking energy: -824.036 Base-Backbone interact. energy: -3.081 local terms energy: -853.367091 where: bonds (distance) C4'-P energy: -157.904 bonds (distance) P-C4' energy: -164.111 flat angles C4'-P-C4' energy: -183.823 flat angles P-C4'-P energy: -122.616 tors. eta vs tors. theta energy: -224.913 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: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2398.061000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.061000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.061000 (E_RNA) where: Base-Base interactions energy: -1606.659 where: short stacking energy: -710.550 Base-Backbone interact. energy: 2.396 local terms energy: -793.798830 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -169.634 flat angles C4'-P-C4' energy: -184.111 flat angles P-C4'-P energy: -115.354 tors. eta vs tors. theta energy: -178.870 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: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1869.874515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.874515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.874515 (E_RNA) where: Base-Base interactions energy: -1241.525 where: short stacking energy: -559.802 Base-Backbone interact. energy: 0.967 local terms energy: -629.316161 where: bonds (distance) C4'-P energy: -134.132 bonds (distance) P-C4' energy: -168.140 flat angles C4'-P-C4' energy: -140.348 flat angles P-C4'-P energy: -89.407 tors. eta vs tors. theta energy: -97.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1799.703941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.703941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.703941 (E_RNA) where: Base-Base interactions energy: -1173.310 where: short stacking energy: -512.120 Base-Backbone interact. energy: 6.339 local terms energy: -632.732200 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -163.145 flat angles C4'-P-C4' energy: -159.478 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -86.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1471.697285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.697285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.697285 (E_RNA) where: Base-Base interactions energy: -916.959 where: short stacking energy: -460.016 Base-Backbone interact. energy: 1.558 local terms energy: -556.296328 where: bonds (distance) C4'-P energy: -133.703 bonds (distance) P-C4' energy: -142.294 flat angles C4'-P-C4' energy: -139.861 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -68.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -975.041847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.041847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.041847 (E_RNA) where: Base-Base interactions energy: -493.330 where: short stacking energy: -308.589 Base-Backbone interact. energy: 0.059 local terms energy: -481.770695 where: bonds (distance) C4'-P energy: -137.756 bonds (distance) P-C4' energy: -149.029 flat angles C4'-P-C4' energy: -122.931 flat angles P-C4'-P energy: -55.977 tors. eta vs tors. theta energy: -16.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3222.877605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.877605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.877605 (E_RNA) where: Base-Base interactions energy: -2211.601 where: short stacking energy: -949.528 Base-Backbone interact. energy: -7.286 local terms energy: -1003.990927 where: bonds (distance) C4'-P energy: -191.067 bonds (distance) P-C4' energy: -193.365 flat angles C4'-P-C4' energy: -200.690 flat angles P-C4'-P energy: -135.988 tors. eta vs tors. theta energy: -282.881 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: 9 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3116.146382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.146382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.146382 (E_RNA) where: Base-Base interactions energy: -2139.418 where: short stacking energy: -959.189 Base-Backbone interact. energy: -3.767 local terms energy: -972.960907 where: bonds (distance) C4'-P energy: -173.279 bonds (distance) P-C4' energy: -177.355 flat angles C4'-P-C4' energy: -202.668 flat angles P-C4'-P energy: -144.652 tors. eta vs tors. theta energy: -275.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2979.445746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.445746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.445746 (E_RNA) where: Base-Base interactions energy: -2063.659 where: short stacking energy: -902.988 Base-Backbone interact. energy: -3.560 local terms energy: -912.226905 where: bonds (distance) C4'-P energy: -162.802 bonds (distance) P-C4' energy: -167.828 flat angles C4'-P-C4' energy: -201.636 flat angles P-C4'-P energy: -127.500 tors. eta vs tors. theta energy: -252.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2738.394308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.394308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.394308 (E_RNA) where: Base-Base interactions energy: -1877.993 where: short stacking energy: -817.240 Base-Backbone interact. energy: 1.715 local terms energy: -862.116154 where: bonds (distance) C4'-P energy: -175.193 bonds (distance) P-C4' energy: -160.426 flat angles C4'-P-C4' energy: -178.833 flat angles P-C4'-P energy: -119.592 tors. eta vs tors. theta energy: -228.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2674.730727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.730727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.730727 (E_RNA) where: Base-Base interactions energy: -1810.482 where: short stacking energy: -767.254 Base-Backbone interact. energy: -4.535 local terms energy: -859.713578 where: bonds (distance) C4'-P energy: -163.106 bonds (distance) P-C4' energy: -172.077 flat angles C4'-P-C4' energy: -196.106 flat angles P-C4'-P energy: -131.191 tors. eta vs tors. theta energy: -197.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2377.200319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.200319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.200319 (E_RNA) where: Base-Base interactions energy: -1585.804 where: short stacking energy: -697.389 Base-Backbone interact. energy: -3.899 local terms energy: -787.496623 where: bonds (distance) C4'-P energy: -163.426 bonds (distance) P-C4' energy: -172.992 flat angles C4'-P-C4' energy: -179.429 flat angles P-C4'-P energy: -100.245 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: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1918.468260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.468260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.468260 (E_RNA) where: Base-Base interactions energy: -1245.815 where: short stacking energy: -574.532 Base-Backbone interact. energy: -2.773 local terms energy: -669.880922 where: bonds (distance) C4'-P energy: -151.066 bonds (distance) P-C4' energy: -149.680 flat angles C4'-P-C4' energy: -145.730 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -121.813 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: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1897.764942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.764942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.764942 (E_RNA) where: Base-Base interactions energy: -1230.947 where: short stacking energy: -555.635 Base-Backbone interact. energy: -1.414 local terms energy: -665.404040 where: bonds (distance) C4'-P energy: -146.049 bonds (distance) P-C4' energy: -148.647 flat angles C4'-P-C4' energy: -160.253 flat angles P-C4'-P energy: -93.706 tors. eta vs tors. theta energy: -116.748 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: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1408.870035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.870035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.870035 (E_RNA) where: Base-Base interactions energy: -840.086 where: short stacking energy: -389.948 Base-Backbone interact. energy: -1.288 local terms energy: -567.495746 where: bonds (distance) C4'-P energy: -166.659 bonds (distance) P-C4' energy: -142.122 flat angles C4'-P-C4' energy: -140.947 flat angles P-C4'-P energy: -92.519 tors. eta vs tors. theta energy: -25.249 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: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -924.601155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.601155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.601155 (E_RNA) where: Base-Base interactions energy: -446.005 where: short stacking energy: -281.707 Base-Backbone interact. energy: 2.201 local terms energy: -480.797704 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -153.599 flat angles C4'-P-C4' energy: -117.742 flat angles P-C4'-P energy: -72.592 tors. eta vs tors. theta energy: 4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3244.633100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.633100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.633100 (E_RNA) where: Base-Base interactions energy: -2222.060 where: short stacking energy: -949.978 Base-Backbone interact. energy: -7.813 local terms energy: -1014.760012 where: bonds (distance) C4'-P energy: -186.990 bonds (distance) P-C4' energy: -196.388 flat angles C4'-P-C4' energy: -224.346 flat angles P-C4'-P energy: -131.944 tors. eta vs tors. theta energy: -275.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3128.314864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.314864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.314864 (E_RNA) where: Base-Base interactions energy: -2157.029 where: short stacking energy: -963.522 Base-Backbone interact. energy: 1.348 local terms energy: -972.633734 where: bonds (distance) C4'-P energy: -166.355 bonds (distance) P-C4' energy: -187.069 flat angles C4'-P-C4' energy: -203.331 flat angles P-C4'-P energy: -138.835 tors. eta vs tors. theta energy: -277.044 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: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2950.964387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.964387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.964387 (E_RNA) where: Base-Base interactions energy: -2044.901 where: short stacking energy: -891.095 Base-Backbone interact. energy: 0.898 local terms energy: -906.961036 where: bonds (distance) C4'-P energy: -158.512 bonds (distance) P-C4' energy: -175.829 flat angles C4'-P-C4' energy: -188.507 flat angles P-C4'-P energy: -131.287 tors. eta vs tors. theta energy: -252.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2796.687834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.687834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.687834 (E_RNA) where: Base-Base interactions energy: -1903.285 where: short stacking energy: -845.261 Base-Backbone interact. energy: -4.535 local terms energy: -888.868466 where: bonds (distance) C4'-P energy: -154.225 bonds (distance) P-C4' energy: -176.056 flat angles C4'-P-C4' energy: -193.021 flat angles P-C4'-P energy: -135.617 tors. eta vs tors. theta energy: -229.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2682.676595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.676595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.676595 (E_RNA) where: Base-Base interactions energy: -1837.543 where: short stacking energy: -760.121 Base-Backbone interact. energy: 1.196 local terms energy: -846.329760 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -167.606 flat angles C4'-P-C4' energy: -202.542 flat angles P-C4'-P energy: -132.013 tors. eta vs tors. theta energy: -200.725 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2419.847418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.847418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.847418 (E_RNA) where: Base-Base interactions energy: -1606.166 where: short stacking energy: -736.088 Base-Backbone interact. energy: -2.633 local terms energy: -811.049019 where: bonds (distance) C4'-P energy: -166.035 bonds (distance) P-C4' energy: -143.971 flat angles C4'-P-C4' energy: -183.044 flat angles P-C4'-P energy: -126.291 tors. eta vs tors. theta energy: -191.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1905.204435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.204435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.204435 (E_RNA) where: Base-Base interactions energy: -1208.826 where: short stacking energy: -547.391 Base-Backbone interact. energy: -0.751 local terms energy: -695.627153 where: bonds (distance) C4'-P energy: -162.265 bonds (distance) P-C4' energy: -156.129 flat angles C4'-P-C4' energy: -161.780 flat angles P-C4'-P energy: -104.209 tors. eta vs tors. theta energy: -111.244 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: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1793.144264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.144264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.144264 (E_RNA) where: Base-Base interactions energy: -1156.038 where: short stacking energy: -498.953 Base-Backbone interact. energy: 3.853 local terms energy: -640.959168 where: bonds (distance) C4'-P energy: -140.660 bonds (distance) P-C4' energy: -155.174 flat angles C4'-P-C4' energy: -164.528 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -82.453 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: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1412.551717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.551717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.551717 (E_RNA) where: Base-Base interactions energy: -826.516 where: short stacking energy: -363.572 Base-Backbone interact. energy: 2.944 local terms energy: -588.980170 where: bonds (distance) C4'-P energy: -143.148 bonds (distance) P-C4' energy: -163.452 flat angles C4'-P-C4' energy: -169.098 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -19.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -962.822611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.822611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.822611 (E_RNA) where: Base-Base interactions energy: -513.287 where: short stacking energy: -285.027 Base-Backbone interact. energy: 14.688 local terms energy: -464.223880 where: bonds (distance) C4'-P energy: -145.224 bonds (distance) P-C4' energy: -150.211 flat angles C4'-P-C4' energy: -99.559 flat angles P-C4'-P energy: -65.938 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3227.576950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.576950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.576950 (E_RNA) where: Base-Base interactions energy: -2248.798 where: short stacking energy: -947.753 Base-Backbone interact. energy: -7.746 local terms energy: -971.032684 where: bonds (distance) C4'-P energy: -180.233 bonds (distance) P-C4' energy: -169.923 flat angles C4'-P-C4' energy: -206.438 flat angles P-C4'-P energy: -136.241 tors. eta vs tors. theta energy: -278.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3050.526170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.526170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.526170 (E_RNA) where: Base-Base interactions energy: -2097.548 where: short stacking energy: -907.934 Base-Backbone interact. energy: -3.747 local terms energy: -949.231198 where: bonds (distance) C4'-P energy: -166.528 bonds (distance) P-C4' energy: -182.465 flat angles C4'-P-C4' energy: -198.650 flat angles P-C4'-P energy: -136.691 tors. eta vs tors. theta energy: -264.897 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -3065.364839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.364839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.364839 (E_RNA) where: Base-Base interactions energy: -2105.742 where: short stacking energy: -915.756 Base-Backbone interact. energy: -2.531 local terms energy: -957.091479 where: bonds (distance) C4'-P energy: -163.157 bonds (distance) P-C4' energy: -166.406 flat angles C4'-P-C4' energy: -219.550 flat angles P-C4'-P energy: -138.138 tors. eta vs tors. theta energy: -269.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2703.665337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.665337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.665337 (E_RNA) where: Base-Base interactions energy: -1823.194 where: short stacking energy: -802.463 Base-Backbone interact. energy: -5.869 local terms energy: -874.602961 where: bonds (distance) C4'-P energy: -170.656 bonds (distance) P-C4' energy: -186.357 flat angles C4'-P-C4' energy: -180.020 flat angles P-C4'-P energy: -115.779 tors. eta vs tors. theta energy: -221.790 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: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2733.335238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.335238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.335238 (E_RNA) where: Base-Base interactions energy: -1914.871 where: short stacking energy: -795.986 Base-Backbone interact. energy: -0.427 local terms energy: -818.036659 where: bonds (distance) C4'-P energy: -157.801 bonds (distance) P-C4' energy: -158.783 flat angles C4'-P-C4' energy: -169.278 flat angles P-C4'-P energy: -115.985 tors. eta vs tors. theta energy: -216.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2403.950064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.950064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.950064 (E_RNA) where: Base-Base interactions energy: -1613.230 where: short stacking energy: -725.857 Base-Backbone interact. energy: -4.086 local terms energy: -786.634052 where: bonds (distance) C4'-P energy: -138.670 bonds (distance) P-C4' energy: -165.380 flat angles C4'-P-C4' energy: -176.978 flat angles P-C4'-P energy: -122.902 tors. eta vs tors. theta energy: -182.703 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: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2033.971761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.971761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.971761 (E_RNA) where: Base-Base interactions energy: -1327.898 where: short stacking energy: -616.569 Base-Backbone interact. energy: 0.727 local terms energy: -706.800131 where: bonds (distance) C4'-P energy: -143.997 bonds (distance) P-C4' energy: -142.367 flat angles C4'-P-C4' energy: -158.975 flat angles P-C4'-P energy: -115.802 tors. eta vs tors. theta energy: -145.660 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: 367 Temperature: 1.250000 Total energy: -1780.197827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.197827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.197827 (E_RNA) where: Base-Base interactions energy: -1131.230 where: short stacking energy: -502.929 Base-Backbone interact. energy: 2.769 local terms energy: -651.737186 where: bonds (distance) C4'-P energy: -149.165 bonds (distance) P-C4' energy: -151.704 flat angles C4'-P-C4' energy: -147.049 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -91.939 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: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1409.553827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.553827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.553827 (E_RNA) where: Base-Base interactions energy: -850.705 where: short stacking energy: -402.126 Base-Backbone interact. energy: -1.591 local terms energy: -557.258356 where: bonds (distance) C4'-P energy: -147.899 bonds (distance) P-C4' energy: -139.003 flat angles C4'-P-C4' energy: -121.067 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -65.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -992.066893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.066893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.066893 (E_RNA) where: Base-Base interactions energy: -509.029 where: short stacking energy: -291.764 Base-Backbone interact. energy: -1.014 local terms energy: -482.023023 where: bonds (distance) C4'-P energy: -149.782 bonds (distance) P-C4' energy: -153.362 flat angles C4'-P-C4' energy: -121.602 flat angles P-C4'-P energy: -67.788 tors. eta vs tors. theta energy: 10.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3216.683172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.683172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.683172 (E_RNA) where: Base-Base interactions energy: -2229.204 where: short stacking energy: -955.592 Base-Backbone interact. energy: -2.355 local terms energy: -985.124496 where: bonds (distance) C4'-P energy: -164.363 bonds (distance) P-C4' energy: -196.281 flat angles C4'-P-C4' energy: -200.792 flat angles P-C4'-P energy: -146.512 tors. eta vs tors. theta energy: -277.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3070.773066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.773066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.773066 (E_RNA) where: Base-Base interactions energy: -2094.653 where: short stacking energy: -941.586 Base-Backbone interact. energy: -2.813 local terms energy: -973.307456 where: bonds (distance) C4'-P energy: -177.362 bonds (distance) P-C4' energy: -162.067 flat angles C4'-P-C4' energy: -199.894 flat angles P-C4'-P energy: -150.864 tors. eta vs tors. theta energy: -283.119 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: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -3030.253694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.253694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.253694 (E_RNA) where: Base-Base interactions energy: -2089.716 where: short stacking energy: -924.921 Base-Backbone interact. energy: -5.944 local terms energy: -934.593680 where: bonds (distance) C4'-P energy: -160.867 bonds (distance) P-C4' energy: -182.117 flat angles C4'-P-C4' energy: -194.157 flat angles P-C4'-P energy: -135.170 tors. eta vs tors. theta energy: -262.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2712.449218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.449218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.449218 (E_RNA) where: Base-Base interactions energy: -1842.624 where: short stacking energy: -802.880 Base-Backbone interact. energy: -4.219 local terms energy: -865.606145 where: bonds (distance) C4'-P energy: -180.501 bonds (distance) P-C4' energy: -155.357 flat angles C4'-P-C4' energy: -190.958 flat angles P-C4'-P energy: -116.771 tors. eta vs tors. theta energy: -222.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2813.269337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.269337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.269337 (E_RNA) where: Base-Base interactions energy: -1947.732 where: short stacking energy: -856.491 Base-Backbone interact. energy: -2.014 local terms energy: -863.523817 where: bonds (distance) C4'-P energy: -161.162 bonds (distance) P-C4' energy: -147.622 flat angles C4'-P-C4' energy: -186.613 flat angles P-C4'-P energy: -123.712 tors. eta vs tors. theta energy: -244.416 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: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2403.415863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.415863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.415863 (E_RNA) where: Base-Base interactions energy: -1645.228 where: short stacking energy: -709.016 Base-Backbone interact. energy: -1.431 local terms energy: -756.756782 where: bonds (distance) C4'-P energy: -141.279 bonds (distance) P-C4' energy: -167.824 flat angles C4'-P-C4' energy: -174.513 flat angles P-C4'-P energy: -105.793 tors. eta vs tors. theta energy: -167.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2104.587051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.587051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.587051 (E_RNA) where: Base-Base interactions energy: -1402.614 where: short stacking energy: -631.177 Base-Backbone interact. energy: -1.042 local terms energy: -700.931482 where: bonds (distance) C4'-P energy: -143.552 bonds (distance) P-C4' energy: -171.750 flat angles C4'-P-C4' energy: -157.983 flat angles P-C4'-P energy: -91.307 tors. eta vs tors. theta energy: -136.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1769.797462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.797462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.797462 (E_RNA) where: Base-Base interactions energy: -1124.009 where: short stacking energy: -530.117 Base-Backbone interact. energy: -3.880 local terms energy: -641.908468 where: bonds (distance) C4'-P energy: -151.108 bonds (distance) P-C4' energy: -139.576 flat angles C4'-P-C4' energy: -145.294 flat angles P-C4'-P energy: -89.003 tors. eta vs tors. theta energy: -116.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1427.305249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.305249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.305249 (E_RNA) where: Base-Base interactions energy: -890.342 where: short stacking energy: -403.263 Base-Backbone interact. energy: 0.949 local terms energy: -537.912893 where: bonds (distance) C4'-P energy: -140.731 bonds (distance) P-C4' energy: -149.062 flat angles C4'-P-C4' energy: -147.777 flat angles P-C4'-P energy: -55.053 tors. eta vs tors. theta energy: -45.290 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: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -989.079063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.079063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.079063 (E_RNA) where: Base-Base interactions energy: -487.203 where: short stacking energy: -269.941 Base-Backbone interact. energy: 4.403 local terms energy: -506.278690 where: bonds (distance) C4'-P energy: -159.085 bonds (distance) P-C4' energy: -133.728 flat angles C4'-P-C4' energy: -153.613 flat angles P-C4'-P energy: -67.885 tors. eta vs tors. theta energy: 8.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3190.428353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.428353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.428353 (E_RNA) where: Base-Base interactions energy: -2167.288 where: short stacking energy: -924.841 Base-Backbone interact. energy: -4.481 local terms energy: -1018.659128 where: bonds (distance) C4'-P energy: -192.500 bonds (distance) P-C4' energy: -182.366 flat angles C4'-P-C4' energy: -224.197 flat angles P-C4'-P energy: -144.606 tors. eta vs tors. theta energy: -274.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3055.214479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.214479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.214479 (E_RNA) where: Base-Base interactions energy: -2091.192 where: short stacking energy: -913.204 Base-Backbone interact. energy: 0.366 local terms energy: -964.387992 where: bonds (distance) C4'-P energy: -167.267 bonds (distance) P-C4' energy: -197.893 flat angles C4'-P-C4' energy: -194.507 flat angles P-C4'-P energy: -144.356 tors. eta vs tors. theta energy: -260.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -3044.329871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.329871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.329871 (E_RNA) where: Base-Base interactions energy: -2124.621 where: short stacking energy: -897.889 Base-Backbone interact. energy: 0.197 local terms energy: -919.906762 where: bonds (distance) C4'-P energy: -161.496 bonds (distance) P-C4' energy: -177.760 flat angles C4'-P-C4' energy: -202.780 flat angles P-C4'-P energy: -128.649 tors. eta vs tors. theta energy: -249.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2738.187813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.187813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.187813 (E_RNA) where: Base-Base interactions energy: -1888.422 where: short stacking energy: -795.765 Base-Backbone interact. energy: -3.105 local terms energy: -846.660623 where: bonds (distance) C4'-P energy: -153.161 bonds (distance) P-C4' energy: -165.849 flat angles C4'-P-C4' energy: -183.749 flat angles P-C4'-P energy: -123.353 tors. eta vs tors. theta energy: -220.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2618.010982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.010982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.010982 (E_RNA) where: Base-Base interactions energy: -1801.676 where: short stacking energy: -767.751 Base-Backbone interact. energy: -2.632 local terms energy: -813.702590 where: bonds (distance) C4'-P energy: -169.082 bonds (distance) P-C4' energy: -136.852 flat angles C4'-P-C4' energy: -187.324 flat angles P-C4'-P energy: -114.840 tors. eta vs tors. theta energy: -205.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2394.923058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.923058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.923058 (E_RNA) where: Base-Base interactions energy: -1647.644 where: short stacking energy: -669.442 Base-Backbone interact. energy: -2.011 local terms energy: -745.268351 where: bonds (distance) C4'-P energy: -148.358 bonds (distance) P-C4' energy: -152.846 flat angles C4'-P-C4' energy: -176.009 flat angles P-C4'-P energy: -111.095 tors. eta vs tors. theta energy: -156.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2075.981314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.981314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.981314 (E_RNA) where: Base-Base interactions energy: -1348.251 where: short stacking energy: -604.388 Base-Backbone interact. energy: -0.660 local terms energy: -727.069675 where: bonds (distance) C4'-P energy: -125.556 bonds (distance) P-C4' energy: -179.307 flat angles C4'-P-C4' energy: -160.683 flat angles P-C4'-P energy: -121.919 tors. eta vs tors. theta energy: -139.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1734.556432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.556432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.556432 (E_RNA) where: Base-Base interactions energy: -1060.916 where: short stacking energy: -501.095 Base-Backbone interact. energy: -2.330 local terms energy: -671.310675 where: bonds (distance) C4'-P energy: -149.489 bonds (distance) P-C4' energy: -159.923 flat angles C4'-P-C4' energy: -158.716 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -106.363 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: 369 Temperature: 1.300000 Total energy: -1401.990497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.990497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.990497 (E_RNA) where: Base-Base interactions energy: -838.910 where: short stacking energy: -399.174 Base-Backbone interact. energy: -3.077 local terms energy: -560.002729 where: bonds (distance) C4'-P energy: -147.397 bonds (distance) P-C4' energy: -130.145 flat angles C4'-P-C4' energy: -145.120 flat angles P-C4'-P energy: -91.619 tors. eta vs tors. theta energy: -45.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1005.106358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.106358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.106358 (E_RNA) where: Base-Base interactions energy: -511.721 where: short stacking energy: -279.812 Base-Backbone interact. energy: 1.755 local terms energy: -495.140400 where: bonds (distance) C4'-P energy: -148.039 bonds (distance) P-C4' energy: -151.398 flat angles C4'-P-C4' energy: -133.848 flat angles P-C4'-P energy: -60.398 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3217.113604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.113604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.113604 (E_RNA) where: Base-Base interactions energy: -2217.051 where: short stacking energy: -956.306 Base-Backbone interact. energy: -5.206 local terms energy: -994.856303 where: bonds (distance) C4'-P energy: -166.518 bonds (distance) P-C4' energy: -197.229 flat angles C4'-P-C4' energy: -220.498 flat angles P-C4'-P energy: -139.924 tors. eta vs tors. theta energy: -270.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3067.775934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.775934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.775934 (E_RNA) where: Base-Base interactions energy: -2148.689 where: short stacking energy: -942.926 Base-Backbone interact. energy: -2.772 local terms energy: -916.315348 where: bonds (distance) C4'-P energy: -157.363 bonds (distance) P-C4' energy: -145.238 flat angles C4'-P-C4' energy: -195.394 flat angles P-C4'-P energy: -147.795 tors. eta vs tors. theta energy: -270.524 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: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -3015.253710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.253710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.253710 (E_RNA) where: Base-Base interactions energy: -2102.253 where: short stacking energy: -899.127 Base-Backbone interact. energy: -0.697 local terms energy: -912.304042 where: bonds (distance) C4'-P energy: -156.478 bonds (distance) P-C4' energy: -179.944 flat angles C4'-P-C4' energy: -186.021 flat angles P-C4'-P energy: -138.347 tors. eta vs tors. theta energy: -251.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2826.019006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.019006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.019006 (E_RNA) where: Base-Base interactions energy: -1949.950 where: short stacking energy: -838.170 Base-Backbone interact. energy: -3.802 local terms energy: -872.266555 where: bonds (distance) C4'-P energy: -156.130 bonds (distance) P-C4' energy: -173.274 flat angles C4'-P-C4' energy: -194.894 flat angles P-C4'-P energy: -114.019 tors. eta vs tors. theta energy: -233.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2600.581046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.581046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.581046 (E_RNA) where: Base-Base interactions energy: -1790.995 where: short stacking energy: -757.492 Base-Backbone interact. energy: 1.673 local terms energy: -811.259036 where: bonds (distance) C4'-P energy: -160.276 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -187.428 flat angles P-C4'-P energy: -116.353 tors. eta vs tors. theta energy: -198.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2442.921024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.921024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.921024 (E_RNA) where: Base-Base interactions energy: -1634.629 where: short stacking energy: -684.091 Base-Backbone interact. energy: -3.217 local terms energy: -805.075871 where: bonds (distance) C4'-P energy: -173.014 bonds (distance) P-C4' energy: -154.291 flat angles C4'-P-C4' energy: -168.500 flat angles P-C4'-P energy: -112.770 tors. eta vs tors. theta energy: -196.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2025.009534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.009534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.009534 (E_RNA) where: Base-Base interactions energy: -1346.070 where: short stacking energy: -600.462 Base-Backbone interact. energy: -3.524 local terms energy: -675.415844 where: bonds (distance) C4'-P energy: -156.038 bonds (distance) P-C4' energy: -143.789 flat angles C4'-P-C4' energy: -147.534 flat angles P-C4'-P energy: -100.523 tors. eta vs tors. theta energy: -127.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1699.880672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.880672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.880672 (E_RNA) where: Base-Base interactions energy: -1072.285 where: short stacking energy: -503.905 Base-Backbone interact. energy: 0.510 local terms energy: -628.105464 where: bonds (distance) C4'-P energy: -136.742 bonds (distance) P-C4' energy: -151.596 flat angles C4'-P-C4' energy: -149.654 flat angles P-C4'-P energy: -98.726 tors. eta vs tors. theta energy: -91.388 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: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1381.502718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.502718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.502718 (E_RNA) where: Base-Base interactions energy: -801.723 where: short stacking energy: -380.549 Base-Backbone interact. energy: 0.630 local terms energy: -580.409547 where: bonds (distance) C4'-P energy: -159.505 bonds (distance) P-C4' energy: -158.453 flat angles C4'-P-C4' energy: -139.642 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -37.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -932.092366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.092366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.092366 (E_RNA) where: Base-Base interactions energy: -481.750 where: short stacking energy: -259.606 Base-Backbone interact. energy: 3.718 local terms energy: -454.060358 where: bonds (distance) C4'-P energy: -149.402 bonds (distance) P-C4' energy: -139.764 flat angles C4'-P-C4' energy: -114.838 flat angles P-C4'-P energy: -78.541 tors. eta vs tors. theta energy: 28.485 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: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3208.829052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.829052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.829052 (E_RNA) where: Base-Base interactions energy: -2228.897 where: short stacking energy: -953.585 Base-Backbone interact. energy: -5.826 local terms energy: -974.105722 where: bonds (distance) C4'-P energy: -190.232 bonds (distance) P-C4' energy: -172.986 flat angles C4'-P-C4' energy: -200.662 flat angles P-C4'-P energy: -141.351 tors. eta vs tors. theta energy: -268.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3099.161168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.161168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.161168 (E_RNA) where: Base-Base interactions energy: -2133.773 where: short stacking energy: -938.069 Base-Backbone interact. energy: -0.170 local terms energy: -965.218087 where: bonds (distance) C4'-P energy: -164.572 bonds (distance) P-C4' energy: -181.957 flat angles C4'-P-C4' energy: -212.188 flat angles P-C4'-P energy: -134.277 tors. eta vs tors. theta energy: -272.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -3031.126188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.126188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.126188 (E_RNA) where: Base-Base interactions energy: -2091.903 where: short stacking energy: -922.862 Base-Backbone interact. energy: -2.280 local terms energy: -936.943831 where: bonds (distance) C4'-P energy: -177.743 bonds (distance) P-C4' energy: -189.768 flat angles C4'-P-C4' energy: -191.009 flat angles P-C4'-P energy: -125.285 tors. eta vs tors. theta energy: -253.139 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: 371 Temperature: 1.050000 Total energy: -2803.757120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.757120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.757120 (E_RNA) where: Base-Base interactions energy: -1886.509 where: short stacking energy: -840.036 Base-Backbone interact. energy: 4.880 local terms energy: -922.127649 where: bonds (distance) C4'-P energy: -168.118 bonds (distance) P-C4' energy: -174.951 flat angles C4'-P-C4' energy: -194.769 flat angles P-C4'-P energy: -131.720 tors. eta vs tors. theta energy: -252.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2566.612454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.612454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.612454 (E_RNA) where: Base-Base interactions energy: -1763.371 where: short stacking energy: -769.301 Base-Backbone interact. energy: -1.597 local terms energy: -801.645098 where: bonds (distance) C4'-P energy: -152.661 bonds (distance) P-C4' energy: -149.371 flat angles C4'-P-C4' energy: -192.072 flat angles P-C4'-P energy: -112.462 tors. eta vs tors. theta energy: -195.078 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: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2457.039386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.039386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.039386 (E_RNA) where: Base-Base interactions energy: -1653.803 where: short stacking energy: -686.692 Base-Backbone interact. energy: -3.248 local terms energy: -799.988479 where: bonds (distance) C4'-P energy: -151.063 bonds (distance) P-C4' energy: -164.574 flat angles C4'-P-C4' energy: -184.472 flat angles P-C4'-P energy: -113.069 tors. eta vs tors. theta energy: -186.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1964.481454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.481454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.481454 (E_RNA) where: Base-Base interactions energy: -1260.380 where: short stacking energy: -590.808 Base-Backbone interact. energy: -0.577 local terms energy: -703.525366 where: bonds (distance) C4'-P energy: -156.107 bonds (distance) P-C4' energy: -172.216 flat angles C4'-P-C4' energy: -163.758 flat angles P-C4'-P energy: -87.422 tors. eta vs tors. theta energy: -124.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1733.698109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.698109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.698109 (E_RNA) where: Base-Base interactions energy: -1070.030 where: short stacking energy: -523.775 Base-Backbone interact. energy: 0.123 local terms energy: -663.790778 where: bonds (distance) C4'-P energy: -139.733 bonds (distance) P-C4' energy: -174.054 flat angles C4'-P-C4' energy: -154.025 flat angles P-C4'-P energy: -99.736 tors. eta vs tors. theta energy: -96.242 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: 371 Temperature: 1.300000 Total energy: -1444.771940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.771940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.771940 (E_RNA) where: Base-Base interactions energy: -878.682 where: short stacking energy: -389.539 Base-Backbone interact. energy: -2.356 local terms energy: -563.734777 where: bonds (distance) C4'-P energy: -146.482 bonds (distance) P-C4' energy: -139.819 flat angles C4'-P-C4' energy: -147.437 flat angles P-C4'-P energy: -85.269 tors. eta vs tors. theta energy: -44.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -995.353921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.353921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.353921 (E_RNA) where: Base-Base interactions energy: -515.566 where: short stacking energy: -286.589 Base-Backbone interact. energy: 1.757 local terms energy: -481.544753 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -136.830 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -95.025 tors. eta vs tors. theta energy: 11.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3217.803948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.803948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.803948 (E_RNA) where: Base-Base interactions energy: -2213.807 where: short stacking energy: -929.897 Base-Backbone interact. energy: -6.547 local terms energy: -997.449742 where: bonds (distance) C4'-P energy: -186.044 bonds (distance) P-C4' energy: -191.346 flat angles C4'-P-C4' energy: -205.796 flat angles P-C4'-P energy: -148.946 tors. eta vs tors. theta energy: -265.318 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: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -3087.661855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.661855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.661855 (E_RNA) where: Base-Base interactions energy: -2146.968 where: short stacking energy: -931.142 Base-Backbone interact. energy: -6.289 local terms energy: -934.404961 where: bonds (distance) C4'-P energy: -168.736 bonds (distance) P-C4' energy: -172.160 flat angles C4'-P-C4' energy: -185.611 flat angles P-C4'-P energy: -130.350 tors. eta vs tors. theta energy: -277.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -3048.808796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.808796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.808796 (E_RNA) where: Base-Base interactions energy: -2103.902 where: short stacking energy: -926.289 Base-Backbone interact. energy: -4.156 local terms energy: -940.751275 where: bonds (distance) C4'-P energy: -184.898 bonds (distance) P-C4' energy: -179.963 flat angles C4'-P-C4' energy: -200.706 flat angles P-C4'-P energy: -123.562 tors. eta vs tors. theta energy: -251.622 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: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2835.077433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.077433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.077433 (E_RNA) where: Base-Base interactions energy: -1942.187 where: short stacking energy: -866.087 Base-Backbone interact. energy: -5.175 local terms energy: -887.715459 where: bonds (distance) C4'-P energy: -158.778 bonds (distance) P-C4' energy: -172.353 flat angles C4'-P-C4' energy: -197.943 flat angles P-C4'-P energy: -114.668 tors. eta vs tors. theta energy: -243.973 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: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2619.040461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.040461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.040461 (E_RNA) where: Base-Base interactions energy: -1771.351 where: short stacking energy: -814.698 Base-Backbone interact. energy: -3.344 local terms energy: -844.345752 where: bonds (distance) C4'-P energy: -151.123 bonds (distance) P-C4' energy: -170.607 flat angles C4'-P-C4' energy: -175.869 flat angles P-C4'-P energy: -123.022 tors. eta vs tors. theta energy: -223.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2408.673312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.673312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.673312 (E_RNA) where: Base-Base interactions energy: -1652.617 where: short stacking energy: -712.664 Base-Backbone interact. energy: -3.008 local terms energy: -753.047893 where: bonds (distance) C4'-P energy: -135.079 bonds (distance) P-C4' energy: -168.801 flat angles C4'-P-C4' energy: -171.829 flat angles P-C4'-P energy: -110.908 tors. eta vs tors. theta energy: -166.431 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: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2000.698146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.698146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.698146 (E_RNA) where: Base-Base interactions energy: -1350.285 where: short stacking energy: -629.876 Base-Backbone interact. energy: -2.635 local terms energy: -647.778391 where: bonds (distance) C4'-P energy: -135.892 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -141.969 flat angles P-C4'-P energy: -96.039 tors. eta vs tors. theta energy: -134.471 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: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1667.500167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.500167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.500167 (E_RNA) where: Base-Base interactions energy: -1060.860 where: short stacking energy: -496.719 Base-Backbone interact. energy: -2.823 local terms energy: -603.816718 where: bonds (distance) C4'-P energy: -130.731 bonds (distance) P-C4' energy: -139.662 flat angles C4'-P-C4' energy: -156.100 flat angles P-C4'-P energy: -98.659 tors. eta vs tors. theta energy: -78.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1547.669561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.669561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.669561 (E_RNA) where: Base-Base interactions energy: -975.298 where: short stacking energy: -451.693 Base-Backbone interact. energy: -2.106 local terms energy: -570.266195 where: bonds (distance) C4'-P energy: -141.888 bonds (distance) P-C4' energy: -157.937 flat angles C4'-P-C4' energy: -129.840 flat angles P-C4'-P energy: -87.216 tors. eta vs tors. theta energy: -53.386 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: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -996.844526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.844526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.844526 (E_RNA) where: Base-Base interactions energy: -533.701 where: short stacking energy: -309.890 Base-Backbone interact. energy: 6.796 local terms energy: -469.939716 where: bonds (distance) C4'-P energy: -148.297 bonds (distance) P-C4' energy: -151.715 flat angles C4'-P-C4' energy: -120.146 flat angles P-C4'-P energy: -52.539 tors. eta vs tors. theta energy: 2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3215.956811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.956811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.956811 (E_RNA) where: Base-Base interactions energy: -2220.203 where: short stacking energy: -948.798 Base-Backbone interact. energy: -2.229 local terms energy: -993.525035 where: bonds (distance) C4'-P energy: -185.253 bonds (distance) P-C4' energy: -175.729 flat angles C4'-P-C4' energy: -214.623 flat angles P-C4'-P energy: -147.860 tors. eta vs tors. theta energy: -270.059 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: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3100.570230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.570230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.570230 (E_RNA) where: Base-Base interactions energy: -2140.748 where: short stacking energy: -953.868 Base-Backbone interact. energy: -2.654 local terms energy: -957.168988 where: bonds (distance) C4'-P energy: -152.981 bonds (distance) P-C4' energy: -187.469 flat angles C4'-P-C4' energy: -202.073 flat angles P-C4'-P energy: -132.827 tors. eta vs tors. theta energy: -281.819 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: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -3045.929653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.929653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.929653 (E_RNA) where: Base-Base interactions energy: -2133.681 where: short stacking energy: -910.879 Base-Backbone interact. energy: -3.108 local terms energy: -909.141219 where: bonds (distance) C4'-P energy: -171.576 bonds (distance) P-C4' energy: -167.569 flat angles C4'-P-C4' energy: -175.161 flat angles P-C4'-P energy: -138.657 tors. eta vs tors. theta energy: -256.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2843.027211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.027211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.027211 (E_RNA) where: Base-Base interactions energy: -1967.820 where: short stacking energy: -875.772 Base-Backbone interact. energy: -5.388 local terms energy: -869.818769 where: bonds (distance) C4'-P energy: -163.027 bonds (distance) P-C4' energy: -153.637 flat angles C4'-P-C4' energy: -199.795 flat angles P-C4'-P energy: -112.881 tors. eta vs tors. theta energy: -240.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2638.502729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.502729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.502729 (E_RNA) where: Base-Base interactions energy: -1784.549 where: short stacking energy: -763.985 Base-Backbone interact. energy: -5.151 local terms energy: -848.803230 where: bonds (distance) C4'-P energy: -159.066 bonds (distance) P-C4' energy: -181.268 flat angles C4'-P-C4' energy: -192.805 flat angles P-C4'-P energy: -114.863 tors. eta vs tors. theta energy: -200.800 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: 6, replica: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2482.701052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.701052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.701052 (E_RNA) where: Base-Base interactions energy: -1715.928 where: short stacking energy: -706.650 Base-Backbone interact. energy: -0.582 local terms energy: -766.190767 where: bonds (distance) C4'-P energy: -168.864 bonds (distance) P-C4' energy: -138.660 flat angles C4'-P-C4' energy: -173.987 flat angles P-C4'-P energy: -103.576 tors. eta vs tors. theta energy: -181.105 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: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2112.729342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.729342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.729342 (E_RNA) where: Base-Base interactions energy: -1400.033 where: short stacking energy: -634.996 Base-Backbone interact. energy: 3.044 local terms energy: -715.740174 where: bonds (distance) C4'-P energy: -141.183 bonds (distance) P-C4' energy: -176.085 flat angles C4'-P-C4' energy: -159.588 flat angles P-C4'-P energy: -80.388 tors. eta vs tors. theta energy: -158.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1670.807758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.807758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.807758 (E_RNA) where: Base-Base interactions energy: -1048.026 where: short stacking energy: -474.289 Base-Backbone interact. energy: 1.017 local terms energy: -623.798416 where: bonds (distance) C4'-P energy: -141.185 bonds (distance) P-C4' energy: -153.413 flat angles C4'-P-C4' energy: -148.165 flat angles P-C4'-P energy: -98.618 tors. eta vs tors. theta energy: -82.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1528.059758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.059758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.059758 (E_RNA) where: Base-Base interactions energy: -966.533 where: short stacking energy: -435.192 Base-Backbone interact. energy: 1.038 local terms energy: -562.564466 where: bonds (distance) C4'-P energy: -134.607 bonds (distance) P-C4' energy: -153.609 flat angles C4'-P-C4' energy: -124.404 flat angles P-C4'-P energy: -87.141 tors. eta vs tors. theta energy: -62.803 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: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1000.881117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.881117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.881117 (E_RNA) where: Base-Base interactions energy: -547.646 where: short stacking energy: -296.009 Base-Backbone interact. energy: -1.631 local terms energy: -451.603985 where: bonds (distance) C4'-P energy: -146.042 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -122.924 flat angles P-C4'-P energy: -72.039 tors. eta vs tors. theta energy: 40.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3217.112294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.112294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.112294 (E_RNA) where: Base-Base interactions energy: -2223.804 where: short stacking energy: -945.292 Base-Backbone interact. energy: -5.996 local terms energy: -987.312104 where: bonds (distance) C4'-P energy: -182.601 bonds (distance) P-C4' energy: -191.489 flat angles C4'-P-C4' energy: -206.209 flat angles P-C4'-P energy: -140.247 tors. eta vs tors. theta energy: -266.766 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: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -3104.434868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.434868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.434868 (E_RNA) where: Base-Base interactions energy: -2152.614 where: short stacking energy: -926.713 Base-Backbone interact. energy: -0.661 local terms energy: -951.159691 where: bonds (distance) C4'-P energy: -160.343 bonds (distance) P-C4' energy: -175.056 flat angles C4'-P-C4' energy: -200.135 flat angles P-C4'-P energy: -149.256 tors. eta vs tors. theta energy: -266.369 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: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -3042.351576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.351576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.351576 (E_RNA) where: Base-Base interactions energy: -2116.701 where: short stacking energy: -914.160 Base-Backbone interact. energy: -2.132 local terms energy: -923.518570 where: bonds (distance) C4'-P energy: -155.797 bonds (distance) P-C4' energy: -176.267 flat angles C4'-P-C4' energy: -197.706 flat angles P-C4'-P energy: -128.014 tors. eta vs tors. theta energy: -265.736 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: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2789.428015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.428015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.428015 (E_RNA) where: Base-Base interactions energy: -1911.676 where: short stacking energy: -845.747 Base-Backbone interact. energy: -3.932 local terms energy: -873.819835 where: bonds (distance) C4'-P energy: -156.281 bonds (distance) P-C4' energy: -181.177 flat angles C4'-P-C4' energy: -191.655 flat angles P-C4'-P energy: -105.513 tors. eta vs tors. theta energy: -239.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2637.176274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.176274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.176274 (E_RNA) where: Base-Base interactions energy: -1786.660 where: short stacking energy: -773.491 Base-Backbone interact. energy: -6.493 local terms energy: -844.023430 where: bonds (distance) C4'-P energy: -172.841 bonds (distance) P-C4' energy: -171.510 flat angles C4'-P-C4' energy: -178.692 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -216.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2390.256237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.256237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.256237 (E_RNA) where: Base-Base interactions energy: -1574.044 where: short stacking energy: -693.597 Base-Backbone interact. energy: -2.692 local terms energy: -813.519812 where: bonds (distance) C4'-P energy: -162.540 bonds (distance) P-C4' energy: -176.652 flat angles C4'-P-C4' energy: -167.288 flat angles P-C4'-P energy: -121.746 tors. eta vs tors. theta energy: -185.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2150.799533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.799533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.799533 (E_RNA) where: Base-Base interactions energy: -1420.382 where: short stacking energy: -644.082 Base-Backbone interact. energy: -0.378 local terms energy: -730.040254 where: bonds (distance) C4'-P energy: -166.026 bonds (distance) P-C4' energy: -158.129 flat angles C4'-P-C4' energy: -151.463 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -158.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1646.984403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.984403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.984403 (E_RNA) where: Base-Base interactions energy: -1007.987 where: short stacking energy: -464.137 Base-Backbone interact. energy: -1.065 local terms energy: -637.932885 where: bonds (distance) C4'-P energy: -151.729 bonds (distance) P-C4' energy: -160.204 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -107.235 tors. eta vs tors. theta energy: -71.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1541.543180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.543180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.543180 (E_RNA) where: Base-Base interactions energy: -952.115 where: short stacking energy: -467.658 Base-Backbone interact. energy: -1.765 local terms energy: -587.662945 where: bonds (distance) C4'-P energy: -143.475 bonds (distance) P-C4' energy: -153.563 flat angles C4'-P-C4' energy: -134.303 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -76.214 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: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -974.269870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.269870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.269870 (E_RNA) where: Base-Base interactions energy: -490.049 where: short stacking energy: -272.926 Base-Backbone interact. energy: 18.636 local terms energy: -502.856894 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -138.772 flat angles C4'-P-C4' energy: -133.055 flat angles P-C4'-P energy: -83.991 tors. eta vs tors. theta energy: 8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3256.203658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.203658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.203658 (E_RNA) where: Base-Base interactions energy: -2253.855 where: short stacking energy: -947.682 Base-Backbone interact. energy: -6.130 local terms energy: -996.218972 where: bonds (distance) C4'-P energy: -176.434 bonds (distance) P-C4' energy: -198.112 flat angles C4'-P-C4' energy: -219.225 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -283.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3124.226362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.226362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.226362 (E_RNA) where: Base-Base interactions energy: -2162.558 where: short stacking energy: -956.035 Base-Backbone interact. energy: -7.903 local terms energy: -953.765149 where: bonds (distance) C4'-P energy: -178.427 bonds (distance) P-C4' energy: -170.187 flat angles C4'-P-C4' energy: -195.343 flat angles P-C4'-P energy: -137.128 tors. eta vs tors. theta energy: -272.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -3049.282582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.282582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.282582 (E_RNA) where: Base-Base interactions energy: -2102.715 where: short stacking energy: -908.873 Base-Backbone interact. energy: 1.000 local terms energy: -947.567880 where: bonds (distance) C4'-P energy: -165.539 bonds (distance) P-C4' energy: -174.796 flat angles C4'-P-C4' energy: -219.573 flat angles P-C4'-P energy: -125.099 tors. eta vs tors. theta energy: -262.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2808.070121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.070121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.070121 (E_RNA) where: Base-Base interactions energy: -1939.976 where: short stacking energy: -859.971 Base-Backbone interact. energy: -2.926 local terms energy: -865.168493 where: bonds (distance) C4'-P energy: -151.905 bonds (distance) P-C4' energy: -177.071 flat angles C4'-P-C4' energy: -193.741 flat angles P-C4'-P energy: -129.111 tors. eta vs tors. theta energy: -213.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2595.056637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.056637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.056637 (E_RNA) where: Base-Base interactions energy: -1771.116 where: short stacking energy: -760.806 Base-Backbone interact. energy: -3.904 local terms energy: -820.037253 where: bonds (distance) C4'-P energy: -166.517 bonds (distance) P-C4' energy: -173.345 flat angles C4'-P-C4' energy: -156.657 flat angles P-C4'-P energy: -132.612 tors. eta vs tors. theta energy: -190.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2426.890390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.890390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.890390 (E_RNA) where: Base-Base interactions energy: -1663.085 where: short stacking energy: -748.248 Base-Backbone interact. energy: -0.959 local terms energy: -762.846362 where: bonds (distance) C4'-P energy: -126.477 bonds (distance) P-C4' energy: -161.542 flat angles C4'-P-C4' energy: -180.908 flat angles P-C4'-P energy: -119.601 tors. eta vs tors. theta energy: -174.318 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: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2100.933563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.933563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.933563 (E_RNA) where: Base-Base interactions energy: -1387.779 where: short stacking energy: -615.075 Base-Backbone interact. energy: 11.736 local terms energy: -724.890447 where: bonds (distance) C4'-P energy: -121.786 bonds (distance) P-C4' energy: -185.064 flat angles C4'-P-C4' energy: -151.651 flat angles P-C4'-P energy: -118.349 tors. eta vs tors. theta energy: -148.040 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: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1634.755846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.755846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.755846 (E_RNA) where: Base-Base interactions energy: -1002.346 where: short stacking energy: -473.336 Base-Backbone interact. energy: -1.834 local terms energy: -630.575840 where: bonds (distance) C4'-P energy: -156.709 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -169.749 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -69.725 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: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1574.262432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.262432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.262432 (E_RNA) where: Base-Base interactions energy: -1002.237 where: short stacking energy: -472.528 Base-Backbone interact. energy: 0.444 local terms energy: -572.470075 where: bonds (distance) C4'-P energy: -131.537 bonds (distance) P-C4' energy: -120.607 flat angles C4'-P-C4' energy: -166.633 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -68.033 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: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -975.063814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.063814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.063814 (E_RNA) where: Base-Base interactions energy: -493.198 where: short stacking energy: -263.207 Base-Backbone interact. energy: 3.144 local terms energy: -485.010230 where: bonds (distance) C4'-P energy: -151.512 bonds (distance) P-C4' energy: -162.892 flat angles C4'-P-C4' energy: -135.220 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: 16.906 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: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3233.930194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.930194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.930194 (E_RNA) where: Base-Base interactions energy: -2241.610 where: short stacking energy: -958.908 Base-Backbone interact. energy: -5.610 local terms energy: -986.710374 where: bonds (distance) C4'-P energy: -181.206 bonds (distance) P-C4' energy: -186.364 flat angles C4'-P-C4' energy: -204.455 flat angles P-C4'-P energy: -134.191 tors. eta vs tors. theta energy: -280.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3159.454531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.454531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.454531 (E_RNA) where: Base-Base interactions energy: -2176.150 where: short stacking energy: -988.161 Base-Backbone interact. energy: -5.846 local terms energy: -977.457784 where: bonds (distance) C4'-P energy: -172.525 bonds (distance) P-C4' energy: -184.172 flat angles C4'-P-C4' energy: -207.149 flat angles P-C4'-P energy: -129.048 tors. eta vs tors. theta energy: -284.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -3041.753109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.753109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.753109 (E_RNA) where: Base-Base interactions energy: -2108.211 where: short stacking energy: -905.457 Base-Backbone interact. energy: -2.330 local terms energy: -931.212198 where: bonds (distance) C4'-P energy: -181.914 bonds (distance) P-C4' energy: -165.410 flat angles C4'-P-C4' energy: -206.276 flat angles P-C4'-P energy: -111.331 tors. eta vs tors. theta energy: -266.281 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: 376 Temperature: 1.050000 Total energy: -2839.899773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.899773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.899773 (E_RNA) where: Base-Base interactions energy: -1951.555 where: short stacking energy: -846.062 Base-Backbone interact. energy: -1.637 local terms energy: -886.707405 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -159.476 flat angles C4'-P-C4' energy: -205.874 flat angles P-C4'-P energy: -122.992 tors. eta vs tors. theta energy: -243.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2641.474425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.474425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.474425 (E_RNA) where: Base-Base interactions energy: -1775.307 where: short stacking energy: -775.898 Base-Backbone interact. energy: -1.815 local terms energy: -864.352319 where: bonds (distance) C4'-P energy: -159.100 bonds (distance) P-C4' energy: -172.716 flat angles C4'-P-C4' energy: -194.378 flat angles P-C4'-P energy: -115.960 tors. eta vs tors. theta energy: -222.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2402.286087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.286087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.286087 (E_RNA) where: Base-Base interactions energy: -1611.148 where: short stacking energy: -699.449 Base-Backbone interact. energy: -3.612 local terms energy: -787.525796 where: bonds (distance) C4'-P energy: -164.988 bonds (distance) P-C4' energy: -159.939 flat angles C4'-P-C4' energy: -172.435 flat angles P-C4'-P energy: -110.490 tors. eta vs tors. theta energy: -179.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2112.863733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.863733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.863733 (E_RNA) where: Base-Base interactions energy: -1407.512 where: short stacking energy: -602.930 Base-Backbone interact. energy: -3.499 local terms energy: -701.852464 where: bonds (distance) C4'-P energy: -143.022 bonds (distance) P-C4' energy: -161.318 flat angles C4'-P-C4' energy: -144.850 flat angles P-C4'-P energy: -99.068 tors. eta vs tors. theta energy: -153.594 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: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1669.133984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.133984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.133984 (E_RNA) where: Base-Base interactions energy: -1039.459 where: short stacking energy: -467.883 Base-Backbone interact. energy: -3.880 local terms energy: -625.795394 where: bonds (distance) C4'-P energy: -129.712 bonds (distance) P-C4' energy: -168.247 flat angles C4'-P-C4' energy: -163.119 flat angles P-C4'-P energy: -95.351 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: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1553.202244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.202244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.202244 (E_RNA) where: Base-Base interactions energy: -953.337 where: short stacking energy: -454.818 Base-Backbone interact. energy: -0.917 local terms energy: -598.948111 where: bonds (distance) C4'-P energy: -143.928 bonds (distance) P-C4' energy: -153.423 flat angles C4'-P-C4' energy: -139.231 flat angles P-C4'-P energy: -95.049 tors. eta vs tors. theta energy: -67.317 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: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -981.965359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.965359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.965359 (E_RNA) where: Base-Base interactions energy: -487.957 where: short stacking energy: -281.252 Base-Backbone interact. energy: 5.318 local terms energy: -499.326144 where: bonds (distance) C4'-P energy: -128.580 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -148.869 flat angles P-C4'-P energy: -69.057 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3247.068257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.068257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.068257 (E_RNA) where: Base-Base interactions energy: -2252.473 where: short stacking energy: -971.816 Base-Backbone interact. energy: -5.355 local terms energy: -989.240052 where: bonds (distance) C4'-P energy: -171.536 bonds (distance) P-C4' energy: -188.875 flat angles C4'-P-C4' energy: -201.227 flat angles P-C4'-P energy: -138.954 tors. eta vs tors. theta energy: -288.648 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: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3130.450807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.450807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.450807 (E_RNA) where: Base-Base interactions energy: -2147.166 where: short stacking energy: -934.805 Base-Backbone interact. energy: -3.459 local terms energy: -979.825783 where: bonds (distance) C4'-P energy: -179.015 bonds (distance) P-C4' energy: -182.607 flat angles C4'-P-C4' energy: -205.868 flat angles P-C4'-P energy: -134.160 tors. eta vs tors. theta energy: -278.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -3057.628543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.628543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.628543 (E_RNA) where: Base-Base interactions energy: -2121.267 where: short stacking energy: -922.692 Base-Backbone interact. energy: -2.318 local terms energy: -934.043308 where: bonds (distance) C4'-P energy: -161.580 bonds (distance) P-C4' energy: -179.088 flat angles C4'-P-C4' energy: -196.431 flat angles P-C4'-P energy: -131.545 tors. eta vs tors. theta energy: -265.398 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: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2848.220709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.220709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.220709 (E_RNA) where: Base-Base interactions energy: -1973.446 where: short stacking energy: -811.201 Base-Backbone interact. energy: 6.410 local terms energy: -881.184727 where: bonds (distance) C4'-P energy: -154.815 bonds (distance) P-C4' energy: -179.228 flat angles C4'-P-C4' energy: -184.214 flat angles P-C4'-P energy: -127.121 tors. eta vs tors. theta energy: -235.805 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: 377 Temperature: 1.100000 Total energy: -2644.409080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.409080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.409080 (E_RNA) where: Base-Base interactions energy: -1806.767 where: short stacking energy: -777.265 Base-Backbone interact. energy: -5.335 local terms energy: -832.307449 where: bonds (distance) C4'-P energy: -166.089 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -196.251 flat angles P-C4'-P energy: -117.706 tors. eta vs tors. theta energy: -200.441 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: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2429.979156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.979156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.979156 (E_RNA) where: Base-Base interactions energy: -1650.296 where: short stacking energy: -728.823 Base-Backbone interact. energy: -3.061 local terms energy: -776.621477 where: bonds (distance) C4'-P energy: -157.840 bonds (distance) P-C4' energy: -158.441 flat angles C4'-P-C4' energy: -179.282 flat angles P-C4'-P energy: -101.308 tors. eta vs tors. theta energy: -179.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2112.545652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.545652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.545652 (E_RNA) where: Base-Base interactions energy: -1379.629 where: short stacking energy: -632.448 Base-Backbone interact. energy: -3.129 local terms energy: -729.787736 where: bonds (distance) C4'-P energy: -161.436 bonds (distance) P-C4' energy: -163.703 flat angles C4'-P-C4' energy: -164.657 flat angles P-C4'-P energy: -104.004 tors. eta vs tors. theta energy: -135.987 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: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1770.986200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.986200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.986200 (E_RNA) where: Base-Base interactions energy: -1123.902 where: short stacking energy: -499.335 Base-Backbone interact. energy: -4.266 local terms energy: -642.818567 where: bonds (distance) C4'-P energy: -142.976 bonds (distance) P-C4' energy: -143.128 flat angles C4'-P-C4' energy: -158.795 flat angles P-C4'-P energy: -100.835 tors. eta vs tors. theta energy: -97.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1569.495012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.495012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.495012 (E_RNA) where: Base-Base interactions energy: -971.448 where: short stacking energy: -475.979 Base-Backbone interact. energy: 1.095 local terms energy: -599.142191 where: bonds (distance) C4'-P energy: -152.173 bonds (distance) P-C4' energy: -143.107 flat angles C4'-P-C4' energy: -150.977 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -69.382 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: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1046.050825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.050825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.050825 (E_RNA) where: Base-Base interactions energy: -572.880 where: short stacking energy: -272.298 Base-Backbone interact. energy: 5.057 local terms energy: -478.227572 where: bonds (distance) C4'-P energy: -141.791 bonds (distance) P-C4' energy: -145.858 flat angles C4'-P-C4' energy: -119.563 flat angles P-C4'-P energy: -83.998 tors. eta vs tors. theta energy: 12.982 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: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3250.631660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.631660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.631660 (E_RNA) where: Base-Base interactions energy: -2268.943 where: short stacking energy: -977.464 Base-Backbone interact. energy: -7.838 local terms energy: -973.850058 where: bonds (distance) C4'-P energy: -171.054 bonds (distance) P-C4' energy: -175.333 flat angles C4'-P-C4' energy: -218.278 flat angles P-C4'-P energy: -133.447 tors. eta vs tors. theta energy: -275.738 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: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3150.294809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.294809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.294809 (E_RNA) where: Base-Base interactions energy: -2179.058 where: short stacking energy: -942.307 Base-Backbone interact. energy: -4.497 local terms energy: -966.740364 where: bonds (distance) C4'-P energy: -177.092 bonds (distance) P-C4' energy: -177.220 flat angles C4'-P-C4' energy: -209.171 flat angles P-C4'-P energy: -125.192 tors. eta vs tors. theta energy: -278.066 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: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -3053.731269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.731269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.731269 (E_RNA) where: Base-Base interactions energy: -2116.355 where: short stacking energy: -907.503 Base-Backbone interact. energy: 0.506 local terms energy: -937.881732 where: bonds (distance) C4'-P energy: -161.755 bonds (distance) P-C4' energy: -181.282 flat angles C4'-P-C4' energy: -208.218 flat angles P-C4'-P energy: -129.583 tors. eta vs tors. theta energy: -257.044 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: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2851.818419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.818419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.818419 (E_RNA) where: Base-Base interactions energy: -1952.631 where: short stacking energy: -870.755 Base-Backbone interact. energy: -0.532 local terms energy: -898.656034 where: bonds (distance) C4'-P energy: -165.252 bonds (distance) P-C4' energy: -160.337 flat angles C4'-P-C4' energy: -191.868 flat angles P-C4'-P energy: -137.440 tors. eta vs tors. theta energy: -243.758 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: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2667.935824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.935824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.935824 (E_RNA) where: Base-Base interactions energy: -1821.489 where: short stacking energy: -784.685 Base-Backbone interact. energy: -3.455 local terms energy: -842.991949 where: bonds (distance) C4'-P energy: -162.338 bonds (distance) P-C4' energy: -165.957 flat angles C4'-P-C4' energy: -178.835 flat angles P-C4'-P energy: -126.799 tors. eta vs tors. theta energy: -209.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2429.020834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.020834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.020834 (E_RNA) where: Base-Base interactions energy: -1627.953 where: short stacking energy: -722.063 Base-Backbone interact. energy: 0.688 local terms energy: -801.755676 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -163.550 flat angles C4'-P-C4' energy: -181.464 flat angles P-C4'-P energy: -110.774 tors. eta vs tors. theta energy: -200.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2113.457502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.457502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.457502 (E_RNA) where: Base-Base interactions energy: -1416.576 where: short stacking energy: -659.084 Base-Backbone interact. energy: -1.531 local terms energy: -695.350444 where: bonds (distance) C4'-P energy: -145.499 bonds (distance) P-C4' energy: -154.544 flat angles C4'-P-C4' energy: -155.792 flat angles P-C4'-P energy: -81.318 tors. eta vs tors. theta energy: -158.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1776.391260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.391260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.391260 (E_RNA) where: Base-Base interactions energy: -1191.166 where: short stacking energy: -542.380 Base-Backbone interact. energy: -0.520 local terms energy: -584.705689 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -155.999 flat angles C4'-P-C4' energy: -124.576 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -104.217 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: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1560.475231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.475231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.475231 (E_RNA) where: Base-Base interactions energy: -957.783 where: short stacking energy: -457.536 Base-Backbone interact. energy: -0.161 local terms energy: -602.531037 where: bonds (distance) C4'-P energy: -163.251 bonds (distance) P-C4' energy: -167.009 flat angles C4'-P-C4' energy: -130.844 flat angles P-C4'-P energy: -64.938 tors. eta vs tors. theta energy: -76.489 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: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1003.498688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.498688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.498688 (E_RNA) where: Base-Base interactions energy: -519.071 where: short stacking energy: -274.357 Base-Backbone interact. energy: -0.012 local terms energy: -484.415831 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -118.567 flat angles P-C4'-P energy: -84.118 tors. eta vs tors. theta energy: 8.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3227.950957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.950957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.950957 (E_RNA) where: Base-Base interactions energy: -2259.072 where: short stacking energy: -968.860 Base-Backbone interact. energy: -5.899 local terms energy: -962.979539 where: bonds (distance) C4'-P energy: -180.620 bonds (distance) P-C4' energy: -181.867 flat angles C4'-P-C4' energy: -195.877 flat angles P-C4'-P energy: -131.548 tors. eta vs tors. theta energy: -273.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -3102.954979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.954979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.954979 (E_RNA) where: Base-Base interactions energy: -2151.235 where: short stacking energy: -936.340 Base-Backbone interact. energy: -3.429 local terms energy: -948.290926 where: bonds (distance) C4'-P energy: -179.528 bonds (distance) P-C4' energy: -173.932 flat angles C4'-P-C4' energy: -197.076 flat angles P-C4'-P energy: -130.736 tors. eta vs tors. theta energy: -267.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -3067.865186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.865186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.865186 (E_RNA) where: Base-Base interactions energy: -2133.255 where: short stacking energy: -910.385 Base-Backbone interact. energy: -2.875 local terms energy: -931.735365 where: bonds (distance) C4'-P energy: -178.909 bonds (distance) P-C4' energy: -170.443 flat angles C4'-P-C4' energy: -186.366 flat angles P-C4'-P energy: -127.582 tors. eta vs tors. theta energy: -268.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2817.004406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.004406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.004406 (E_RNA) where: Base-Base interactions energy: -1919.513 where: short stacking energy: -839.648 Base-Backbone interact. energy: -2.637 local terms energy: -894.854408 where: bonds (distance) C4'-P energy: -170.679 bonds (distance) P-C4' energy: -169.194 flat angles C4'-P-C4' energy: -176.055 flat angles P-C4'-P energy: -128.217 tors. eta vs tors. theta energy: -250.708 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: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2642.874201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.874201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.874201 (E_RNA) where: Base-Base interactions energy: -1795.070 where: short stacking energy: -781.446 Base-Backbone interact. energy: -1.868 local terms energy: -845.936522 where: bonds (distance) C4'-P energy: -167.483 bonds (distance) P-C4' energy: -167.779 flat angles C4'-P-C4' energy: -167.714 flat angles P-C4'-P energy: -131.597 tors. eta vs tors. theta energy: -211.363 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: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2389.631778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.631778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.631778 (E_RNA) where: Base-Base interactions energy: -1638.427 where: short stacking energy: -708.379 Base-Backbone interact. energy: 4.960 local terms energy: -756.165103 where: bonds (distance) C4'-P energy: -152.920 bonds (distance) P-C4' energy: -143.019 flat angles C4'-P-C4' energy: -172.719 flat angles P-C4'-P energy: -113.574 tors. eta vs tors. theta energy: -173.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2068.591655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.591655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.591655 (E_RNA) where: Base-Base interactions energy: -1396.788 where: short stacking energy: -611.743 Base-Backbone interact. energy: 2.896 local terms energy: -674.699464 where: bonds (distance) C4'-P energy: -145.574 bonds (distance) P-C4' energy: -158.255 flat angles C4'-P-C4' energy: -141.356 flat angles P-C4'-P energy: -99.361 tors. eta vs tors. theta energy: -130.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1701.753906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.753906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.753906 (E_RNA) where: Base-Base interactions energy: -1081.860 where: short stacking energy: -508.037 Base-Backbone interact. energy: 0.826 local terms energy: -620.718975 where: bonds (distance) C4'-P energy: -141.061 bonds (distance) P-C4' energy: -155.047 flat angles C4'-P-C4' energy: -146.314 flat angles P-C4'-P energy: -86.823 tors. eta vs tors. theta energy: -91.474 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: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1615.533448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.533448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.533448 (E_RNA) where: Base-Base interactions energy: -996.099 where: short stacking energy: -487.146 Base-Backbone interact. energy: 2.466 local terms energy: -621.900577 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -140.706 flat angles C4'-P-C4' energy: -150.050 flat angles P-C4'-P energy: -103.185 tors. eta vs tors. theta energy: -96.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1126.384744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.384744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.384744 (E_RNA) where: Base-Base interactions energy: -634.903 where: short stacking energy: -337.082 Base-Backbone interact. energy: 6.833 local terms energy: -498.315379 where: bonds (distance) C4'-P energy: -135.174 bonds (distance) P-C4' energy: -143.041 flat angles C4'-P-C4' energy: -131.480 flat angles P-C4'-P energy: -69.747 tors. eta vs tors. theta energy: -18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3245.734884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.734884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.734884 (E_RNA) where: Base-Base interactions energy: -2237.698 where: short stacking energy: -953.814 Base-Backbone interact. energy: -7.554 local terms energy: -1000.482222 where: bonds (distance) C4'-P energy: -189.575 bonds (distance) P-C4' energy: -179.925 flat angles C4'-P-C4' energy: -219.581 flat angles P-C4'-P energy: -132.760 tors. eta vs tors. theta energy: -278.642 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: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3125.026786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.026786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.026786 (E_RNA) where: Base-Base interactions energy: -2147.118 where: short stacking energy: -924.112 Base-Backbone interact. energy: -0.898 local terms energy: -977.010931 where: bonds (distance) C4'-P energy: -177.206 bonds (distance) P-C4' energy: -193.354 flat angles C4'-P-C4' energy: -204.299 flat angles P-C4'-P energy: -135.819 tors. eta vs tors. theta energy: -266.333 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: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -3053.154952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.154952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.154952 (E_RNA) where: Base-Base interactions energy: -2119.723 where: short stacking energy: -926.026 Base-Backbone interact. energy: -4.278 local terms energy: -929.153896 where: bonds (distance) C4'-P energy: -145.653 bonds (distance) P-C4' energy: -188.859 flat angles C4'-P-C4' energy: -203.312 flat angles P-C4'-P energy: -126.840 tors. eta vs tors. theta energy: -264.490 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: 380 Temperature: 1.050000 Total energy: -2842.578081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.578081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.578081 (E_RNA) where: Base-Base interactions energy: -1978.860 where: short stacking energy: -860.525 Base-Backbone interact. energy: -3.170 local terms energy: -860.548509 where: bonds (distance) C4'-P energy: -156.870 bonds (distance) P-C4' energy: -173.889 flat angles C4'-P-C4' energy: -175.956 flat angles P-C4'-P energy: -128.399 tors. eta vs tors. theta energy: -225.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2615.010030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.010030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.010030 (E_RNA) where: Base-Base interactions energy: -1808.729 where: short stacking energy: -784.072 Base-Backbone interact. energy: 0.927 local terms energy: -807.208208 where: bonds (distance) C4'-P energy: -162.067 bonds (distance) P-C4' energy: -158.498 flat angles C4'-P-C4' energy: -202.733 flat angles P-C4'-P energy: -91.548 tors. eta vs tors. theta energy: -192.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2483.283406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.283406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.283406 (E_RNA) where: Base-Base interactions energy: -1681.885 where: short stacking energy: -710.520 Base-Backbone interact. energy: -4.086 local terms energy: -797.312806 where: bonds (distance) C4'-P energy: -151.401 bonds (distance) P-C4' energy: -177.278 flat angles C4'-P-C4' energy: -175.620 flat angles P-C4'-P energy: -106.729 tors. eta vs tors. theta energy: -186.285 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: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2064.450040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.450040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.450040 (E_RNA) where: Base-Base interactions energy: -1356.645 where: short stacking energy: -608.210 Base-Backbone interact. energy: 6.179 local terms energy: -713.984157 where: bonds (distance) C4'-P energy: -147.518 bonds (distance) P-C4' energy: -162.813 flat angles C4'-P-C4' energy: -157.011 flat angles P-C4'-P energy: -113.940 tors. eta vs tors. theta energy: -132.700 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: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1742.483374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.483374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.483374 (E_RNA) where: Base-Base interactions energy: -1073.947 where: short stacking energy: -500.061 Base-Backbone interact. energy: 3.495 local terms energy: -672.031664 where: bonds (distance) C4'-P energy: -152.728 bonds (distance) P-C4' energy: -173.129 flat angles C4'-P-C4' energy: -166.899 flat angles P-C4'-P energy: -100.637 tors. eta vs tors. theta energy: -78.638 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: 380 Temperature: 1.300000 Total energy: -1613.375449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.375449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.375449 (E_RNA) where: Base-Base interactions energy: -996.303 where: short stacking energy: -489.153 Base-Backbone interact. energy: 2.313 local terms energy: -619.384573 where: bonds (distance) C4'-P energy: -132.276 bonds (distance) P-C4' energy: -140.022 flat angles C4'-P-C4' energy: -150.279 flat angles P-C4'-P energy: -101.014 tors. eta vs tors. theta energy: -95.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1111.407338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.407338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.407338 (E_RNA) where: Base-Base interactions energy: -621.655 where: short stacking energy: -342.654 Base-Backbone interact. energy: 1.388 local terms energy: -491.140300 where: bonds (distance) C4'-P energy: -118.995 bonds (distance) P-C4' energy: -149.457 flat angles C4'-P-C4' energy: -144.815 flat angles P-C4'-P energy: -70.636 tors. eta vs tors. theta energy: -7.238 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: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3245.455291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.455291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.455291 (E_RNA) where: Base-Base interactions energy: -2278.960 where: short stacking energy: -968.307 Base-Backbone interact. energy: -4.922 local terms energy: -961.573818 where: bonds (distance) C4'-P energy: -180.806 bonds (distance) P-C4' energy: -171.675 flat angles C4'-P-C4' energy: -193.768 flat angles P-C4'-P energy: -137.430 tors. eta vs tors. theta energy: -277.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3100.902161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.902161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.902161 (E_RNA) where: Base-Base interactions energy: -2131.846 where: short stacking energy: -931.118 Base-Backbone interact. energy: -4.274 local terms energy: -964.782637 where: bonds (distance) C4'-P energy: -169.690 bonds (distance) P-C4' energy: -195.704 flat angles C4'-P-C4' energy: -203.835 flat angles P-C4'-P energy: -116.152 tors. eta vs tors. theta energy: -279.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -3001.871913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.871913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.871913 (E_RNA) where: Base-Base interactions energy: -2093.541 where: short stacking energy: -891.792 Base-Backbone interact. energy: -7.001 local terms energy: -901.329922 where: bonds (distance) C4'-P energy: -152.922 bonds (distance) P-C4' energy: -178.102 flat angles C4'-P-C4' energy: -192.983 flat angles P-C4'-P energy: -124.164 tors. eta vs tors. theta energy: -253.159 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: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2881.424487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.424487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.424487 (E_RNA) where: Base-Base interactions energy: -1991.596 where: short stacking energy: -843.643 Base-Backbone interact. energy: -3.465 local terms energy: -886.362990 where: bonds (distance) C4'-P energy: -162.099 bonds (distance) P-C4' energy: -168.427 flat angles C4'-P-C4' energy: -191.727 flat angles P-C4'-P energy: -126.712 tors. eta vs tors. theta energy: -237.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2566.597511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.597511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.597511 (E_RNA) where: Base-Base interactions energy: -1755.772 where: short stacking energy: -794.036 Base-Backbone interact. energy: 1.885 local terms energy: -812.709763 where: bonds (distance) C4'-P energy: -157.898 bonds (distance) P-C4' energy: -173.598 flat angles C4'-P-C4' energy: -176.215 flat angles P-C4'-P energy: -111.581 tors. eta vs tors. theta energy: -193.417 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: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2508.301874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.301874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.301874 (E_RNA) where: Base-Base interactions energy: -1737.433 where: short stacking energy: -750.044 Base-Backbone interact. energy: -3.715 local terms energy: -767.154220 where: bonds (distance) C4'-P energy: -145.981 bonds (distance) P-C4' energy: -161.064 flat angles C4'-P-C4' energy: -177.759 flat angles P-C4'-P energy: -94.637 tors. eta vs tors. theta energy: -187.713 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: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2073.170841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.170841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.170841 (E_RNA) where: Base-Base interactions energy: -1373.823 where: short stacking energy: -574.594 Base-Backbone interact. energy: -3.213 local terms energy: -696.135749 where: bonds (distance) C4'-P energy: -144.004 bonds (distance) P-C4' energy: -182.916 flat angles C4'-P-C4' energy: -169.814 flat angles P-C4'-P energy: -77.030 tors. eta vs tors. theta energy: -122.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1684.398387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.398387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.398387 (E_RNA) where: Base-Base interactions energy: -1068.374 where: short stacking energy: -511.642 Base-Backbone interact. energy: 5.202 local terms energy: -621.226052 where: bonds (distance) C4'-P energy: -154.150 bonds (distance) P-C4' energy: -148.777 flat angles C4'-P-C4' energy: -141.668 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -93.352 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: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1504.672574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.672574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.672574 (E_RNA) where: Base-Base interactions energy: -911.055 where: short stacking energy: -406.923 Base-Backbone interact. energy: 0.156 local terms energy: -593.773748 where: bonds (distance) C4'-P energy: -136.132 bonds (distance) P-C4' energy: -139.482 flat angles C4'-P-C4' energy: -157.600 flat angles P-C4'-P energy: -105.597 tors. eta vs tors. theta energy: -54.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1136.784674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.784674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.784674 (E_RNA) where: Base-Base interactions energy: -657.920 where: short stacking energy: -335.660 Base-Backbone interact. energy: -0.409 local terms energy: -478.455108 where: bonds (distance) C4'-P energy: -120.845 bonds (distance) P-C4' energy: -148.048 flat angles C4'-P-C4' energy: -128.833 flat angles P-C4'-P energy: -60.525 tors. eta vs tors. theta energy: -20.203 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: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3217.474079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.474079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.474079 (E_RNA) where: Base-Base interactions energy: -2242.483 where: short stacking energy: -945.781 Base-Backbone interact. energy: -5.251 local terms energy: -969.740379 where: bonds (distance) C4'-P energy: -172.669 bonds (distance) P-C4' energy: -182.286 flat angles C4'-P-C4' energy: -216.636 flat angles P-C4'-P energy: -126.945 tors. eta vs tors. theta energy: -271.204 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: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3099.041319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.041319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.041319 (E_RNA) where: Base-Base interactions energy: -2115.557 where: short stacking energy: -944.205 Base-Backbone interact. energy: -4.375 local terms energy: -979.110032 where: bonds (distance) C4'-P energy: -175.791 bonds (distance) P-C4' energy: -186.996 flat angles C4'-P-C4' energy: -204.175 flat angles P-C4'-P energy: -128.815 tors. eta vs tors. theta energy: -283.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -3003.118830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.118830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.118830 (E_RNA) where: Base-Base interactions energy: -2083.699 where: short stacking energy: -907.150 Base-Backbone interact. energy: -1.257 local terms energy: -918.162995 where: bonds (distance) C4'-P energy: -154.139 bonds (distance) P-C4' energy: -177.461 flat angles C4'-P-C4' energy: -202.472 flat angles P-C4'-P energy: -129.579 tors. eta vs tors. theta energy: -254.512 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: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2868.860471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.860471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.860471 (E_RNA) where: Base-Base interactions energy: -1981.798 where: short stacking energy: -842.695 Base-Backbone interact. energy: -2.235 local terms energy: -884.826846 where: bonds (distance) C4'-P energy: -152.076 bonds (distance) P-C4' energy: -189.721 flat angles C4'-P-C4' energy: -190.361 flat angles P-C4'-P energy: -115.016 tors. eta vs tors. theta energy: -237.652 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: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2546.392597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.392597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.392597 (E_RNA) where: Base-Base interactions energy: -1752.187 where: short stacking energy: -780.981 Base-Backbone interact. energy: -0.567 local terms energy: -793.638770 where: bonds (distance) C4'-P energy: -152.488 bonds (distance) P-C4' energy: -157.114 flat angles C4'-P-C4' energy: -172.677 flat angles P-C4'-P energy: -111.348 tors. eta vs tors. theta energy: -200.011 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: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2496.203478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.203478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.203478 (E_RNA) where: Base-Base interactions energy: -1700.018 where: short stacking energy: -773.790 Base-Backbone interact. energy: -0.025 local terms energy: -796.160063 where: bonds (distance) C4'-P energy: -145.303 bonds (distance) P-C4' energy: -171.027 flat angles C4'-P-C4' energy: -191.069 flat angles P-C4'-P energy: -104.327 tors. eta vs tors. theta energy: -184.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2112.725835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.725835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.725835 (E_RNA) where: Base-Base interactions energy: -1414.794 where: short stacking energy: -635.171 Base-Backbone interact. energy: -1.690 local terms energy: -696.241558 where: bonds (distance) C4'-P energy: -155.831 bonds (distance) P-C4' energy: -161.497 flat angles C4'-P-C4' energy: -158.895 flat angles P-C4'-P energy: -98.211 tors. eta vs tors. theta energy: -121.807 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1670.985300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.985300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.985300 (E_RNA) where: Base-Base interactions energy: -1028.416 where: short stacking energy: -488.189 Base-Backbone interact. energy: 4.047 local terms energy: -646.616538 where: bonds (distance) C4'-P energy: -139.007 bonds (distance) P-C4' energy: -167.454 flat angles C4'-P-C4' energy: -158.441 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -78.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1529.846345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.846345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.846345 (E_RNA) where: Base-Base interactions energy: -936.215 where: short stacking energy: -424.019 Base-Backbone interact. energy: -2.608 local terms energy: -591.023702 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -158.426 flat angles C4'-P-C4' energy: -160.398 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -57.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -974.617068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.617068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.617068 (E_RNA) where: Base-Base interactions energy: -511.065 where: short stacking energy: -273.968 Base-Backbone interact. energy: -0.117 local terms energy: -463.434865 where: bonds (distance) C4'-P energy: -114.711 bonds (distance) P-C4' energy: -155.571 flat angles C4'-P-C4' energy: -128.455 flat angles P-C4'-P energy: -68.688 tors. eta vs tors. theta energy: 3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3190.985363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.985363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.985363 (E_RNA) where: Base-Base interactions energy: -2198.724 where: short stacking energy: -928.953 Base-Backbone interact. energy: -8.177 local terms energy: -984.083962 where: bonds (distance) C4'-P energy: -178.097 bonds (distance) P-C4' energy: -189.383 flat angles C4'-P-C4' energy: -190.664 flat angles P-C4'-P energy: -147.914 tors. eta vs tors. theta energy: -278.026 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: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3110.749311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.749311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.749311 (E_RNA) where: Base-Base interactions energy: -2151.200 where: short stacking energy: -960.202 Base-Backbone interact. energy: -3.679 local terms energy: -955.870194 where: bonds (distance) C4'-P energy: -178.031 bonds (distance) P-C4' energy: -162.592 flat angles C4'-P-C4' energy: -216.914 flat angles P-C4'-P energy: -128.373 tors. eta vs tors. theta energy: -269.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -3014.186394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.186394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.186394 (E_RNA) where: Base-Base interactions energy: -2095.413 where: short stacking energy: -889.848 Base-Backbone interact. energy: -4.718 local terms energy: -914.055853 where: bonds (distance) C4'-P energy: -165.771 bonds (distance) P-C4' energy: -184.303 flat angles C4'-P-C4' energy: -197.451 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -252.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2863.692874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.692874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.692874 (E_RNA) where: Base-Base interactions energy: -1968.204 where: short stacking energy: -868.508 Base-Backbone interact. energy: -3.547 local terms energy: -891.942610 where: bonds (distance) C4'-P energy: -167.019 bonds (distance) P-C4' energy: -162.335 flat angles C4'-P-C4' energy: -179.107 flat angles P-C4'-P energy: -136.707 tors. eta vs tors. theta energy: -246.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2537.451001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.451001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.451001 (E_RNA) where: Base-Base interactions energy: -1702.435 where: short stacking energy: -750.034 Base-Backbone interact. energy: -0.601 local terms energy: -834.414978 where: bonds (distance) C4'-P energy: -162.264 bonds (distance) P-C4' energy: -179.486 flat angles C4'-P-C4' energy: -179.749 flat angles P-C4'-P energy: -121.172 tors. eta vs tors. theta energy: -191.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2474.395902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.395902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.395902 (E_RNA) where: Base-Base interactions energy: -1717.776 where: short stacking energy: -726.591 Base-Backbone interact. energy: 2.440 local terms energy: -759.060503 where: bonds (distance) C4'-P energy: -145.009 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -185.152 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -184.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2142.302881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.302881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.302881 (E_RNA) where: Base-Base interactions energy: -1473.987 where: short stacking energy: -643.083 Base-Backbone interact. energy: -2.721 local terms energy: -665.594858 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -157.076 flat angles C4'-P-C4' energy: -169.485 flat angles P-C4'-P energy: -97.267 tors. eta vs tors. theta energy: -122.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1665.933985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.933985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.933985 (E_RNA) where: Base-Base interactions energy: -1043.742 where: short stacking energy: -512.721 Base-Backbone interact. energy: 2.915 local terms energy: -625.107240 where: bonds (distance) C4'-P energy: -148.801 bonds (distance) P-C4' energy: -149.465 flat angles C4'-P-C4' energy: -147.513 flat angles P-C4'-P energy: -92.462 tors. eta vs tors. theta energy: -86.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1484.429729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.429729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.429729 (E_RNA) where: Base-Base interactions energy: -881.881 where: short stacking energy: -439.896 Base-Backbone interact. energy: 3.731 local terms energy: -606.280130 where: bonds (distance) C4'-P energy: -136.622 bonds (distance) P-C4' energy: -167.478 flat angles C4'-P-C4' energy: -142.004 flat angles P-C4'-P energy: -82.421 tors. eta vs tors. theta energy: -77.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1045.672014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.672014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.672014 (E_RNA) where: Base-Base interactions energy: -531.125 where: short stacking energy: -307.818 Base-Backbone interact. energy: 2.459 local terms energy: -517.006082 where: bonds (distance) C4'-P energy: -148.903 bonds (distance) P-C4' energy: -168.540 flat angles C4'-P-C4' energy: -112.675 flat angles P-C4'-P energy: -76.072 tors. eta vs tors. theta energy: -10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3225.261131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.261131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.261131 (E_RNA) where: Base-Base interactions energy: -2258.694 where: short stacking energy: -927.310 Base-Backbone interact. energy: -4.392 local terms energy: -962.175004 where: bonds (distance) C4'-P energy: -177.639 bonds (distance) P-C4' energy: -185.088 flat angles C4'-P-C4' energy: -198.006 flat angles P-C4'-P energy: -121.829 tors. eta vs tors. theta energy: -279.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3132.262012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.262012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.262012 (E_RNA) where: Base-Base interactions energy: -2176.028 where: short stacking energy: -968.258 Base-Backbone interact. energy: -1.423 local terms energy: -954.810430 where: bonds (distance) C4'-P energy: -162.450 bonds (distance) P-C4' energy: -177.098 flat angles C4'-P-C4' energy: -210.535 flat angles P-C4'-P energy: -130.417 tors. eta vs tors. theta energy: -274.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2994.552338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.552338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.552338 (E_RNA) where: Base-Base interactions energy: -2076.248 where: short stacking energy: -885.213 Base-Backbone interact. energy: -7.901 local terms energy: -910.403538 where: bonds (distance) C4'-P energy: -162.686 bonds (distance) P-C4' energy: -187.471 flat angles C4'-P-C4' energy: -196.723 flat angles P-C4'-P energy: -125.605 tors. eta vs tors. theta energy: -237.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2886.016268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.016268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.016268 (E_RNA) where: Base-Base interactions energy: -1952.411 where: short stacking energy: -845.656 Base-Backbone interact. energy: 0.329 local terms energy: -933.934362 where: bonds (distance) C4'-P energy: -176.105 bonds (distance) P-C4' energy: -182.978 flat angles C4'-P-C4' energy: -196.200 flat angles P-C4'-P energy: -138.651 tors. eta vs tors. theta energy: -240.000 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: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2566.696714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.696714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.696714 (E_RNA) where: Base-Base interactions energy: -1719.568 where: short stacking energy: -751.125 Base-Backbone interact. energy: -2.898 local terms energy: -844.230697 where: bonds (distance) C4'-P energy: -175.767 bonds (distance) P-C4' energy: -161.139 flat angles C4'-P-C4' energy: -194.237 flat angles P-C4'-P energy: -113.816 tors. eta vs tors. theta energy: -199.272 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: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2405.401780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.401780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.401780 (E_RNA) where: Base-Base interactions energy: -1623.924 where: short stacking energy: -688.594 Base-Backbone interact. energy: -0.459 local terms energy: -781.019384 where: bonds (distance) C4'-P energy: -165.588 bonds (distance) P-C4' energy: -172.945 flat angles C4'-P-C4' energy: -167.167 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -171.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2067.795964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.795964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.795964 (E_RNA) where: Base-Base interactions energy: -1352.158 where: short stacking energy: -606.623 Base-Backbone interact. energy: 1.495 local terms energy: -717.132413 where: bonds (distance) C4'-P energy: -139.142 bonds (distance) P-C4' energy: -165.446 flat angles C4'-P-C4' energy: -163.909 flat angles P-C4'-P energy: -110.976 tors. eta vs tors. theta energy: -137.660 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: 384 Temperature: 1.250000 Total energy: -1661.347269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.347269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.347269 (E_RNA) where: Base-Base interactions energy: -1038.938 where: short stacking energy: -501.431 Base-Backbone interact. energy: 2.338 local terms energy: -624.747548 where: bonds (distance) C4'-P energy: -146.105 bonds (distance) P-C4' energy: -161.899 flat angles C4'-P-C4' energy: -153.117 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -88.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1583.835534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.835534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.835534 (E_RNA) where: Base-Base interactions energy: -1000.484 where: short stacking energy: -483.466 Base-Backbone interact. energy: 7.708 local terms energy: -591.059746 where: bonds (distance) C4'-P energy: -150.136 bonds (distance) P-C4' energy: -146.412 flat angles C4'-P-C4' energy: -143.671 flat angles P-C4'-P energy: -74.461 tors. eta vs tors. theta energy: -76.380 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1042.042888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.042888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.042888 (E_RNA) where: Base-Base interactions energy: -546.628 where: short stacking energy: -308.885 Base-Backbone interact. energy: 0.922 local terms energy: -496.336924 where: bonds (distance) C4'-P energy: -143.055 bonds (distance) P-C4' energy: -150.748 flat angles C4'-P-C4' energy: -145.582 flat angles P-C4'-P energy: -56.606 tors. eta vs tors. theta energy: -0.346 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: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3203.532666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.532666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.532666 (E_RNA) where: Base-Base interactions energy: -2235.242 where: short stacking energy: -945.934 Base-Backbone interact. energy: -2.390 local terms energy: -965.901556 where: bonds (distance) C4'-P energy: -185.244 bonds (distance) P-C4' energy: -162.972 flat angles C4'-P-C4' energy: -211.245 flat angles P-C4'-P energy: -129.873 tors. eta vs tors. theta energy: -276.568 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: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3108.625380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.625380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.625380 (E_RNA) where: Base-Base interactions energy: -2134.142 where: short stacking energy: -932.061 Base-Backbone interact. energy: -3.538 local terms energy: -970.945843 where: bonds (distance) C4'-P energy: -167.599 bonds (distance) P-C4' energy: -180.241 flat angles C4'-P-C4' energy: -205.175 flat angles P-C4'-P energy: -132.858 tors. eta vs tors. theta energy: -285.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -3001.644009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.644009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.644009 (E_RNA) where: Base-Base interactions energy: -2050.358 where: short stacking energy: -874.424 Base-Backbone interact. energy: -6.786 local terms energy: -944.500139 where: bonds (distance) C4'-P energy: -146.767 bonds (distance) P-C4' energy: -189.807 flat angles C4'-P-C4' energy: -198.088 flat angles P-C4'-P energy: -146.466 tors. eta vs tors. theta energy: -263.372 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: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2886.785245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.785245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.785245 (E_RNA) where: Base-Base interactions energy: -2005.476 where: short stacking energy: -884.893 Base-Backbone interact. energy: -4.648 local terms energy: -876.660598 where: bonds (distance) C4'-P energy: -168.092 bonds (distance) P-C4' energy: -157.429 flat angles C4'-P-C4' energy: -191.469 flat angles P-C4'-P energy: -115.422 tors. eta vs tors. theta energy: -244.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2563.692995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.692995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.692995 (E_RNA) where: Base-Base interactions energy: -1744.130 where: short stacking energy: -761.236 Base-Backbone interact. energy: -2.672 local terms energy: -816.890726 where: bonds (distance) C4'-P energy: -154.121 bonds (distance) P-C4' energy: -173.474 flat angles C4'-P-C4' energy: -180.406 flat angles P-C4'-P energy: -111.544 tors. eta vs tors. theta energy: -197.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2424.236995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.236995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.236995 (E_RNA) where: Base-Base interactions energy: -1669.527 where: short stacking energy: -736.243 Base-Backbone interact. energy: 2.166 local terms energy: -756.876441 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -156.684 flat angles C4'-P-C4' energy: -195.659 flat angles P-C4'-P energy: -105.051 tors. eta vs tors. theta energy: -163.640 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: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2082.731409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.731409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.731409 (E_RNA) where: Base-Base interactions energy: -1407.015 where: short stacking energy: -595.778 Base-Backbone interact. energy: -3.372 local terms energy: -672.345176 where: bonds (distance) C4'-P energy: -133.803 bonds (distance) P-C4' energy: -159.460 flat angles C4'-P-C4' energy: -152.966 flat angles P-C4'-P energy: -89.226 tors. eta vs tors. theta energy: -136.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1659.070966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.070966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.070966 (E_RNA) where: Base-Base interactions energy: -1017.332 where: short stacking energy: -474.960 Base-Backbone interact. energy: 3.791 local terms energy: -645.529570 where: bonds (distance) C4'-P energy: -148.678 bonds (distance) P-C4' energy: -147.400 flat angles C4'-P-C4' energy: -162.451 flat angles P-C4'-P energy: -101.102 tors. eta vs tors. theta energy: -85.899 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1578.276506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.276506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.276506 (E_RNA) where: Base-Base interactions energy: -992.853 where: short stacking energy: -461.031 Base-Backbone interact. energy: 5.886 local terms energy: -591.309826 where: bonds (distance) C4'-P energy: -142.592 bonds (distance) P-C4' energy: -140.220 flat angles C4'-P-C4' energy: -141.872 flat angles P-C4'-P energy: -76.861 tors. eta vs tors. theta energy: -89.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1086.542335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.542335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.542335 (E_RNA) where: Base-Base interactions energy: -610.468 where: short stacking energy: -311.296 Base-Backbone interact. energy: 0.332 local terms energy: -476.406595 where: bonds (distance) C4'-P energy: -153.032 bonds (distance) P-C4' energy: -136.657 flat angles C4'-P-C4' energy: -125.063 flat angles P-C4'-P energy: -64.143 tors. eta vs tors. theta energy: 2.488 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: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3234.402292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.402292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.402292 (E_RNA) where: Base-Base interactions energy: -2235.847 where: short stacking energy: -934.957 Base-Backbone interact. energy: -8.792 local terms energy: -989.762915 where: bonds (distance) C4'-P energy: -181.751 bonds (distance) P-C4' energy: -191.075 flat angles C4'-P-C4' energy: -205.783 flat angles P-C4'-P energy: -130.965 tors. eta vs tors. theta energy: -280.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3107.022506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.022506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.022506 (E_RNA) where: Base-Base interactions energy: -2135.963 where: short stacking energy: -964.347 Base-Backbone interact. energy: -5.686 local terms energy: -965.373336 where: bonds (distance) C4'-P energy: -169.200 bonds (distance) P-C4' energy: -177.506 flat angles C4'-P-C4' energy: -196.389 flat angles P-C4'-P energy: -142.121 tors. eta vs tors. theta energy: -280.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2981.600417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.600417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.600417 (E_RNA) where: Base-Base interactions energy: -2036.383 where: short stacking energy: -913.338 Base-Backbone interact. energy: -6.667 local terms energy: -938.550530 where: bonds (distance) C4'-P energy: -174.821 bonds (distance) P-C4' energy: -172.196 flat angles C4'-P-C4' energy: -208.591 flat angles P-C4'-P energy: -138.932 tors. eta vs tors. theta energy: -244.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2884.488898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.488898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.488898 (E_RNA) where: Base-Base interactions energy: -2011.563 where: short stacking energy: -867.172 Base-Backbone interact. energy: -4.846 local terms energy: -868.079881 where: bonds (distance) C4'-P energy: -164.446 bonds (distance) P-C4' energy: -168.208 flat angles C4'-P-C4' energy: -185.801 flat angles P-C4'-P energy: -114.216 tors. eta vs tors. theta energy: -235.409 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: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2602.781235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.781235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.781235 (E_RNA) where: Base-Base interactions energy: -1776.502 where: short stacking energy: -781.257 Base-Backbone interact. energy: -1.284 local terms energy: -824.995079 where: bonds (distance) C4'-P energy: -145.291 bonds (distance) P-C4' energy: -160.265 flat angles C4'-P-C4' energy: -199.763 flat angles P-C4'-P energy: -106.444 tors. eta vs tors. theta energy: -213.232 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: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2391.994995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.994995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.994995 (E_RNA) where: Base-Base interactions energy: -1598.521 where: short stacking energy: -706.375 Base-Backbone interact. energy: 0.957 local terms energy: -794.431287 where: bonds (distance) C4'-P energy: -167.382 bonds (distance) P-C4' energy: -148.927 flat angles C4'-P-C4' energy: -185.499 flat angles P-C4'-P energy: -101.337 tors. eta vs tors. theta energy: -191.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1965.660712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.660712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.660712 (E_RNA) where: Base-Base interactions energy: -1277.686 where: short stacking energy: -534.437 Base-Backbone interact. energy: -5.374 local terms energy: -682.600790 where: bonds (distance) C4'-P energy: -151.749 bonds (distance) P-C4' energy: -145.076 flat angles C4'-P-C4' energy: -160.340 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -132.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1677.109425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.109425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.109425 (E_RNA) where: Base-Base interactions energy: -1022.433 where: short stacking energy: -486.182 Base-Backbone interact. energy: -2.877 local terms energy: -651.800394 where: bonds (distance) C4'-P energy: -139.403 bonds (distance) P-C4' energy: -166.765 flat angles C4'-P-C4' energy: -153.879 flat angles P-C4'-P energy: -99.823 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: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1529.767451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.767451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.767451 (E_RNA) where: Base-Base interactions energy: -935.553 where: short stacking energy: -431.945 Base-Backbone interact. energy: -0.110 local terms energy: -594.104895 where: bonds (distance) C4'-P energy: -151.829 bonds (distance) P-C4' energy: -133.942 flat angles C4'-P-C4' energy: -150.898 flat angles P-C4'-P energy: -85.806 tors. eta vs tors. theta energy: -71.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1089.512947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.512947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.512947 (E_RNA) where: Base-Base interactions energy: -620.257 where: short stacking energy: -306.054 Base-Backbone interact. energy: 3.328 local terms energy: -472.584231 where: bonds (distance) C4'-P energy: -133.600 bonds (distance) P-C4' energy: -140.592 flat angles C4'-P-C4' energy: -126.054 flat angles P-C4'-P energy: -71.278 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3232.650490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.650490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.650490 (E_RNA) where: Base-Base interactions energy: -2256.057 where: short stacking energy: -957.728 Base-Backbone interact. energy: -2.403 local terms energy: -974.190678 where: bonds (distance) C4'-P energy: -193.040 bonds (distance) P-C4' energy: -176.669 flat angles C4'-P-C4' energy: -207.662 flat angles P-C4'-P energy: -127.288 tors. eta vs tors. theta energy: -269.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3124.655122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.655122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.655122 (E_RNA) where: Base-Base interactions energy: -2164.769 where: short stacking energy: -915.452 Base-Backbone interact. energy: -2.249 local terms energy: -957.636825 where: bonds (distance) C4'-P energy: -182.529 bonds (distance) P-C4' energy: -175.394 flat angles C4'-P-C4' energy: -197.492 flat angles P-C4'-P energy: -136.589 tors. eta vs tors. theta energy: -265.633 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: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2967.933455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.933455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.933455 (E_RNA) where: Base-Base interactions energy: -2063.151 where: short stacking energy: -875.719 Base-Backbone interact. energy: -3.779 local terms energy: -901.003516 where: bonds (distance) C4'-P energy: -174.211 bonds (distance) P-C4' energy: -182.031 flat angles C4'-P-C4' energy: -174.964 flat angles P-C4'-P energy: -124.985 tors. eta vs tors. theta energy: -244.813 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: 387 Temperature: 1.050000 Total energy: -2856.196198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.196198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.196198 (E_RNA) where: Base-Base interactions energy: -1950.867 where: short stacking energy: -851.470 Base-Backbone interact. energy: -5.065 local terms energy: -900.263870 where: bonds (distance) C4'-P energy: -154.548 bonds (distance) P-C4' energy: -178.441 flat angles C4'-P-C4' energy: -187.981 flat angles P-C4'-P energy: -139.189 tors. eta vs tors. theta energy: -240.105 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: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2549.038246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.038246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.038246 (E_RNA) where: Base-Base interactions energy: -1739.568 where: short stacking energy: -751.121 Base-Backbone interact. energy: 2.707 local terms energy: -812.176842 where: bonds (distance) C4'-P energy: -169.463 bonds (distance) P-C4' energy: -150.468 flat angles C4'-P-C4' energy: -173.614 flat angles P-C4'-P energy: -119.745 tors. eta vs tors. theta energy: -198.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2392.681373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.681373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.681373 (E_RNA) where: Base-Base interactions energy: -1618.411 where: short stacking energy: -711.937 Base-Backbone interact. energy: -1.415 local terms energy: -772.855074 where: bonds (distance) C4'-P energy: -157.273 bonds (distance) P-C4' energy: -161.103 flat angles C4'-P-C4' energy: -175.959 flat angles P-C4'-P energy: -102.323 tors. eta vs tors. theta energy: -176.197 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: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2014.946429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.946429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.946429 (E_RNA) where: Base-Base interactions energy: -1311.178 where: short stacking energy: -589.504 Base-Backbone interact. energy: -6.668 local terms energy: -697.100484 where: bonds (distance) C4'-P energy: -138.384 bonds (distance) P-C4' energy: -143.907 flat angles C4'-P-C4' energy: -173.602 flat angles P-C4'-P energy: -106.320 tors. eta vs tors. theta energy: -134.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1704.898016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.898016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.898016 (E_RNA) where: Base-Base interactions energy: -1087.847 where: short stacking energy: -503.755 Base-Backbone interact. energy: -2.606 local terms energy: -614.445054 where: bonds (distance) C4'-P energy: -140.474 bonds (distance) P-C4' energy: -145.487 flat angles C4'-P-C4' energy: -161.195 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -84.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1573.814591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.814591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.814591 (E_RNA) where: Base-Base interactions energy: -984.735 where: short stacking energy: -460.493 Base-Backbone interact. energy: -1.129 local terms energy: -587.950748 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -145.624 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -83.454 tors. eta vs tors. theta energy: -64.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1127.646065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.646065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.646065 (E_RNA) where: Base-Base interactions energy: -595.812 where: short stacking energy: -342.148 Base-Backbone interact. energy: -3.988 local terms energy: -527.845901 where: bonds (distance) C4'-P energy: -136.619 bonds (distance) P-C4' energy: -147.315 flat angles C4'-P-C4' energy: -156.497 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -24.089 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: 388 Temperature: 0.900000 Total energy: -3232.540355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.540355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.540355 (E_RNA) where: Base-Base interactions energy: -2236.428 where: short stacking energy: -937.368 Base-Backbone interact. energy: -4.602 local terms energy: -991.509950 where: bonds (distance) C4'-P energy: -179.407 bonds (distance) P-C4' energy: -173.210 flat angles C4'-P-C4' energy: -214.928 flat angles P-C4'-P energy: -154.561 tors. eta vs tors. theta energy: -269.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3112.172164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.172164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.172164 (E_RNA) where: Base-Base interactions energy: -2144.714 where: short stacking energy: -914.628 Base-Backbone interact. energy: -2.856 local terms energy: -964.602622 where: bonds (distance) C4'-P energy: -170.225 bonds (distance) P-C4' energy: -184.907 flat angles C4'-P-C4' energy: -213.264 flat angles P-C4'-P energy: -128.282 tors. eta vs tors. theta energy: -267.925 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: 388 Temperature: 1.000000 Total energy: -2941.751600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.751600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.751600 (E_RNA) where: Base-Base interactions energy: -1994.423 where: short stacking energy: -890.989 Base-Backbone interact. energy: -2.175 local terms energy: -945.152921 where: bonds (distance) C4'-P energy: -174.723 bonds (distance) P-C4' energy: -167.773 flat angles C4'-P-C4' energy: -200.609 flat angles P-C4'-P energy: -143.319 tors. eta vs tors. theta energy: -258.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2897.162119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.162119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.162119 (E_RNA) where: Base-Base interactions energy: -2002.098 where: short stacking energy: -871.645 Base-Backbone interact. energy: -4.095 local terms energy: -890.969082 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -166.054 flat angles C4'-P-C4' energy: -192.593 flat angles P-C4'-P energy: -122.354 tors. eta vs tors. theta energy: -262.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2570.744659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.744659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.744659 (E_RNA) where: Base-Base interactions energy: -1748.379 where: short stacking energy: -772.993 Base-Backbone interact. energy: -4.168 local terms energy: -818.198205 where: bonds (distance) C4'-P energy: -153.493 bonds (distance) P-C4' energy: -165.664 flat angles C4'-P-C4' energy: -176.564 flat angles P-C4'-P energy: -111.391 tors. eta vs tors. theta energy: -211.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2453.564452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.564452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.564452 (E_RNA) where: Base-Base interactions energy: -1664.387 where: short stacking energy: -737.338 Base-Backbone interact. energy: -4.194 local terms energy: -784.983600 where: bonds (distance) C4'-P energy: -141.856 bonds (distance) P-C4' energy: -170.435 flat angles C4'-P-C4' energy: -164.162 flat angles P-C4'-P energy: -107.519 tors. eta vs tors. theta energy: -201.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2025.102692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.102692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.102692 (E_RNA) where: Base-Base interactions energy: -1343.231 where: short stacking energy: -604.770 Base-Backbone interact. energy: 0.058 local terms energy: -681.929027 where: bonds (distance) C4'-P energy: -137.938 bonds (distance) P-C4' energy: -154.825 flat angles C4'-P-C4' energy: -162.102 flat angles P-C4'-P energy: -93.664 tors. eta vs tors. theta energy: -133.400 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: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1623.872008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.872008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.872008 (E_RNA) where: Base-Base interactions energy: -1044.169 where: short stacking energy: -471.107 Base-Backbone interact. energy: 5.184 local terms energy: -584.886621 where: bonds (distance) C4'-P energy: -147.042 bonds (distance) P-C4' energy: -156.464 flat angles C4'-P-C4' energy: -152.769 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -58.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1590.452285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.452285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.452285 (E_RNA) where: Base-Base interactions energy: -979.673 where: short stacking energy: -484.243 Base-Backbone interact. energy: -1.214 local terms energy: -609.565448 where: bonds (distance) C4'-P energy: -150.171 bonds (distance) P-C4' energy: -159.684 flat angles C4'-P-C4' energy: -139.225 flat angles P-C4'-P energy: -81.102 tors. eta vs tors. theta energy: -79.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1068.416257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.416257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.416257 (E_RNA) where: Base-Base interactions energy: -593.854 where: short stacking energy: -302.436 Base-Backbone interact. energy: -3.416 local terms energy: -471.145764 where: bonds (distance) C4'-P energy: -111.223 bonds (distance) P-C4' energy: -154.936 flat angles C4'-P-C4' energy: -123.483 flat angles P-C4'-P energy: -71.695 tors. eta vs tors. theta energy: -9.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3193.488646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.488646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.488646 (E_RNA) where: Base-Base interactions energy: -2241.651 where: short stacking energy: -942.815 Base-Backbone interact. energy: -8.421 local terms energy: -943.415972 where: bonds (distance) C4'-P energy: -159.146 bonds (distance) P-C4' energy: -188.069 flat angles C4'-P-C4' energy: -204.758 flat angles P-C4'-P energy: -128.726 tors. eta vs tors. theta energy: -262.718 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: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3172.970926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.970926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.970926 (E_RNA) where: Base-Base interactions energy: -2190.159 where: short stacking energy: -965.079 Base-Backbone interact. energy: -3.930 local terms energy: -978.881585 where: bonds (distance) C4'-P energy: -173.630 bonds (distance) P-C4' energy: -180.954 flat angles C4'-P-C4' energy: -209.806 flat angles P-C4'-P energy: -130.691 tors. eta vs tors. theta energy: -283.800 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: 389 Temperature: 1.000000 Total energy: -2963.727808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.727808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.727808 (E_RNA) where: Base-Base interactions energy: -2055.603 where: short stacking energy: -878.106 Base-Backbone interact. energy: -3.438 local terms energy: -904.686315 where: bonds (distance) C4'-P energy: -162.763 bonds (distance) P-C4' energy: -169.107 flat angles C4'-P-C4' energy: -198.231 flat angles P-C4'-P energy: -145.215 tors. eta vs tors. theta energy: -229.370 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: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2917.068984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.068984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.068984 (E_RNA) where: Base-Base interactions energy: -2002.254 where: short stacking energy: -874.371 Base-Backbone interact. energy: -4.522 local terms energy: -910.292772 where: bonds (distance) C4'-P energy: -166.109 bonds (distance) P-C4' energy: -176.286 flat angles C4'-P-C4' energy: -186.134 flat angles P-C4'-P energy: -138.702 tors. eta vs tors. theta energy: -243.062 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: 389 Temperature: 1.100000 Total energy: -2659.552124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.552124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.552124 (E_RNA) where: Base-Base interactions energy: -1809.056 where: short stacking energy: -794.730 Base-Backbone interact. energy: -3.881 local terms energy: -846.615465 where: bonds (distance) C4'-P energy: -149.346 bonds (distance) P-C4' energy: -166.891 flat angles C4'-P-C4' energy: -202.105 flat angles P-C4'-P energy: -118.658 tors. eta vs tors. theta energy: -209.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2395.170496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.170496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.170496 (E_RNA) where: Base-Base interactions energy: -1626.461 where: short stacking energy: -697.702 Base-Backbone interact. energy: -0.810 local terms energy: -767.899650 where: bonds (distance) C4'-P energy: -151.583 bonds (distance) P-C4' energy: -153.277 flat angles C4'-P-C4' energy: -189.070 flat angles P-C4'-P energy: -97.066 tors. eta vs tors. theta energy: -176.903 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: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2098.513208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.513208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.513208 (E_RNA) where: Base-Base interactions energy: -1387.867 where: short stacking energy: -601.525 Base-Backbone interact. energy: -3.301 local terms energy: -707.344554 where: bonds (distance) C4'-P energy: -153.749 bonds (distance) P-C4' energy: -158.311 flat angles C4'-P-C4' energy: -171.860 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -143.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1644.304506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.304506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.304506 (E_RNA) where: Base-Base interactions energy: -1005.416 where: short stacking energy: -478.564 Base-Backbone interact. energy: 0.918 local terms energy: -639.807025 where: bonds (distance) C4'-P energy: -149.253 bonds (distance) P-C4' energy: -158.168 flat angles C4'-P-C4' energy: -159.729 flat angles P-C4'-P energy: -94.572 tors. eta vs tors. theta energy: -78.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1455.361017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.361017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.361017 (E_RNA) where: Base-Base interactions energy: -894.091 where: short stacking energy: -431.276 Base-Backbone interact. energy: -1.682 local terms energy: -559.588390 where: bonds (distance) C4'-P energy: -148.692 bonds (distance) P-C4' energy: -158.374 flat angles C4'-P-C4' energy: -140.198 flat angles P-C4'-P energy: -70.274 tors. eta vs tors. theta energy: -42.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1025.236843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.236843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.236843 (E_RNA) where: Base-Base interactions energy: -517.655 where: short stacking energy: -280.829 Base-Backbone interact. energy: -3.232 local terms energy: -504.349115 where: bonds (distance) C4'-P energy: -158.547 bonds (distance) P-C4' energy: -142.651 flat angles C4'-P-C4' energy: -131.437 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: 2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3219.948781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.948781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.948781 (E_RNA) where: Base-Base interactions energy: -2235.773 where: short stacking energy: -970.856 Base-Backbone interact. energy: 0.764 local terms energy: -984.939086 where: bonds (distance) C4'-P energy: -171.939 bonds (distance) P-C4' energy: -188.505 flat angles C4'-P-C4' energy: -206.652 flat angles P-C4'-P energy: -140.186 tors. eta vs tors. theta energy: -277.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -3126.457857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.457857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.457857 (E_RNA) where: Base-Base interactions energy: -2185.872 where: short stacking energy: -922.394 Base-Backbone interact. energy: -5.393 local terms energy: -935.192434 where: bonds (distance) C4'-P energy: -145.606 bonds (distance) P-C4' energy: -171.474 flat angles C4'-P-C4' energy: -206.399 flat angles P-C4'-P energy: -133.181 tors. eta vs tors. theta energy: -278.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2982.435888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.435888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.435888 (E_RNA) where: Base-Base interactions energy: -2048.600 where: short stacking energy: -894.926 Base-Backbone interact. energy: -2.703 local terms energy: -931.133469 where: bonds (distance) C4'-P energy: -170.299 bonds (distance) P-C4' energy: -178.936 flat angles C4'-P-C4' energy: -211.753 flat angles P-C4'-P energy: -125.473 tors. eta vs tors. theta energy: -244.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2842.201697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.201697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.201697 (E_RNA) where: Base-Base interactions energy: -1964.698 where: short stacking energy: -824.791 Base-Backbone interact. energy: -3.736 local terms energy: -873.766978 where: bonds (distance) C4'-P energy: -147.741 bonds (distance) P-C4' energy: -173.370 flat angles C4'-P-C4' energy: -195.038 flat angles P-C4'-P energy: -123.396 tors. eta vs tors. theta energy: -234.223 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: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2540.872537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.872537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.872537 (E_RNA) where: Base-Base interactions energy: -1739.677 where: short stacking energy: -760.872 Base-Backbone interact. energy: -1.991 local terms energy: -799.204437 where: bonds (distance) C4'-P energy: -123.343 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -185.579 flat angles P-C4'-P energy: -121.944 tors. eta vs tors. theta energy: -219.714 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: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2370.196104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.196104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.196104 (E_RNA) where: Base-Base interactions energy: -1625.540 where: short stacking energy: -752.810 Base-Backbone interact. energy: 0.280 local terms energy: -744.936337 where: bonds (distance) C4'-P energy: -118.420 bonds (distance) P-C4' energy: -158.577 flat angles C4'-P-C4' energy: -184.644 flat angles P-C4'-P energy: -110.768 tors. eta vs tors. theta energy: -172.529 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: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2021.142229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.142229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.142229 (E_RNA) where: Base-Base interactions energy: -1316.412 where: short stacking energy: -602.768 Base-Backbone interact. energy: -1.509 local terms energy: -703.221251 where: bonds (distance) C4'-P energy: -148.106 bonds (distance) P-C4' energy: -163.829 flat angles C4'-P-C4' energy: -163.642 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: -133.014 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: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1694.674632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.674632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.674632 (E_RNA) where: Base-Base interactions energy: -1088.458 where: short stacking energy: -519.317 Base-Backbone interact. energy: 3.054 local terms energy: -609.269863 where: bonds (distance) C4'-P energy: -130.187 bonds (distance) P-C4' energy: -156.067 flat angles C4'-P-C4' energy: -146.950 flat angles P-C4'-P energy: -104.767 tors. eta vs tors. theta energy: -71.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1511.723071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.723071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.723071 (E_RNA) where: Base-Base interactions energy: -971.829 where: short stacking energy: -460.170 Base-Backbone interact. energy: 3.005 local terms energy: -542.899171 where: bonds (distance) C4'-P energy: -136.890 bonds (distance) P-C4' energy: -146.514 flat angles C4'-P-C4' energy: -141.016 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -51.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -985.710327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.710327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.710327 (E_RNA) where: Base-Base interactions energy: -472.973 where: short stacking energy: -265.032 Base-Backbone interact. energy: 0.064 local terms energy: -512.802029 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -165.287 flat angles C4'-P-C4' energy: -128.746 flat angles P-C4'-P energy: -91.499 tors. eta vs tors. theta energy: 4.742 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: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3215.046150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.046150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.046150 (E_RNA) where: Base-Base interactions energy: -2209.231 where: short stacking energy: -966.655 Base-Backbone interact. energy: -5.829 local terms energy: -999.985847 where: bonds (distance) C4'-P energy: -180.523 bonds (distance) P-C4' energy: -202.032 flat angles C4'-P-C4' energy: -208.693 flat angles P-C4'-P energy: -128.845 tors. eta vs tors. theta energy: -279.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -3140.339926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.339926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.339926 (E_RNA) where: Base-Base interactions energy: -2177.865 where: short stacking energy: -929.368 Base-Backbone interact. energy: -2.718 local terms energy: -959.756764 where: bonds (distance) C4'-P energy: -168.841 bonds (distance) P-C4' energy: -182.648 flat angles C4'-P-C4' energy: -203.192 flat angles P-C4'-P energy: -128.596 tors. eta vs tors. theta energy: -276.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2944.884347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.884347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.884347 (E_RNA) where: Base-Base interactions energy: -2000.016 where: short stacking energy: -854.392 Base-Backbone interact. energy: -4.599 local terms energy: -940.268802 where: bonds (distance) C4'-P energy: -188.974 bonds (distance) P-C4' energy: -171.937 flat angles C4'-P-C4' energy: -192.240 flat angles P-C4'-P energy: -133.407 tors. eta vs tors. theta energy: -253.711 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: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2885.273432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.273432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.273432 (E_RNA) where: Base-Base interactions energy: -2014.397 where: short stacking energy: -872.578 Base-Backbone interact. energy: 1.510 local terms energy: -872.387048 where: bonds (distance) C4'-P energy: -159.043 bonds (distance) P-C4' energy: -163.133 flat angles C4'-P-C4' energy: -173.248 flat angles P-C4'-P energy: -126.420 tors. eta vs tors. theta energy: -250.542 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: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2630.142532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.142532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.142532 (E_RNA) where: Base-Base interactions energy: -1770.827 where: short stacking energy: -781.348 Base-Backbone interact. energy: -2.987 local terms energy: -856.327910 where: bonds (distance) C4'-P energy: -154.261 bonds (distance) P-C4' energy: -172.410 flat angles C4'-P-C4' energy: -188.561 flat angles P-C4'-P energy: -129.087 tors. eta vs tors. theta energy: -212.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2385.582574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.582574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.582574 (E_RNA) where: Base-Base interactions energy: -1607.827 where: short stacking energy: -707.821 Base-Backbone interact. energy: -1.945 local terms energy: -775.810468 where: bonds (distance) C4'-P energy: -167.642 bonds (distance) P-C4' energy: -154.515 flat angles C4'-P-C4' energy: -169.539 flat angles P-C4'-P energy: -96.893 tors. eta vs tors. theta energy: -187.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2035.530091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.530091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.530091 (E_RNA) where: Base-Base interactions energy: -1352.007 where: short stacking energy: -595.274 Base-Backbone interact. energy: -3.665 local terms energy: -679.857839 where: bonds (distance) C4'-P energy: -167.033 bonds (distance) P-C4' energy: -142.464 flat angles C4'-P-C4' energy: -160.041 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -124.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1684.597137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.597137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.597137 (E_RNA) where: Base-Base interactions energy: -1050.169 where: short stacking energy: -461.141 Base-Backbone interact. energy: -4.752 local terms energy: -629.675514 where: bonds (distance) C4'-P energy: -139.670 bonds (distance) P-C4' energy: -168.694 flat angles C4'-P-C4' energy: -167.221 flat angles P-C4'-P energy: -87.851 tors. eta vs tors. theta energy: -66.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1612.516414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.516414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.516414 (E_RNA) where: Base-Base interactions energy: -1005.876 where: short stacking energy: -466.408 Base-Backbone interact. energy: 3.176 local terms energy: -609.816262 where: bonds (distance) C4'-P energy: -142.210 bonds (distance) P-C4' energy: -153.884 flat angles C4'-P-C4' energy: -144.649 flat angles P-C4'-P energy: -92.267 tors. eta vs tors. theta energy: -76.805 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: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -957.837535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.837535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.837535 (E_RNA) where: Base-Base interactions energy: -500.925 where: short stacking energy: -291.987 Base-Backbone interact. energy: 6.689 local terms energy: -463.601162 where: bonds (distance) C4'-P energy: -149.728 bonds (distance) P-C4' energy: -152.527 flat angles C4'-P-C4' energy: -110.896 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3220.858827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.858827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.858827 (E_RNA) where: Base-Base interactions energy: -2215.595 where: short stacking energy: -941.478 Base-Backbone interact. energy: -8.390 local terms energy: -996.873853 where: bonds (distance) C4'-P energy: -190.061 bonds (distance) P-C4' energy: -194.636 flat angles C4'-P-C4' energy: -207.079 flat angles P-C4'-P energy: -122.312 tors. eta vs tors. theta energy: -282.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -3155.211964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.211964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.211964 (E_RNA) where: Base-Base interactions energy: -2157.332 where: short stacking energy: -903.377 Base-Backbone interact. energy: -2.012 local terms energy: -995.867813 where: bonds (distance) C4'-P energy: -187.920 bonds (distance) P-C4' energy: -186.555 flat angles C4'-P-C4' energy: -211.421 flat angles P-C4'-P energy: -144.726 tors. eta vs tors. theta energy: -265.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2944.540934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.540934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.540934 (E_RNA) where: Base-Base interactions energy: -2019.853 where: short stacking energy: -866.911 Base-Backbone interact. energy: -5.601 local terms energy: -919.087301 where: bonds (distance) C4'-P energy: -182.754 bonds (distance) P-C4' energy: -163.166 flat angles C4'-P-C4' energy: -195.757 flat angles P-C4'-P energy: -136.538 tors. eta vs tors. theta energy: -240.872 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: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2937.814112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.814112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.814112 (E_RNA) where: Base-Base interactions energy: -2008.046 where: short stacking energy: -850.806 Base-Backbone interact. energy: -6.568 local terms energy: -923.200995 where: bonds (distance) C4'-P energy: -162.070 bonds (distance) P-C4' energy: -178.294 flat angles C4'-P-C4' energy: -205.164 flat angles P-C4'-P energy: -134.938 tors. eta vs tors. theta energy: -242.736 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: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2636.178657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.178657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.178657 (E_RNA) where: Base-Base interactions energy: -1821.825 where: short stacking energy: -812.750 Base-Backbone interact. energy: -4.866 local terms energy: -809.487105 where: bonds (distance) C4'-P energy: -147.774 bonds (distance) P-C4' energy: -135.255 flat angles C4'-P-C4' energy: -181.578 flat angles P-C4'-P energy: -122.897 tors. eta vs tors. theta energy: -221.983 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: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2451.536875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.536875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.536875 (E_RNA) where: Base-Base interactions energy: -1680.580 where: short stacking energy: -726.521 Base-Backbone interact. energy: 0.242 local terms energy: -771.198648 where: bonds (distance) C4'-P energy: -157.978 bonds (distance) P-C4' energy: -163.401 flat angles C4'-P-C4' energy: -175.135 flat angles P-C4'-P energy: -104.809 tors. eta vs tors. theta energy: -169.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2095.994269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.994269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.994269 (E_RNA) where: Base-Base interactions energy: -1394.665 where: short stacking energy: -636.500 Base-Backbone interact. energy: -4.389 local terms energy: -696.940240 where: bonds (distance) C4'-P energy: -148.229 bonds (distance) P-C4' energy: -172.469 flat angles C4'-P-C4' energy: -154.330 flat angles P-C4'-P energy: -90.602 tors. eta vs tors. theta energy: -131.310 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: 392 Temperature: 1.250000 Total energy: -1701.988627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.988627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.988627 (E_RNA) where: Base-Base interactions energy: -1078.079 where: short stacking energy: -501.699 Base-Backbone interact. energy: 3.184 local terms energy: -627.093492 where: bonds (distance) C4'-P energy: -139.984 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -152.200 flat angles P-C4'-P energy: -112.683 tors. eta vs tors. theta energy: -79.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1586.398050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.398050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.398050 (E_RNA) where: Base-Base interactions energy: -989.331 where: short stacking energy: -484.044 Base-Backbone interact. energy: -5.406 local terms energy: -591.660119 where: bonds (distance) C4'-P energy: -122.022 bonds (distance) P-C4' energy: -170.191 flat angles C4'-P-C4' energy: -135.574 flat angles P-C4'-P energy: -77.331 tors. eta vs tors. theta energy: -86.542 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -982.341961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.341961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.341961 (E_RNA) where: Base-Base interactions energy: -549.811 where: short stacking energy: -300.542 Base-Backbone interact. energy: -1.541 local terms energy: -430.989777 where: bonds (distance) C4'-P energy: -116.165 bonds (distance) P-C4' energy: -122.878 flat angles C4'-P-C4' energy: -146.107 flat angles P-C4'-P energy: -61.817 tors. eta vs tors. theta energy: 15.978 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: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3202.098790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.098790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.098790 (E_RNA) where: Base-Base interactions energy: -2184.520 where: short stacking energy: -944.660 Base-Backbone interact. energy: -2.347 local terms energy: -1015.232117 where: bonds (distance) C4'-P energy: -175.048 bonds (distance) P-C4' energy: -211.531 flat angles C4'-P-C4' energy: -211.830 flat angles P-C4'-P energy: -143.660 tors. eta vs tors. theta energy: -273.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -3125.154779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.154779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.154779 (E_RNA) where: Base-Base interactions energy: -2157.699 where: short stacking energy: -970.109 Base-Backbone interact. energy: -2.967 local terms energy: -964.488754 where: bonds (distance) C4'-P energy: -189.187 bonds (distance) P-C4' energy: -167.346 flat angles C4'-P-C4' energy: -200.853 flat angles P-C4'-P energy: -129.543 tors. eta vs tors. theta energy: -277.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2917.363631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.363631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.363631 (E_RNA) where: Base-Base interactions energy: -1989.933 where: short stacking energy: -849.915 Base-Backbone interact. energy: -1.340 local terms energy: -926.090962 where: bonds (distance) C4'-P energy: -157.784 bonds (distance) P-C4' energy: -184.436 flat angles C4'-P-C4' energy: -206.988 flat angles P-C4'-P energy: -132.504 tors. eta vs tors. theta energy: -244.379 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: 4, replica: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2937.769940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.769940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.769940 (E_RNA) where: Base-Base interactions energy: -2040.958 where: short stacking energy: -860.897 Base-Backbone interact. energy: -1.764 local terms energy: -895.047438 where: bonds (distance) C4'-P energy: -141.337 bonds (distance) P-C4' energy: -158.656 flat angles C4'-P-C4' energy: -215.498 flat angles P-C4'-P energy: -130.132 tors. eta vs tors. theta energy: -249.424 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: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2552.897567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.897567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.897567 (E_RNA) where: Base-Base interactions energy: -1762.770 where: short stacking energy: -786.779 Base-Backbone interact. energy: 0.881 local terms energy: -791.008311 where: bonds (distance) C4'-P energy: -157.429 bonds (distance) P-C4' energy: -155.393 flat angles C4'-P-C4' energy: -174.440 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -205.650 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2434.322388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.322388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.322388 (E_RNA) where: Base-Base interactions energy: -1641.558 where: short stacking energy: -720.351 Base-Backbone interact. energy: -3.326 local terms energy: -789.437838 where: bonds (distance) C4'-P energy: -158.761 bonds (distance) P-C4' energy: -178.164 flat angles C4'-P-C4' energy: -164.608 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -183.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2093.467576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.467576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.467576 (E_RNA) where: Base-Base interactions energy: -1392.269 where: short stacking energy: -618.452 Base-Backbone interact. energy: -7.713 local terms energy: -693.485844 where: bonds (distance) C4'-P energy: -141.301 bonds (distance) P-C4' energy: -159.984 flat angles C4'-P-C4' energy: -161.959 flat angles P-C4'-P energy: -90.972 tors. eta vs tors. theta energy: -139.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1721.869584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.869584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.869584 (E_RNA) where: Base-Base interactions energy: -1090.753 where: short stacking energy: -522.498 Base-Backbone interact. energy: -3.086 local terms energy: -628.030138 where: bonds (distance) C4'-P energy: -150.041 bonds (distance) P-C4' energy: -133.931 flat angles C4'-P-C4' energy: -148.311 flat angles P-C4'-P energy: -94.916 tors. eta vs tors. theta energy: -100.831 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: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1565.659044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.659044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.659044 (E_RNA) where: Base-Base interactions energy: -972.029 where: short stacking energy: -434.922 Base-Backbone interact. energy: 2.279 local terms energy: -595.908656 where: bonds (distance) C4'-P energy: -154.518 bonds (distance) P-C4' energy: -156.097 flat angles C4'-P-C4' energy: -145.766 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -71.038 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: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1099.696889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.696889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.696889 (E_RNA) where: Base-Base interactions energy: -571.322 where: short stacking energy: -320.589 Base-Backbone interact. energy: -2.006 local terms energy: -526.369186 where: bonds (distance) C4'-P energy: -148.008 bonds (distance) P-C4' energy: -139.401 flat angles C4'-P-C4' energy: -146.290 flat angles P-C4'-P energy: -84.023 tors. eta vs tors. theta energy: -8.647 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: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3206.048316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.048316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.048316 (E_RNA) where: Base-Base interactions energy: -2218.395 where: short stacking energy: -953.321 Base-Backbone interact. energy: -1.662 local terms energy: -985.991082 where: bonds (distance) C4'-P energy: -187.284 bonds (distance) P-C4' energy: -182.426 flat angles C4'-P-C4' energy: -203.991 flat angles P-C4'-P energy: -145.191 tors. eta vs tors. theta energy: -267.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -3162.388278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.388278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.388278 (E_RNA) where: Base-Base interactions energy: -2206.598 where: short stacking energy: -952.446 Base-Backbone interact. energy: -1.615 local terms energy: -954.175515 where: bonds (distance) C4'-P energy: -167.289 bonds (distance) P-C4' energy: -163.506 flat angles C4'-P-C4' energy: -218.220 flat angles P-C4'-P energy: -145.243 tors. eta vs tors. theta energy: -259.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2946.394823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.394823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.394823 (E_RNA) where: Base-Base interactions energy: -2023.380 where: short stacking energy: -863.782 Base-Backbone interact. energy: 0.640 local terms energy: -923.655218 where: bonds (distance) C4'-P energy: -169.642 bonds (distance) P-C4' energy: -178.871 flat angles C4'-P-C4' energy: -194.077 flat angles P-C4'-P energy: -136.219 tors. eta vs tors. theta energy: -244.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2877.664716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.664716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.664716 (E_RNA) where: Base-Base interactions energy: -1994.575 where: short stacking energy: -823.078 Base-Backbone interact. energy: -1.748 local terms energy: -881.342116 where: bonds (distance) C4'-P energy: -142.649 bonds (distance) P-C4' energy: -168.194 flat angles C4'-P-C4' energy: -191.579 flat angles P-C4'-P energy: -137.303 tors. eta vs tors. theta energy: -241.617 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: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2631.322255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.322255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.322255 (E_RNA) where: Base-Base interactions energy: -1784.428 where: short stacking energy: -801.651 Base-Backbone interact. energy: -3.828 local terms energy: -843.067021 where: bonds (distance) C4'-P energy: -162.243 bonds (distance) P-C4' energy: -180.702 flat angles C4'-P-C4' energy: -192.187 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -198.677 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: 394 Temperature: 1.150000 Total energy: -2326.539168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.539168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.539168 (E_RNA) where: Base-Base interactions energy: -1543.906 where: short stacking energy: -662.541 Base-Backbone interact. energy: -5.422 local terms energy: -777.211248 where: bonds (distance) C4'-P energy: -162.774 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -188.296 flat angles P-C4'-P energy: -110.352 tors. eta vs tors. theta energy: -160.628 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: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1977.359103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.359103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.359103 (E_RNA) where: Base-Base interactions energy: -1276.980 where: short stacking energy: -586.661 Base-Backbone interact. energy: 0.734 local terms energy: -701.112812 where: bonds (distance) C4'-P energy: -154.037 bonds (distance) P-C4' energy: -141.865 flat angles C4'-P-C4' energy: -175.925 flat angles P-C4'-P energy: -98.609 tors. eta vs tors. theta energy: -130.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1681.840903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.840903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.840903 (E_RNA) where: Base-Base interactions energy: -1084.003 where: short stacking energy: -497.102 Base-Backbone interact. energy: -0.879 local terms energy: -596.958513 where: bonds (distance) C4'-P energy: -141.713 bonds (distance) P-C4' energy: -153.401 flat angles C4'-P-C4' energy: -162.066 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: -66.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1662.723528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.723528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.723528 (E_RNA) where: Base-Base interactions energy: -1081.029 where: short stacking energy: -490.679 Base-Backbone interact. energy: -4.928 local terms energy: -576.766610 where: bonds (distance) C4'-P energy: -133.744 bonds (distance) P-C4' energy: -139.050 flat angles C4'-P-C4' energy: -139.866 flat angles P-C4'-P energy: -81.196 tors. eta vs tors. theta energy: -82.911 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: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1075.904679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.904679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.904679 (E_RNA) where: Base-Base interactions energy: -579.776 where: short stacking energy: -307.492 Base-Backbone interact. energy: 6.351 local terms energy: -502.478974 where: bonds (distance) C4'-P energy: -129.455 bonds (distance) P-C4' energy: -139.129 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -92.963 tors. eta vs tors. theta energy: 9.428 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: 395 Temperature: 0.900000 Total energy: -3226.942476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.942476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.942476 (E_RNA) where: Base-Base interactions energy: -2225.149 where: short stacking energy: -954.488 Base-Backbone interact. energy: -3.980 local terms energy: -997.812902 where: bonds (distance) C4'-P energy: -185.583 bonds (distance) P-C4' energy: -191.332 flat angles C4'-P-C4' energy: -208.633 flat angles P-C4'-P energy: -137.591 tors. eta vs tors. theta energy: -274.674 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: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -3182.809489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.809489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.809489 (E_RNA) where: Base-Base interactions energy: -2206.562 where: short stacking energy: -935.594 Base-Backbone interact. energy: 3.141 local terms energy: -979.387996 where: bonds (distance) C4'-P energy: -188.224 bonds (distance) P-C4' energy: -180.579 flat angles C4'-P-C4' energy: -204.697 flat angles P-C4'-P energy: -134.293 tors. eta vs tors. theta energy: -271.595 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: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2985.677631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.677631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.677631 (E_RNA) where: Base-Base interactions energy: -2061.879 where: short stacking energy: -886.504 Base-Backbone interact. energy: -1.798 local terms energy: -922.000523 where: bonds (distance) C4'-P energy: -164.454 bonds (distance) P-C4' energy: -175.278 flat angles C4'-P-C4' energy: -189.317 flat angles P-C4'-P energy: -134.627 tors. eta vs tors. theta energy: -258.325 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: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2892.037205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.037205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.037205 (E_RNA) where: Base-Base interactions energy: -2009.242 where: short stacking energy: -854.004 Base-Backbone interact. energy: 2.373 local terms energy: -885.169114 where: bonds (distance) C4'-P energy: -172.256 bonds (distance) P-C4' energy: -172.706 flat angles C4'-P-C4' energy: -179.877 flat angles P-C4'-P energy: -121.648 tors. eta vs tors. theta energy: -238.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2635.266573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.266573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.266573 (E_RNA) where: Base-Base interactions energy: -1790.354 where: short stacking energy: -803.785 Base-Backbone interact. energy: 6.729 local terms energy: -851.640722 where: bonds (distance) C4'-P energy: -160.728 bonds (distance) P-C4' energy: -167.176 flat angles C4'-P-C4' energy: -198.468 flat angles P-C4'-P energy: -122.844 tors. eta vs tors. theta energy: -202.425 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: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2378.882504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.882504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.882504 (E_RNA) where: Base-Base interactions energy: -1611.000 where: short stacking energy: -731.634 Base-Backbone interact. energy: -0.913 local terms energy: -766.968814 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -168.778 flat angles C4'-P-C4' energy: -176.920 flat angles P-C4'-P energy: -97.341 tors. eta vs tors. theta energy: -181.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1976.661468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.661468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.661468 (E_RNA) where: Base-Base interactions energy: -1288.289 where: short stacking energy: -575.880 Base-Backbone interact. energy: -4.422 local terms energy: -683.950567 where: bonds (distance) C4'-P energy: -155.465 bonds (distance) P-C4' energy: -161.878 flat angles C4'-P-C4' energy: -146.708 flat angles P-C4'-P energy: -88.676 tors. eta vs tors. theta energy: -131.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1740.314332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.314332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.314332 (E_RNA) where: Base-Base interactions energy: -1125.220 where: short stacking energy: -526.052 Base-Backbone interact. energy: 0.642 local terms energy: -615.736066 where: bonds (distance) C4'-P energy: -130.358 bonds (distance) P-C4' energy: -149.922 flat angles C4'-P-C4' energy: -146.806 flat angles P-C4'-P energy: -86.532 tors. eta vs tors. theta energy: -102.118 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: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1632.784044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.784044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.784044 (E_RNA) where: Base-Base interactions energy: -1042.641 where: short stacking energy: -480.874 Base-Backbone interact. energy: -3.334 local terms energy: -586.808592 where: bonds (distance) C4'-P energy: -164.154 bonds (distance) P-C4' energy: -144.427 flat angles C4'-P-C4' energy: -129.926 flat angles P-C4'-P energy: -78.890 tors. eta vs tors. theta energy: -69.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1020.319281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.319281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.319281 (E_RNA) where: Base-Base interactions energy: -558.697 where: short stacking energy: -288.872 Base-Backbone interact. energy: 3.391 local terms energy: -465.012711 where: bonds (distance) C4'-P energy: -142.827 bonds (distance) P-C4' energy: -126.251 flat angles C4'-P-C4' energy: -106.852 flat angles P-C4'-P energy: -92.601 tors. eta vs tors. theta energy: 3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3250.559522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.559522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.559522 (E_RNA) where: Base-Base interactions energy: -2248.914 where: short stacking energy: -992.243 Base-Backbone interact. energy: -6.590 local terms energy: -995.055109 where: bonds (distance) C4'-P energy: -177.057 bonds (distance) P-C4' energy: -186.324 flat angles C4'-P-C4' energy: -216.096 flat angles P-C4'-P energy: -136.999 tors. eta vs tors. theta energy: -278.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -3134.690150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.690150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.690150 (E_RNA) where: Base-Base interactions energy: -2158.812 where: short stacking energy: -942.507 Base-Backbone interact. energy: -0.813 local terms energy: -975.065195 where: bonds (distance) C4'-P energy: -168.279 bonds (distance) P-C4' energy: -181.073 flat angles C4'-P-C4' energy: -216.590 flat angles P-C4'-P energy: -132.660 tors. eta vs tors. theta energy: -276.462 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: 396 Temperature: 1.000000 Total energy: -3012.528849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.528849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.528849 (E_RNA) where: Base-Base interactions energy: -2085.490 where: short stacking energy: -899.971 Base-Backbone interact. energy: -7.711 local terms energy: -919.328245 where: bonds (distance) C4'-P energy: -161.999 bonds (distance) P-C4' energy: -143.557 flat angles C4'-P-C4' energy: -197.663 flat angles P-C4'-P energy: -150.172 tors. eta vs tors. theta energy: -265.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2879.420685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.420685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.420685 (E_RNA) where: Base-Base interactions energy: -1989.264 where: short stacking energy: -878.810 Base-Backbone interact. energy: -2.990 local terms energy: -887.166536 where: bonds (distance) C4'-P energy: -149.292 bonds (distance) P-C4' energy: -173.349 flat angles C4'-P-C4' energy: -196.804 flat angles P-C4'-P energy: -127.556 tors. eta vs tors. theta energy: -240.165 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: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2619.058717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.058717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.058717 (E_RNA) where: Base-Base interactions energy: -1772.203 where: short stacking energy: -769.625 Base-Backbone interact. energy: -7.564 local terms energy: -839.291784 where: bonds (distance) C4'-P energy: -165.134 bonds (distance) P-C4' energy: -178.882 flat angles C4'-P-C4' energy: -182.431 flat angles P-C4'-P energy: -108.854 tors. eta vs tors. theta energy: -203.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2368.776545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.776545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.776545 (E_RNA) where: Base-Base interactions energy: -1587.094 where: short stacking energy: -679.054 Base-Backbone interact. energy: -0.163 local terms energy: -781.519912 where: bonds (distance) C4'-P energy: -148.510 bonds (distance) P-C4' energy: -158.049 flat angles C4'-P-C4' energy: -193.944 flat angles P-C4'-P energy: -107.822 tors. eta vs tors. theta energy: -173.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1978.931325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.931325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.931325 (E_RNA) where: Base-Base interactions energy: -1287.585 where: short stacking energy: -585.351 Base-Backbone interact. energy: -3.973 local terms energy: -687.373506 where: bonds (distance) C4'-P energy: -151.641 bonds (distance) P-C4' energy: -148.781 flat angles C4'-P-C4' energy: -147.544 flat angles P-C4'-P energy: -102.666 tors. eta vs tors. theta energy: -136.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1730.626524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.626524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.626524 (E_RNA) where: Base-Base interactions energy: -1085.021 where: short stacking energy: -519.076 Base-Backbone interact. energy: -0.513 local terms energy: -645.092455 where: bonds (distance) C4'-P energy: -144.728 bonds (distance) P-C4' energy: -176.802 flat angles C4'-P-C4' energy: -150.995 flat angles P-C4'-P energy: -62.322 tors. eta vs tors. theta energy: -110.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1635.400861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.400861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.400861 (E_RNA) where: Base-Base interactions energy: -1059.868 where: short stacking energy: -476.778 Base-Backbone interact. energy: 2.816 local terms energy: -578.349183 where: bonds (distance) C4'-P energy: -127.010 bonds (distance) P-C4' energy: -134.793 flat angles C4'-P-C4' energy: -155.510 flat angles P-C4'-P energy: -83.422 tors. eta vs tors. theta energy: -77.614 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: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -956.508952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.508952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.508952 (E_RNA) where: Base-Base interactions energy: -499.028 where: short stacking energy: -272.507 Base-Backbone interact. energy: 3.593 local terms energy: -461.073681 where: bonds (distance) C4'-P energy: -124.858 bonds (distance) P-C4' energy: -151.165 flat angles C4'-P-C4' energy: -129.490 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: 6.305 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: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3253.120337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.120337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.120337 (E_RNA) where: Base-Base interactions energy: -2251.652 where: short stacking energy: -980.228 Base-Backbone interact. energy: -1.081 local terms energy: -1000.387073 where: bonds (distance) C4'-P energy: -186.335 bonds (distance) P-C4' energy: -182.763 flat angles C4'-P-C4' energy: -218.364 flat angles P-C4'-P energy: -129.722 tors. eta vs tors. theta energy: -283.204 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: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -3125.991803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.991803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.991803 (E_RNA) where: Base-Base interactions energy: -2165.809 where: short stacking energy: -965.307 Base-Backbone interact. energy: 1.724 local terms energy: -961.906799 where: bonds (distance) C4'-P energy: -165.927 bonds (distance) P-C4' energy: -184.657 flat angles C4'-P-C4' energy: -205.585 flat angles P-C4'-P energy: -130.521 tors. eta vs tors. theta energy: -275.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2978.199502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.199502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.199502 (E_RNA) where: Base-Base interactions energy: -2054.655 where: short stacking energy: -849.012 Base-Backbone interact. energy: -7.417 local terms energy: -916.127716 where: bonds (distance) C4'-P energy: -175.172 bonds (distance) P-C4' energy: -174.835 flat angles C4'-P-C4' energy: -200.929 flat angles P-C4'-P energy: -124.992 tors. eta vs tors. theta energy: -240.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2892.149970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.149970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.149970 (E_RNA) where: Base-Base interactions energy: -2033.441 where: short stacking energy: -872.763 Base-Backbone interact. energy: -1.883 local terms energy: -856.826432 where: bonds (distance) C4'-P energy: -167.426 bonds (distance) P-C4' energy: -142.476 flat angles C4'-P-C4' energy: -190.675 flat angles P-C4'-P energy: -118.185 tors. eta vs tors. theta energy: -238.065 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: 397 Temperature: 1.100000 Total energy: -2660.440151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.440151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.440151 (E_RNA) where: Base-Base interactions energy: -1807.013 where: short stacking energy: -793.639 Base-Backbone interact. energy: -2.762 local terms energy: -850.665021 where: bonds (distance) C4'-P energy: -154.072 bonds (distance) P-C4' energy: -183.392 flat angles C4'-P-C4' energy: -183.001 flat angles P-C4'-P energy: -126.290 tors. eta vs tors. theta energy: -203.910 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: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2410.067084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.067084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.067084 (E_RNA) where: Base-Base interactions energy: -1656.224 where: short stacking energy: -744.551 Base-Backbone interact. energy: 1.139 local terms energy: -754.982555 where: bonds (distance) C4'-P energy: -134.840 bonds (distance) P-C4' energy: -160.073 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -123.553 tors. eta vs tors. theta energy: -174.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1904.348845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.348845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.348845 (E_RNA) where: Base-Base interactions energy: -1239.269 where: short stacking energy: -565.341 Base-Backbone interact. energy: 2.241 local terms energy: -667.321064 where: bonds (distance) C4'-P energy: -134.072 bonds (distance) P-C4' energy: -158.440 flat angles C4'-P-C4' energy: -153.223 flat angles P-C4'-P energy: -103.911 tors. eta vs tors. theta energy: -117.675 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: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1728.453324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.453324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.453324 (E_RNA) where: Base-Base interactions energy: -1118.182 where: short stacking energy: -518.357 Base-Backbone interact. energy: 0.744 local terms energy: -611.015384 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -156.649 flat angles C4'-P-C4' energy: -132.496 flat angles P-C4'-P energy: -99.095 tors. eta vs tors. theta energy: -79.953 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: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1657.010277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.010277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.010277 (E_RNA) where: Base-Base interactions energy: -1070.816 where: short stacking energy: -499.307 Base-Backbone interact. energy: -2.449 local terms energy: -583.745294 where: bonds (distance) C4'-P energy: -121.402 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -143.673 flat angles P-C4'-P energy: -76.572 tors. eta vs tors. theta energy: -92.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -982.450025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.450025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.450025 (E_RNA) where: Base-Base interactions energy: -508.869 where: short stacking energy: -320.284 Base-Backbone interact. energy: 3.848 local terms energy: -477.428192 where: bonds (distance) C4'-P energy: -157.503 bonds (distance) P-C4' energy: -143.674 flat angles C4'-P-C4' energy: -107.251 flat angles P-C4'-P energy: -70.216 tors. eta vs tors. theta energy: 1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3229.913595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.913595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.913595 (E_RNA) where: Base-Base interactions energy: -2217.533 where: short stacking energy: -949.997 Base-Backbone interact. energy: -3.772 local terms energy: -1008.608834 where: bonds (distance) C4'-P energy: -181.385 bonds (distance) P-C4' energy: -192.617 flat angles C4'-P-C4' energy: -206.715 flat angles P-C4'-P energy: -143.052 tors. eta vs tors. theta energy: -284.840 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: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -3118.660972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.660972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.660972 (E_RNA) where: Base-Base interactions energy: -2130.733 where: short stacking energy: -930.756 Base-Backbone interact. energy: -5.469 local terms energy: -982.458295 where: bonds (distance) C4'-P energy: -181.429 bonds (distance) P-C4' energy: -182.474 flat angles C4'-P-C4' energy: -209.122 flat angles P-C4'-P energy: -143.388 tors. eta vs tors. theta energy: -266.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2970.009564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.009564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.009564 (E_RNA) where: Base-Base interactions energy: -2045.763 where: short stacking energy: -902.012 Base-Backbone interact. energy: -1.480 local terms energy: -922.766804 where: bonds (distance) C4'-P energy: -158.773 bonds (distance) P-C4' energy: -184.133 flat angles C4'-P-C4' energy: -195.985 flat angles P-C4'-P energy: -134.184 tors. eta vs tors. theta energy: -249.691 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: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2888.428880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.428880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.428880 (E_RNA) where: Base-Base interactions energy: -2030.690 where: short stacking energy: -847.980 Base-Backbone interact. energy: -2.859 local terms energy: -854.879090 where: bonds (distance) C4'-P energy: -144.524 bonds (distance) P-C4' energy: -167.851 flat angles C4'-P-C4' energy: -174.627 flat angles P-C4'-P energy: -124.135 tors. eta vs tors. theta energy: -243.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2804.582746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.582746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.582746 (E_RNA) where: Base-Base interactions energy: -1913.234 where: short stacking energy: -832.013 Base-Backbone interact. energy: -6.158 local terms energy: -885.190927 where: bonds (distance) C4'-P energy: -146.939 bonds (distance) P-C4' energy: -188.635 flat angles C4'-P-C4' energy: -192.037 flat angles P-C4'-P energy: -118.852 tors. eta vs tors. theta energy: -238.728 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: 398 Temperature: 1.150000 Total energy: -2434.247999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.247999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.247999 (E_RNA) where: Base-Base interactions energy: -1631.231 where: short stacking energy: -703.214 Base-Backbone interact. energy: -3.770 local terms energy: -799.247664 where: bonds (distance) C4'-P energy: -151.090 bonds (distance) P-C4' energy: -169.682 flat angles C4'-P-C4' energy: -168.020 flat angles P-C4'-P energy: -132.427 tors. eta vs tors. theta energy: -178.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1924.737770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.737770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.737770 (E_RNA) where: Base-Base interactions energy: -1245.159 where: short stacking energy: -530.088 Base-Backbone interact. energy: -5.375 local terms energy: -674.204132 where: bonds (distance) C4'-P energy: -149.023 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -154.444 flat angles P-C4'-P energy: -110.784 tors. eta vs tors. theta energy: -115.207 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: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1800.956467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.956467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.956467 (E_RNA) where: Base-Base interactions energy: -1164.259 where: short stacking energy: -542.922 Base-Backbone interact. energy: 2.480 local terms energy: -639.177680 where: bonds (distance) C4'-P energy: -140.040 bonds (distance) P-C4' energy: -160.722 flat angles C4'-P-C4' energy: -166.980 flat angles P-C4'-P energy: -80.410 tors. eta vs tors. theta energy: -91.026 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: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1595.374594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.374594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.374594 (E_RNA) where: Base-Base interactions energy: -1036.833 where: short stacking energy: -465.082 Base-Backbone interact. energy: 0.795 local terms energy: -559.337106 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -143.700 flat angles C4'-P-C4' energy: -131.391 flat angles P-C4'-P energy: -87.298 tors. eta vs tors. theta energy: -53.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -974.076720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.076720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.076720 (E_RNA) where: Base-Base interactions energy: -484.993 where: short stacking energy: -297.162 Base-Backbone interact. energy: 1.607 local terms energy: -490.690288 where: bonds (distance) C4'-P energy: -143.506 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -128.152 flat angles P-C4'-P energy: -73.076 tors. eta vs tors. theta energy: 2.062 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: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3222.523632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.523632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.523632 (E_RNA) where: Base-Base interactions energy: -2256.448 where: short stacking energy: -982.199 Base-Backbone interact. energy: -7.756 local terms energy: -958.319446 where: bonds (distance) C4'-P energy: -173.605 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -196.336 flat angles P-C4'-P energy: -145.994 tors. eta vs tors. theta energy: -281.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3082.347691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.347691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.347691 (E_RNA) where: Base-Base interactions energy: -2119.091 where: short stacking energy: -922.571 Base-Backbone interact. energy: -5.932 local terms energy: -957.324067 where: bonds (distance) C4'-P energy: -174.968 bonds (distance) P-C4' energy: -190.286 flat angles C4'-P-C4' energy: -203.630 flat angles P-C4'-P energy: -134.940 tors. eta vs tors. theta energy: -253.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -3053.877057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.877057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.877057 (E_RNA) where: Base-Base interactions energy: -2111.342 where: short stacking energy: -950.620 Base-Backbone interact. energy: -2.370 local terms energy: -940.165707 where: bonds (distance) C4'-P energy: -163.007 bonds (distance) P-C4' energy: -150.996 flat angles C4'-P-C4' energy: -207.696 flat angles P-C4'-P energy: -146.426 tors. eta vs tors. theta energy: -272.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2838.881408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.881408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.881408 (E_RNA) where: Base-Base interactions energy: -1957.363 where: short stacking energy: -842.476 Base-Backbone interact. energy: -5.787 local terms energy: -875.731456 where: bonds (distance) C4'-P energy: -151.377 bonds (distance) P-C4' energy: -173.777 flat angles C4'-P-C4' energy: -183.942 flat angles P-C4'-P energy: -125.719 tors. eta vs tors. theta energy: -240.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2768.583121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.583121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.583121 (E_RNA) where: Base-Base interactions energy: -1922.377 where: short stacking energy: -797.080 Base-Backbone interact. energy: -1.753 local terms energy: -844.453255 where: bonds (distance) C4'-P energy: -144.501 bonds (distance) P-C4' energy: -176.889 flat angles C4'-P-C4' energy: -190.170 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -233.412 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: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2465.052936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.052936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.052936 (E_RNA) where: Base-Base interactions energy: -1699.684 where: short stacking energy: -721.634 Base-Backbone interact. energy: -4.549 local terms energy: -760.819590 where: bonds (distance) C4'-P energy: -149.924 bonds (distance) P-C4' energy: -169.986 flat angles C4'-P-C4' energy: -166.731 flat angles P-C4'-P energy: -91.282 tors. eta vs tors. theta energy: -182.898 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: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1968.961334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.961334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.961334 (E_RNA) where: Base-Base interactions energy: -1268.272 where: short stacking energy: -592.935 Base-Backbone interact. energy: -3.352 local terms energy: -697.336582 where: bonds (distance) C4'-P energy: -130.954 bonds (distance) P-C4' energy: -147.971 flat angles C4'-P-C4' energy: -179.485 flat angles P-C4'-P energy: -113.989 tors. eta vs tors. theta energy: -124.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1730.170986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.170986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.170986 (E_RNA) where: Base-Base interactions energy: -1107.838 where: short stacking energy: -510.469 Base-Backbone interact. energy: 4.686 local terms energy: -627.019807 where: bonds (distance) C4'-P energy: -137.892 bonds (distance) P-C4' energy: -137.133 flat angles C4'-P-C4' energy: -148.863 flat angles P-C4'-P energy: -109.031 tors. eta vs tors. theta energy: -94.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1650.666431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.666431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.666431 (E_RNA) where: Base-Base interactions energy: -1068.373 where: short stacking energy: -488.006 Base-Backbone interact. energy: -3.800 local terms energy: -578.493635 where: bonds (distance) C4'-P energy: -141.173 bonds (distance) P-C4' energy: -132.135 flat angles C4'-P-C4' energy: -139.383 flat angles P-C4'-P energy: -91.991 tors. eta vs tors. theta energy: -73.812 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: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -907.371959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.371959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.371959 (E_RNA) where: Base-Base interactions energy: -436.431 where: short stacking energy: -253.707 Base-Backbone interact. energy: 0.275 local terms energy: -471.215253 where: bonds (distance) C4'-P energy: -144.120 bonds (distance) P-C4' energy: -139.710 flat angles C4'-P-C4' energy: -90.050 flat angles P-C4'-P energy: -97.817 tors. eta vs tors. theta energy: 0.482 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: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3239.349041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.349041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.349041 (E_RNA) where: Base-Base interactions energy: -2232.057 where: short stacking energy: -952.268 Base-Backbone interact. energy: -6.654 local terms energy: -1000.638282 where: bonds (distance) C4'-P energy: -184.256 bonds (distance) P-C4' energy: -180.430 flat angles C4'-P-C4' energy: -208.094 flat angles P-C4'-P energy: -148.790 tors. eta vs tors. theta energy: -279.069 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: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -3082.914321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.914321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.914321 (E_RNA) where: Base-Base interactions energy: -2108.660 where: short stacking energy: -933.122 Base-Backbone interact. energy: -1.031 local terms energy: -973.223971 where: bonds (distance) C4'-P energy: -166.775 bonds (distance) P-C4' energy: -185.057 flat angles C4'-P-C4' energy: -213.190 flat angles P-C4'-P energy: -144.230 tors. eta vs tors. theta energy: -263.973 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -3034.466855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.466855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.466855 (E_RNA) where: Base-Base interactions energy: -2144.350 where: short stacking energy: -916.961 Base-Backbone interact. energy: -1.750 local terms energy: -888.366784 where: bonds (distance) C4'-P energy: -147.669 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -202.314 flat angles P-C4'-P energy: -123.087 tors. eta vs tors. theta energy: -260.718 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2888.857787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.857787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.857787 (E_RNA) where: Base-Base interactions energy: -1999.787 where: short stacking energy: -863.755 Base-Backbone interact. energy: -2.004 local terms energy: -887.067078 where: bonds (distance) C4'-P energy: -157.855 bonds (distance) P-C4' energy: -174.664 flat angles C4'-P-C4' energy: -184.776 flat angles P-C4'-P energy: -116.712 tors. eta vs tors. theta energy: -253.059 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: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2803.285105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.285105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.285105 (E_RNA) where: Base-Base interactions energy: -1930.747 where: short stacking energy: -842.707 Base-Backbone interact. energy: -7.374 local terms energy: -865.163851 where: bonds (distance) C4'-P energy: -169.513 bonds (distance) P-C4' energy: -144.096 flat angles C4'-P-C4' energy: -187.328 flat angles P-C4'-P energy: -126.228 tors. eta vs tors. theta energy: -237.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2497.887411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.887411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.887411 (E_RNA) where: Base-Base interactions energy: -1690.966 where: short stacking energy: -747.943 Base-Backbone interact. energy: -3.202 local terms energy: -803.720179 where: bonds (distance) C4'-P energy: -147.461 bonds (distance) P-C4' energy: -153.049 flat angles C4'-P-C4' energy: -179.495 flat angles P-C4'-P energy: -120.838 tors. eta vs tors. theta energy: -202.877 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: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1918.344234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.344234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.344234 (E_RNA) where: Base-Base interactions energy: -1226.520 where: short stacking energy: -550.207 Base-Backbone interact. energy: 0.574 local terms energy: -692.398483 where: bonds (distance) C4'-P energy: -163.110 bonds (distance) P-C4' energy: -154.981 flat angles C4'-P-C4' energy: -158.313 flat angles P-C4'-P energy: -100.635 tors. eta vs tors. theta energy: -115.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1741.465350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.465350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.465350 (E_RNA) where: Base-Base interactions energy: -1103.771 where: short stacking energy: -492.664 Base-Backbone interact. energy: 2.212 local terms energy: -639.905595 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -158.161 flat angles C4'-P-C4' energy: -150.340 flat angles P-C4'-P energy: -101.165 tors. eta vs tors. theta energy: -84.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1600.516221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.516221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.516221 (E_RNA) where: Base-Base interactions energy: -995.697 where: short stacking energy: -422.745 Base-Backbone interact. energy: -0.552 local terms energy: -604.267802 where: bonds (distance) C4'-P energy: -145.678 bonds (distance) P-C4' energy: -144.470 flat angles C4'-P-C4' energy: -142.561 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -71.516 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: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -882.908120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.908120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.908120 (E_RNA) where: Base-Base interactions energy: -439.364 where: short stacking energy: -262.291 Base-Backbone interact. energy: -1.185 local terms energy: -442.358599 where: bonds (distance) C4'-P energy: -124.052 bonds (distance) P-C4' energy: -156.803 flat angles C4'-P-C4' energy: -110.648 flat angles P-C4'-P energy: -77.628 tors. eta vs tors. theta energy: 26.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3229.764927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.764927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.764927 (E_RNA) where: Base-Base interactions energy: -2232.237 where: short stacking energy: -952.956 Base-Backbone interact. energy: -10.424 local terms energy: -987.103615 where: bonds (distance) C4'-P energy: -185.274 bonds (distance) P-C4' energy: -182.742 flat angles C4'-P-C4' energy: -205.531 flat angles P-C4'-P energy: -131.409 tors. eta vs tors. theta energy: -282.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -3104.793094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.793094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.793094 (E_RNA) where: Base-Base interactions energy: -2149.017 where: short stacking energy: -946.751 Base-Backbone interact. energy: -5.823 local terms energy: -949.952290 where: bonds (distance) C4'-P energy: -179.029 bonds (distance) P-C4' energy: -162.891 flat angles C4'-P-C4' energy: -205.873 flat angles P-C4'-P energy: -145.045 tors. eta vs tors. theta energy: -257.115 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: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -3028.920100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.920100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.920100 (E_RNA) where: Base-Base interactions energy: -2116.959 where: short stacking energy: -931.425 Base-Backbone interact. energy: -2.930 local terms energy: -909.031201 where: bonds (distance) C4'-P energy: -169.361 bonds (distance) P-C4' energy: -165.194 flat angles C4'-P-C4' energy: -200.149 flat angles P-C4'-P energy: -122.111 tors. eta vs tors. theta energy: -252.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2895.733283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.733283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.733283 (E_RNA) where: Base-Base interactions energy: -2000.458 where: short stacking energy: -881.907 Base-Backbone interact. energy: -5.821 local terms energy: -889.453819 where: bonds (distance) C4'-P energy: -137.873 bonds (distance) P-C4' energy: -173.174 flat angles C4'-P-C4' energy: -204.503 flat angles P-C4'-P energy: -129.379 tors. eta vs tors. theta energy: -244.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2714.047584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.047584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.047584 (E_RNA) where: Base-Base interactions energy: -1815.681 where: short stacking energy: -787.248 Base-Backbone interact. energy: 1.344 local terms energy: -899.710377 where: bonds (distance) C4'-P energy: -170.829 bonds (distance) P-C4' energy: -175.126 flat angles C4'-P-C4' energy: -197.140 flat angles P-C4'-P energy: -117.792 tors. eta vs tors. theta energy: -238.824 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2469.765256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.765256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.765256 (E_RNA) where: Base-Base interactions energy: -1681.712 where: short stacking energy: -737.026 Base-Backbone interact. energy: 0.833 local terms energy: -788.885490 where: bonds (distance) C4'-P energy: -153.855 bonds (distance) P-C4' energy: -150.353 flat angles C4'-P-C4' energy: -189.344 flat angles P-C4'-P energy: -100.946 tors. eta vs tors. theta energy: -194.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1903.785649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.785649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.785649 (E_RNA) where: Base-Base interactions energy: -1249.443 where: short stacking energy: -562.348 Base-Backbone interact. energy: -4.862 local terms energy: -649.480737 where: bonds (distance) C4'-P energy: -157.028 bonds (distance) P-C4' energy: -148.645 flat angles C4'-P-C4' energy: -144.516 flat angles P-C4'-P energy: -87.772 tors. eta vs tors. theta energy: -111.519 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: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1813.060010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.060010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.060010 (E_RNA) where: Base-Base interactions energy: -1165.162 where: short stacking energy: -509.990 Base-Backbone interact. energy: 18.096 local terms energy: -665.994048 where: bonds (distance) C4'-P energy: -136.863 bonds (distance) P-C4' energy: -183.684 flat angles C4'-P-C4' energy: -161.069 flat angles P-C4'-P energy: -82.608 tors. eta vs tors. theta energy: -101.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1627.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.511970 (E_RNA) where: Base-Base interactions energy: -1004.171 where: short stacking energy: -464.983 Base-Backbone interact. energy: -1.866 local terms energy: -621.475213 where: bonds (distance) C4'-P energy: -146.806 bonds (distance) P-C4' energy: -160.311 flat angles C4'-P-C4' energy: -151.340 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -68.915 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: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -968.363438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.363438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.363438 (E_RNA) where: Base-Base interactions energy: -481.797 where: short stacking energy: -271.466 Base-Backbone interact. energy: -3.891 local terms energy: -482.675012 where: bonds (distance) C4'-P energy: -154.692 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -121.037 flat angles P-C4'-P energy: -86.359 tors. eta vs tors. theta energy: 20.984 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: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3239.289744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.289744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.289744 (E_RNA) where: Base-Base interactions energy: -2226.779 where: short stacking energy: -952.499 Base-Backbone interact. energy: -6.146 local terms energy: -1006.365291 where: bonds (distance) C4'-P energy: -198.328 bonds (distance) P-C4' energy: -177.976 flat angles C4'-P-C4' energy: -210.686 flat angles P-C4'-P energy: -135.848 tors. eta vs tors. theta energy: -283.527 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: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3069.857367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.857367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.857367 (E_RNA) where: Base-Base interactions energy: -2114.888 where: short stacking energy: -918.076 Base-Backbone interact. energy: -5.720 local terms energy: -949.249523 where: bonds (distance) C4'-P energy: -166.124 bonds (distance) P-C4' energy: -182.645 flat angles C4'-P-C4' energy: -197.791 flat angles P-C4'-P energy: -136.610 tors. eta vs tors. theta energy: -266.079 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: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -3019.935936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.935936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.935936 (E_RNA) where: Base-Base interactions energy: -2087.830 where: short stacking energy: -886.531 Base-Backbone interact. energy: 1.105 local terms energy: -933.211349 where: bonds (distance) C4'-P energy: -150.744 bonds (distance) P-C4' energy: -188.322 flat angles C4'-P-C4' energy: -217.759 flat angles P-C4'-P energy: -128.182 tors. eta vs tors. theta energy: -248.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2887.109433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.109433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.109433 (E_RNA) where: Base-Base interactions energy: -1995.109 where: short stacking energy: -854.784 Base-Backbone interact. energy: -9.125 local terms energy: -882.875785 where: bonds (distance) C4'-P energy: -162.509 bonds (distance) P-C4' energy: -182.694 flat angles C4'-P-C4' energy: -179.780 flat angles P-C4'-P energy: -123.107 tors. eta vs tors. theta energy: -234.786 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: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2715.139718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.139718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.139718 (E_RNA) where: Base-Base interactions energy: -1883.977 where: short stacking energy: -776.000 Base-Backbone interact. energy: 1.776 local terms energy: -832.938831 where: bonds (distance) C4'-P energy: -140.995 bonds (distance) P-C4' energy: -175.986 flat angles C4'-P-C4' energy: -182.528 flat angles P-C4'-P energy: -112.362 tors. eta vs tors. theta energy: -221.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2531.037476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.037476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.037476 (E_RNA) where: Base-Base interactions energy: -1696.420 where: short stacking energy: -796.956 Base-Backbone interact. energy: -3.283 local terms energy: -831.334887 where: bonds (distance) C4'-P energy: -162.152 bonds (distance) P-C4' energy: -165.938 flat angles C4'-P-C4' energy: -173.446 flat angles P-C4'-P energy: -112.548 tors. eta vs tors. theta energy: -217.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1890.297576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.297576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.297576 (E_RNA) where: Base-Base interactions energy: -1192.708 where: short stacking energy: -545.185 Base-Backbone interact. energy: -1.367 local terms energy: -696.223024 where: bonds (distance) C4'-P energy: -176.448 bonds (distance) P-C4' energy: -158.265 flat angles C4'-P-C4' energy: -149.430 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -104.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1782.355078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.355078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.355078 (E_RNA) where: Base-Base interactions energy: -1166.127 where: short stacking energy: -555.441 Base-Backbone interact. energy: -3.084 local terms energy: -613.144394 where: bonds (distance) C4'-P energy: -109.583 bonds (distance) P-C4' energy: -143.824 flat angles C4'-P-C4' energy: -156.269 flat angles P-C4'-P energy: -90.394 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: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1603.867980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.867980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.867980 (E_RNA) where: Base-Base interactions energy: -999.523 where: short stacking energy: -462.741 Base-Backbone interact. energy: -2.349 local terms energy: -601.995939 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -147.161 flat angles C4'-P-C4' energy: -132.386 flat angles P-C4'-P energy: -98.097 tors. eta vs tors. theta energy: -92.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1010.178751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.178751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.178751 (E_RNA) where: Base-Base interactions energy: -538.634 where: short stacking energy: -284.716 Base-Backbone interact. energy: 0.967 local terms energy: -472.511715 where: bonds (distance) C4'-P energy: -127.463 bonds (distance) P-C4' energy: -152.709 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -73.605 tors. eta vs tors. theta energy: 27.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3247.328846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.328846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.328846 (E_RNA) where: Base-Base interactions energy: -2265.765 where: short stacking energy: -974.352 Base-Backbone interact. energy: -7.453 local terms energy: -974.111186 where: bonds (distance) C4'-P energy: -172.535 bonds (distance) P-C4' energy: -164.790 flat angles C4'-P-C4' energy: -203.340 flat angles P-C4'-P energy: -144.285 tors. eta vs tors. theta energy: -289.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3102.915622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.915622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.915622 (E_RNA) where: Base-Base interactions energy: -2135.500 where: short stacking energy: -919.627 Base-Backbone interact. energy: -2.442 local terms energy: -964.973519 where: bonds (distance) C4'-P energy: -197.516 bonds (distance) P-C4' energy: -171.690 flat angles C4'-P-C4' energy: -201.406 flat angles P-C4'-P energy: -133.745 tors. eta vs tors. theta energy: -260.617 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: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -3018.094579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.094579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.094579 (E_RNA) where: Base-Base interactions energy: -2071.868 where: short stacking energy: -923.618 Base-Backbone interact. energy: -2.626 local terms energy: -943.600481 where: bonds (distance) C4'-P energy: -174.787 bonds (distance) P-C4' energy: -160.723 flat angles C4'-P-C4' energy: -204.697 flat angles P-C4'-P energy: -139.408 tors. eta vs tors. theta energy: -263.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2889.848523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.848523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.848523 (E_RNA) where: Base-Base interactions energy: -2023.357 where: short stacking energy: -864.281 Base-Backbone interact. energy: -2.309 local terms energy: -864.182920 where: bonds (distance) C4'-P energy: -149.543 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -192.778 flat angles P-C4'-P energy: -118.767 tors. eta vs tors. theta energy: -241.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2774.181473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.181473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.181473 (E_RNA) where: Base-Base interactions energy: -1912.221 where: short stacking energy: -845.685 Base-Backbone interact. energy: 0.575 local terms energy: -862.535662 where: bonds (distance) C4'-P energy: -166.884 bonds (distance) P-C4' energy: -153.601 flat angles C4'-P-C4' energy: -187.414 flat angles P-C4'-P energy: -124.485 tors. eta vs tors. theta energy: -230.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2466.665611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.665611 (E_RNA) where: Base-Base interactions energy: -1660.858 where: short stacking energy: -729.715 Base-Backbone interact. energy: -6.036 local terms energy: -799.771637 where: bonds (distance) C4'-P energy: -139.346 bonds (distance) P-C4' energy: -179.872 flat angles C4'-P-C4' energy: -184.779 flat angles P-C4'-P energy: -100.365 tors. eta vs tors. theta energy: -195.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1952.618773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.618773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.618773 (E_RNA) where: Base-Base interactions energy: -1291.257 where: short stacking energy: -568.558 Base-Backbone interact. energy: -0.458 local terms energy: -660.904270 where: bonds (distance) C4'-P energy: -141.123 bonds (distance) P-C4' energy: -149.592 flat angles C4'-P-C4' energy: -142.525 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -135.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1719.478944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.478944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.478944 (E_RNA) where: Base-Base interactions energy: -1109.963 where: short stacking energy: -561.466 Base-Backbone interact. energy: 8.006 local terms energy: -617.521804 where: bonds (distance) C4'-P energy: -145.972 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -143.964 flat angles P-C4'-P energy: -88.296 tors. eta vs tors. theta energy: -98.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1596.963523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.963523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.963523 (E_RNA) where: Base-Base interactions energy: -1013.790 where: short stacking energy: -468.445 Base-Backbone interact. energy: 1.290 local terms energy: -584.463103 where: bonds (distance) C4'-P energy: -121.083 bonds (distance) P-C4' energy: -158.334 flat angles C4'-P-C4' energy: -137.739 flat angles P-C4'-P energy: -99.166 tors. eta vs tors. theta energy: -68.141 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: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1044.951366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.951366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.951366 (E_RNA) where: Base-Base interactions energy: -582.023 where: short stacking energy: -282.879 Base-Backbone interact. energy: 0.020 local terms energy: -462.948845 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -139.494 flat angles C4'-P-C4' energy: -127.718 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3227.482909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.482909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.482909 (E_RNA) where: Base-Base interactions energy: -2234.380 where: short stacking energy: -966.673 Base-Backbone interact. energy: -9.869 local terms energy: -983.234075 where: bonds (distance) C4'-P energy: -186.436 bonds (distance) P-C4' energy: -176.673 flat angles C4'-P-C4' energy: -206.355 flat angles P-C4'-P energy: -129.791 tors. eta vs tors. theta energy: -283.979 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: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3105.224573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.224573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.224573 (E_RNA) where: Base-Base interactions energy: -2139.208 where: short stacking energy: -929.702 Base-Backbone interact. energy: -3.403 local terms energy: -962.612949 where: bonds (distance) C4'-P energy: -170.896 bonds (distance) P-C4' energy: -172.483 flat angles C4'-P-C4' energy: -212.972 flat angles P-C4'-P energy: -140.443 tors. eta vs tors. theta energy: -265.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2983.244316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.244316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.244316 (E_RNA) where: Base-Base interactions energy: -2046.208 where: short stacking energy: -880.039 Base-Backbone interact. energy: -4.490 local terms energy: -932.546753 where: bonds (distance) C4'-P energy: -175.685 bonds (distance) P-C4' energy: -152.916 flat angles C4'-P-C4' energy: -197.199 flat angles P-C4'-P energy: -144.169 tors. eta vs tors. theta energy: -262.578 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: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2878.339535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.339535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.339535 (E_RNA) where: Base-Base interactions energy: -1960.680 where: short stacking energy: -849.841 Base-Backbone interact. energy: -7.280 local terms energy: -910.379946 where: bonds (distance) C4'-P energy: -172.044 bonds (distance) P-C4' energy: -168.914 flat angles C4'-P-C4' energy: -203.651 flat angles P-C4'-P energy: -113.498 tors. eta vs tors. theta energy: -252.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2677.607381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.607381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.607381 (E_RNA) where: Base-Base interactions energy: -1883.475 where: short stacking energy: -775.464 Base-Backbone interact. energy: 3.623 local terms energy: -797.755484 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -155.863 flat angles C4'-P-C4' energy: -185.279 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -205.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2433.815767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.815767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.815767 (E_RNA) where: Base-Base interactions energy: -1665.728 where: short stacking energy: -692.557 Base-Backbone interact. energy: -4.625 local terms energy: -763.462621 where: bonds (distance) C4'-P energy: -172.419 bonds (distance) P-C4' energy: -149.702 flat angles C4'-P-C4' energy: -176.692 flat angles P-C4'-P energy: -103.295 tors. eta vs tors. theta energy: -161.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1938.918559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.918559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.918559 (E_RNA) where: Base-Base interactions energy: -1228.905 where: short stacking energy: -555.751 Base-Backbone interact. energy: 2.300 local terms energy: -712.314206 where: bonds (distance) C4'-P energy: -161.545 bonds (distance) P-C4' energy: -159.432 flat angles C4'-P-C4' energy: -156.173 flat angles P-C4'-P energy: -112.957 tors. eta vs tors. theta energy: -122.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1764.039559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.039559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.039559 (E_RNA) where: Base-Base interactions energy: -1126.791 where: short stacking energy: -523.895 Base-Backbone interact. energy: -0.016 local terms energy: -637.232085 where: bonds (distance) C4'-P energy: -135.072 bonds (distance) P-C4' energy: -144.154 flat angles C4'-P-C4' energy: -157.918 flat angles P-C4'-P energy: -100.837 tors. eta vs tors. theta energy: -99.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1594.308241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.308241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.308241 (E_RNA) where: Base-Base interactions energy: -1026.300 where: short stacking energy: -487.408 Base-Backbone interact. energy: 3.952 local terms energy: -571.960368 where: bonds (distance) C4'-P energy: -115.984 bonds (distance) P-C4' energy: -157.465 flat angles C4'-P-C4' energy: -144.418 flat angles P-C4'-P energy: -76.625 tors. eta vs tors. theta energy: -77.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1099.020832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.020832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.020832 (E_RNA) where: Base-Base interactions energy: -591.813 where: short stacking energy: -322.175 Base-Backbone interact. energy: 4.729 local terms energy: -511.936794 where: bonds (distance) C4'-P energy: -129.403 bonds (distance) P-C4' energy: -164.623 flat angles C4'-P-C4' energy: -115.202 flat angles P-C4'-P energy: -84.061 tors. eta vs tors. theta energy: -18.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3234.360536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.360536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.360536 (E_RNA) where: Base-Base interactions energy: -2232.106 where: short stacking energy: -965.842 Base-Backbone interact. energy: -7.978 local terms energy: -994.276661 where: bonds (distance) C4'-P energy: -183.018 bonds (distance) P-C4' energy: -194.615 flat angles C4'-P-C4' energy: -209.092 flat angles P-C4'-P energy: -124.400 tors. eta vs tors. theta energy: -283.150 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: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3151.420881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.420881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.420881 (E_RNA) where: Base-Base interactions energy: -2186.431 where: short stacking energy: -966.927 Base-Backbone interact. energy: -2.533 local terms energy: -962.456747 where: bonds (distance) C4'-P energy: -171.519 bonds (distance) P-C4' energy: -190.520 flat angles C4'-P-C4' energy: -205.058 flat angles P-C4'-P energy: -127.288 tors. eta vs tors. theta energy: -268.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -3032.721597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.721597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.721597 (E_RNA) where: Base-Base interactions energy: -2097.008 where: short stacking energy: -887.107 Base-Backbone interact. energy: -9.183 local terms energy: -926.530878 where: bonds (distance) C4'-P energy: -173.024 bonds (distance) P-C4' energy: -179.572 flat angles C4'-P-C4' energy: -201.106 flat angles P-C4'-P energy: -132.349 tors. eta vs tors. theta energy: -240.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2876.597179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.597179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.597179 (E_RNA) where: Base-Base interactions energy: -1964.081 where: short stacking energy: -839.124 Base-Backbone interact. energy: -4.801 local terms energy: -907.715248 where: bonds (distance) C4'-P energy: -173.772 bonds (distance) P-C4' energy: -168.013 flat angles C4'-P-C4' energy: -195.637 flat angles P-C4'-P energy: -130.466 tors. eta vs tors. theta energy: -239.827 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: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2702.069052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.069052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.069052 (E_RNA) where: Base-Base interactions energy: -1845.899 where: short stacking energy: -815.207 Base-Backbone interact. energy: -3.886 local terms energy: -852.284356 where: bonds (distance) C4'-P energy: -164.156 bonds (distance) P-C4' energy: -164.828 flat angles C4'-P-C4' energy: -184.408 flat angles P-C4'-P energy: -124.357 tors. eta vs tors. theta energy: -214.537 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2431.044644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.044644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.044644 (E_RNA) where: Base-Base interactions energy: -1642.685 where: short stacking energy: -704.233 Base-Backbone interact. energy: -3.719 local terms energy: -784.640837 where: bonds (distance) C4'-P energy: -163.712 bonds (distance) P-C4' energy: -168.986 flat angles C4'-P-C4' energy: -161.920 flat angles P-C4'-P energy: -119.599 tors. eta vs tors. theta energy: -170.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1892.569827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.569827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.569827 (E_RNA) where: Base-Base interactions energy: -1229.362 where: short stacking energy: -539.262 Base-Backbone interact. energy: -1.653 local terms energy: -661.555475 where: bonds (distance) C4'-P energy: -146.889 bonds (distance) P-C4' energy: -142.994 flat angles C4'-P-C4' energy: -170.306 flat angles P-C4'-P energy: -85.022 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: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1787.071267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.071267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.071267 (E_RNA) where: Base-Base interactions energy: -1152.296 where: short stacking energy: -537.509 Base-Backbone interact. energy: -0.433 local terms energy: -634.342233 where: bonds (distance) C4'-P energy: -151.768 bonds (distance) P-C4' energy: -147.954 flat angles C4'-P-C4' energy: -155.761 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -97.224 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: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1576.125518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.125518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.125518 (E_RNA) where: Base-Base interactions energy: -979.499 where: short stacking energy: -470.106 Base-Backbone interact. energy: 1.048 local terms energy: -597.674363 where: bonds (distance) C4'-P energy: -136.574 bonds (distance) P-C4' energy: -161.996 flat angles C4'-P-C4' energy: -138.612 flat angles P-C4'-P energy: -97.068 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: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1021.776214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.776214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.776214 (E_RNA) where: Base-Base interactions energy: -531.839 where: short stacking energy: -280.013 Base-Backbone interact. energy: 8.186 local terms energy: -498.123170 where: bonds (distance) C4'-P energy: -151.302 bonds (distance) P-C4' energy: -159.384 flat angles C4'-P-C4' energy: -115.386 flat angles P-C4'-P energy: -76.979 tors. eta vs tors. theta energy: 4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3252.078804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.078804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.078804 (E_RNA) where: Base-Base interactions energy: -2276.294 where: short stacking energy: -974.343 Base-Backbone interact. energy: 0.371 local terms energy: -976.155879 where: bonds (distance) C4'-P energy: -186.365 bonds (distance) P-C4' energy: -178.501 flat angles C4'-P-C4' energy: -204.961 flat angles P-C4'-P energy: -131.014 tors. eta vs tors. theta energy: -275.315 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: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3118.448512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.448512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.448512 (E_RNA) where: Base-Base interactions energy: -2147.018 where: short stacking energy: -935.025 Base-Backbone interact. energy: -4.767 local terms energy: -966.663358 where: bonds (distance) C4'-P energy: -182.926 bonds (distance) P-C4' energy: -171.136 flat angles C4'-P-C4' energy: -211.352 flat angles P-C4'-P energy: -133.143 tors. eta vs tors. theta energy: -268.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -3017.301429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.301429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.301429 (E_RNA) where: Base-Base interactions energy: -2097.664 where: short stacking energy: -891.197 Base-Backbone interact. energy: -1.078 local terms energy: -918.559642 where: bonds (distance) C4'-P energy: -168.254 bonds (distance) P-C4' energy: -160.842 flat angles C4'-P-C4' energy: -203.907 flat angles P-C4'-P energy: -129.963 tors. eta vs tors. theta energy: -255.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2880.235421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.235421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.235421 (E_RNA) where: Base-Base interactions energy: -1977.053 where: short stacking energy: -846.273 Base-Backbone interact. energy: -0.271 local terms energy: -902.911037 where: bonds (distance) C4'-P energy: -164.435 bonds (distance) P-C4' energy: -177.805 flat angles C4'-P-C4' energy: -192.316 flat angles P-C4'-P energy: -122.395 tors. eta vs tors. theta energy: -245.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2697.521282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.521282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.521282 (E_RNA) where: Base-Base interactions energy: -1842.277 where: short stacking energy: -791.029 Base-Backbone interact. energy: -3.977 local terms energy: -851.267864 where: bonds (distance) C4'-P energy: -160.054 bonds (distance) P-C4' energy: -161.114 flat angles C4'-P-C4' energy: -182.472 flat angles P-C4'-P energy: -122.392 tors. eta vs tors. theta energy: -225.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2452.435130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.435130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.435130 (E_RNA) where: Base-Base interactions energy: -1687.517 where: short stacking energy: -722.642 Base-Backbone interact. energy: 3.104 local terms energy: -768.021737 where: bonds (distance) C4'-P energy: -177.845 bonds (distance) P-C4' energy: -162.168 flat angles C4'-P-C4' energy: -157.840 flat angles P-C4'-P energy: -104.357 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: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1950.828896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.828896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.828896 (E_RNA) where: Base-Base interactions energy: -1267.723 where: short stacking energy: -589.989 Base-Backbone interact. energy: 6.919 local terms energy: -690.025145 where: bonds (distance) C4'-P energy: -160.512 bonds (distance) P-C4' energy: -162.121 flat angles C4'-P-C4' energy: -154.839 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: -130.871 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: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1745.087477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.087477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.087477 (E_RNA) where: Base-Base interactions energy: -1126.246 where: short stacking energy: -510.663 Base-Backbone interact. energy: -3.585 local terms energy: -615.255771 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -150.427 flat angles C4'-P-C4' energy: -136.026 flat angles P-C4'-P energy: -98.453 tors. eta vs tors. theta energy: -86.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1603.717078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.717078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.717078 (E_RNA) where: Base-Base interactions energy: -989.471 where: short stacking energy: -464.883 Base-Backbone interact. energy: -0.233 local terms energy: -614.013506 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -156.926 flat angles C4'-P-C4' energy: -163.008 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -65.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1094.527830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.527830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.527830 (E_RNA) where: Base-Base interactions energy: -570.851 where: short stacking energy: -315.182 Base-Backbone interact. energy: -3.885 local terms energy: -519.791305 where: bonds (distance) C4'-P energy: -135.495 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -138.213 flat angles P-C4'-P energy: -84.812 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3197.642990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.642990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.642990 (E_RNA) where: Base-Base interactions energy: -2182.556 where: short stacking energy: -962.230 Base-Backbone interact. energy: -7.462 local terms energy: -1007.624564 where: bonds (distance) C4'-P energy: -184.592 bonds (distance) P-C4' energy: -186.594 flat angles C4'-P-C4' energy: -219.086 flat angles P-C4'-P energy: -135.228 tors. eta vs tors. theta energy: -282.124 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: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3125.494884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.494884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.494884 (E_RNA) where: Base-Base interactions energy: -2147.483 where: short stacking energy: -947.245 Base-Backbone interact. energy: -3.873 local terms energy: -974.139499 where: bonds (distance) C4'-P energy: -173.158 bonds (distance) P-C4' energy: -178.249 flat angles C4'-P-C4' energy: -202.155 flat angles P-C4'-P energy: -141.509 tors. eta vs tors. theta energy: -279.069 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: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2990.795165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.795165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.795165 (E_RNA) where: Base-Base interactions energy: -2068.212 where: short stacking energy: -868.044 Base-Backbone interact. energy: -6.793 local terms energy: -915.790140 where: bonds (distance) C4'-P energy: -158.127 bonds (distance) P-C4' energy: -187.447 flat angles C4'-P-C4' energy: -184.454 flat angles P-C4'-P energy: -140.076 tors. eta vs tors. theta energy: -245.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2917.770877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.770877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.770877 (E_RNA) where: Base-Base interactions energy: -1999.546 where: short stacking energy: -864.341 Base-Backbone interact. energy: 1.603 local terms energy: -919.828220 where: bonds (distance) C4'-P energy: -179.654 bonds (distance) P-C4' energy: -176.793 flat angles C4'-P-C4' energy: -194.703 flat angles P-C4'-P energy: -122.750 tors. eta vs tors. theta energy: -245.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2687.805389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.805389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.805389 (E_RNA) where: Base-Base interactions energy: -1865.360 where: short stacking energy: -809.368 Base-Backbone interact. energy: -6.475 local terms energy: -815.970581 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -177.756 flat angles C4'-P-C4' energy: -180.819 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -221.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2372.323288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.323288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.323288 (E_RNA) where: Base-Base interactions energy: -1610.212 where: short stacking energy: -718.595 Base-Backbone interact. energy: 0.229 local terms energy: -762.340681 where: bonds (distance) C4'-P energy: -160.696 bonds (distance) P-C4' energy: -148.786 flat angles C4'-P-C4' energy: -175.009 flat angles P-C4'-P energy: -103.714 tors. eta vs tors. theta energy: -174.136 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: 407 Temperature: 1.200000 Total energy: -1965.849682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.849682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.849682 (E_RNA) where: Base-Base interactions energy: -1289.665 where: short stacking energy: -573.109 Base-Backbone interact. energy: -2.306 local terms energy: -673.878813 where: bonds (distance) C4'-P energy: -154.857 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -170.595 flat angles P-C4'-P energy: -106.877 tors. eta vs tors. theta energy: -104.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1790.526848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.526848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.526848 (E_RNA) where: Base-Base interactions energy: -1119.227 where: short stacking energy: -508.681 Base-Backbone interact. energy: 2.183 local terms energy: -673.483308 where: bonds (distance) C4'-P energy: -154.201 bonds (distance) P-C4' energy: -164.651 flat angles C4'-P-C4' energy: -167.647 flat angles P-C4'-P energy: -95.547 tors. eta vs tors. theta energy: -91.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1604.028770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.028770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.028770 (E_RNA) where: Base-Base interactions energy: -998.878 where: short stacking energy: -474.286 Base-Backbone interact. energy: 4.201 local terms energy: -609.351697 where: bonds (distance) C4'-P energy: -150.612 bonds (distance) P-C4' energy: -149.054 flat angles C4'-P-C4' energy: -146.376 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -76.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1021.292239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.292239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.292239 (E_RNA) where: Base-Base interactions energy: -542.546 where: short stacking energy: -289.859 Base-Backbone interact. energy: -3.686 local terms energy: -475.060666 where: bonds (distance) C4'-P energy: -126.142 bonds (distance) P-C4' energy: -138.104 flat angles C4'-P-C4' energy: -132.913 flat angles P-C4'-P energy: -82.747 tors. eta vs tors. theta energy: 4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3209.356302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.356302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.356302 (E_RNA) where: Base-Base interactions energy: -2235.798 where: short stacking energy: -953.455 Base-Backbone interact. energy: -6.819 local terms energy: -966.739678 where: bonds (distance) C4'-P energy: -176.081 bonds (distance) P-C4' energy: -182.619 flat angles C4'-P-C4' energy: -189.028 flat angles P-C4'-P energy: -139.838 tors. eta vs tors. theta energy: -279.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3162.364040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.364040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.364040 (E_RNA) where: Base-Base interactions energy: -2186.743 where: short stacking energy: -981.100 Base-Backbone interact. energy: -4.284 local terms energy: -971.337658 where: bonds (distance) C4'-P energy: -174.889 bonds (distance) P-C4' energy: -180.853 flat angles C4'-P-C4' energy: -198.915 flat angles P-C4'-P energy: -125.737 tors. eta vs tors. theta energy: -290.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2989.997387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.997387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.997387 (E_RNA) where: Base-Base interactions energy: -2064.505 where: short stacking energy: -872.363 Base-Backbone interact. energy: -3.154 local terms energy: -922.337668 where: bonds (distance) C4'-P energy: -163.333 bonds (distance) P-C4' energy: -173.874 flat angles C4'-P-C4' energy: -191.734 flat angles P-C4'-P energy: -146.975 tors. eta vs tors. theta energy: -246.421 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: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2901.435036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.435036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.435036 (E_RNA) where: Base-Base interactions energy: -2007.201 where: short stacking energy: -878.497 Base-Backbone interact. energy: -4.515 local terms energy: -889.719199 where: bonds (distance) C4'-P energy: -165.606 bonds (distance) P-C4' energy: -182.328 flat angles C4'-P-C4' energy: -193.763 flat angles P-C4'-P energy: -118.007 tors. eta vs tors. theta energy: -230.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2749.560609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.560609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.560609 (E_RNA) where: Base-Base interactions energy: -1904.269 where: short stacking energy: -808.784 Base-Backbone interact. energy: 1.299 local terms energy: -846.590943 where: bonds (distance) C4'-P energy: -154.311 bonds (distance) P-C4' energy: -162.063 flat angles C4'-P-C4' energy: -189.638 flat angles P-C4'-P energy: -122.901 tors. eta vs tors. theta energy: -217.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2495.513878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.513878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.513878 (E_RNA) where: Base-Base interactions energy: -1685.567 where: short stacking energy: -761.407 Base-Backbone interact. energy: 3.194 local terms energy: -813.140185 where: bonds (distance) C4'-P energy: -164.820 bonds (distance) P-C4' energy: -148.370 flat angles C4'-P-C4' energy: -192.291 flat angles P-C4'-P energy: -101.094 tors. eta vs tors. theta energy: -206.565 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: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1969.952353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.952353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.952353 (E_RNA) where: Base-Base interactions energy: -1260.836 where: short stacking energy: -574.735 Base-Backbone interact. energy: -3.770 local terms energy: -705.345772 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -151.949 flat angles C4'-P-C4' energy: -155.256 flat angles P-C4'-P energy: -102.009 tors. eta vs tors. theta energy: -138.440 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: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1754.273847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.273847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.273847 (E_RNA) where: Base-Base interactions energy: -1102.568 where: short stacking energy: -525.381 Base-Backbone interact. energy: -3.986 local terms energy: -647.719202 where: bonds (distance) C4'-P energy: -171.400 bonds (distance) P-C4' energy: -140.968 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -87.441 tors. eta vs tors. theta energy: -94.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1667.565377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.565377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.565377 (E_RNA) where: Base-Base interactions energy: -1006.687 where: short stacking energy: -469.753 Base-Backbone interact. energy: -1.208 local terms energy: -659.670501 where: bonds (distance) C4'-P energy: -149.257 bonds (distance) P-C4' energy: -162.971 flat angles C4'-P-C4' energy: -159.349 flat angles P-C4'-P energy: -107.226 tors. eta vs tors. theta energy: -80.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1012.045196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.045196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.045196 (E_RNA) where: Base-Base interactions energy: -588.534 where: short stacking energy: -307.950 Base-Backbone interact. energy: 5.829 local terms energy: -429.339958 where: bonds (distance) C4'-P energy: -109.220 bonds (distance) P-C4' energy: -139.802 flat angles C4'-P-C4' energy: -130.721 flat angles P-C4'-P energy: -54.128 tors. eta vs tors. theta energy: 4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3218.097504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.097504 (E_RNA) where: Base-Base interactions energy: -2216.266 where: short stacking energy: -947.985 Base-Backbone interact. energy: -6.524 local terms energy: -995.306779 where: bonds (distance) C4'-P energy: -186.964 bonds (distance) P-C4' energy: -191.058 flat angles C4'-P-C4' energy: -212.152 flat angles P-C4'-P energy: -127.562 tors. eta vs tors. theta energy: -277.570 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3171.547426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.547426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.547426 (E_RNA) where: Base-Base interactions energy: -2184.319 where: short stacking energy: -977.673 Base-Backbone interact. energy: -3.906 local terms energy: -983.322612 where: bonds (distance) C4'-P energy: -177.170 bonds (distance) P-C4' energy: -181.985 flat angles C4'-P-C4' energy: -208.784 flat angles P-C4'-P energy: -128.857 tors. eta vs tors. theta energy: -286.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -3019.420042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.420042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.420042 (E_RNA) where: Base-Base interactions energy: -2066.200 where: short stacking energy: -879.934 Base-Backbone interact. energy: -5.774 local terms energy: -947.445966 where: bonds (distance) C4'-P energy: -177.316 bonds (distance) P-C4' energy: -172.105 flat angles C4'-P-C4' energy: -199.099 flat angles P-C4'-P energy: -136.161 tors. eta vs tors. theta energy: -262.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2850.940010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.940010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.940010 (E_RNA) where: Base-Base interactions energy: -1962.412 where: short stacking energy: -855.431 Base-Backbone interact. energy: -3.796 local terms energy: -884.732176 where: bonds (distance) C4'-P energy: -156.479 bonds (distance) P-C4' energy: -151.950 flat angles C4'-P-C4' energy: -205.580 flat angles P-C4'-P energy: -119.694 tors. eta vs tors. theta energy: -251.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2774.222026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.222026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.222026 (E_RNA) where: Base-Base interactions energy: -1876.534 where: short stacking energy: -819.955 Base-Backbone interact. energy: -1.125 local terms energy: -896.563581 where: bonds (distance) C4'-P energy: -163.138 bonds (distance) P-C4' energy: -162.886 flat angles C4'-P-C4' energy: -187.448 flat angles P-C4'-P energy: -139.882 tors. eta vs tors. theta energy: -243.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2508.578820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.578820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.578820 (E_RNA) where: Base-Base interactions energy: -1685.889 where: short stacking energy: -727.409 Base-Backbone interact. energy: -4.517 local terms energy: -818.172155 where: bonds (distance) C4'-P energy: -144.032 bonds (distance) P-C4' energy: -161.444 flat angles C4'-P-C4' energy: -190.979 flat angles P-C4'-P energy: -129.221 tors. eta vs tors. theta energy: -192.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2000.299491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.299491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.299491 (E_RNA) where: Base-Base interactions energy: -1298.096 where: short stacking energy: -611.858 Base-Backbone interact. energy: 0.846 local terms energy: -703.049804 where: bonds (distance) C4'-P energy: -159.371 bonds (distance) P-C4' energy: -161.853 flat angles C4'-P-C4' energy: -155.461 flat angles P-C4'-P energy: -107.294 tors. eta vs tors. theta energy: -119.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1773.797156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.797156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.797156 (E_RNA) where: Base-Base interactions energy: -1150.669 where: short stacking energy: -532.005 Base-Backbone interact. energy: -8.679 local terms energy: -614.449210 where: bonds (distance) C4'-P energy: -147.648 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -164.393 flat angles P-C4'-P energy: -73.130 tors. eta vs tors. theta energy: -97.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1637.841848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.841848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.841848 (E_RNA) where: Base-Base interactions energy: -1048.857 where: short stacking energy: -467.371 Base-Backbone interact. energy: -3.227 local terms energy: -585.757665 where: bonds (distance) C4'-P energy: -127.593 bonds (distance) P-C4' energy: -153.353 flat angles C4'-P-C4' energy: -140.421 flat angles P-C4'-P energy: -72.569 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: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -997.585233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.585233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.585233 (E_RNA) where: Base-Base interactions energy: -534.987 where: short stacking energy: -271.172 Base-Backbone interact. energy: -2.663 local terms energy: -459.936038 where: bonds (distance) C4'-P energy: -134.874 bonds (distance) P-C4' energy: -122.936 flat angles C4'-P-C4' energy: -115.481 flat angles P-C4'-P energy: -101.087 tors. eta vs tors. theta energy: 14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3218.407371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.407371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.407371 (E_RNA) where: Base-Base interactions energy: -2199.029 where: short stacking energy: -957.985 Base-Backbone interact. energy: -6.835 local terms energy: -1012.543843 where: bonds (distance) C4'-P energy: -189.634 bonds (distance) P-C4' energy: -186.744 flat angles C4'-P-C4' energy: -218.805 flat angles P-C4'-P energy: -132.608 tors. eta vs tors. theta energy: -284.753 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: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3105.787024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.787024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.787024 (E_RNA) where: Base-Base interactions energy: -2107.537 where: short stacking energy: -949.858 Base-Backbone interact. energy: -5.580 local terms energy: -992.670471 where: bonds (distance) C4'-P energy: -185.165 bonds (distance) P-C4' energy: -188.086 flat angles C4'-P-C4' energy: -208.142 flat angles P-C4'-P energy: -134.458 tors. eta vs tors. theta energy: -276.819 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: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -3007.288312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.288312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.288312 (E_RNA) where: Base-Base interactions energy: -2079.555 where: short stacking energy: -895.287 Base-Backbone interact. energy: -8.597 local terms energy: -919.136357 where: bonds (distance) C4'-P energy: -153.684 bonds (distance) P-C4' energy: -180.554 flat angles C4'-P-C4' energy: -200.287 flat angles P-C4'-P energy: -133.545 tors. eta vs tors. theta energy: -251.066 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: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2861.899442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.899442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.899442 (E_RNA) where: Base-Base interactions energy: -1963.562 where: short stacking energy: -871.158 Base-Backbone interact. energy: -1.863 local terms energy: -896.474361 where: bonds (distance) C4'-P energy: -162.887 bonds (distance) P-C4' energy: -168.679 flat angles C4'-P-C4' energy: -184.726 flat angles P-C4'-P energy: -131.981 tors. eta vs tors. theta energy: -248.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2726.077964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.077964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.077964 (E_RNA) where: Base-Base interactions energy: -1860.365 where: short stacking energy: -805.514 Base-Backbone interact. energy: -2.147 local terms energy: -863.565467 where: bonds (distance) C4'-P energy: -154.611 bonds (distance) P-C4' energy: -158.965 flat angles C4'-P-C4' energy: -188.986 flat angles P-C4'-P energy: -119.566 tors. eta vs tors. theta energy: -241.436 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: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2457.765074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.765074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.765074 (E_RNA) where: Base-Base interactions energy: -1660.092 where: short stacking energy: -716.091 Base-Backbone interact. energy: -1.166 local terms energy: -796.507254 where: bonds (distance) C4'-P energy: -144.312 bonds (distance) P-C4' energy: -178.781 flat angles C4'-P-C4' energy: -173.370 flat angles P-C4'-P energy: -110.600 tors. eta vs tors. theta energy: -189.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2004.371283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.371283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.371283 (E_RNA) where: Base-Base interactions energy: -1309.659 where: short stacking energy: -577.940 Base-Backbone interact. energy: -3.365 local terms energy: -691.347499 where: bonds (distance) C4'-P energy: -147.850 bonds (distance) P-C4' energy: -168.998 flat angles C4'-P-C4' energy: -173.120 flat angles P-C4'-P energy: -90.923 tors. eta vs tors. theta energy: -110.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1775.220979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.220979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.220979 (E_RNA) where: Base-Base interactions energy: -1152.287 where: short stacking energy: -522.804 Base-Backbone interact. energy: 2.908 local terms energy: -625.842103 where: bonds (distance) C4'-P energy: -139.452 bonds (distance) P-C4' energy: -152.014 flat angles C4'-P-C4' energy: -138.639 flat angles P-C4'-P energy: -86.416 tors. eta vs tors. theta energy: -109.322 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: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1510.650466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.650466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.650466 (E_RNA) where: Base-Base interactions energy: -969.332 where: short stacking energy: -446.674 Base-Backbone interact. energy: 2.322 local terms energy: -543.641094 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -130.909 flat angles C4'-P-C4' energy: -135.043 flat angles P-C4'-P energy: -69.891 tors. eta vs tors. theta energy: -68.063 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: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1069.413031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.413031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.413031 (E_RNA) where: Base-Base interactions energy: -597.014 where: short stacking energy: -315.191 Base-Backbone interact. energy: 0.317 local terms energy: -472.716380 where: bonds (distance) C4'-P energy: -134.592 bonds (distance) P-C4' energy: -129.279 flat angles C4'-P-C4' energy: -115.914 flat angles P-C4'-P energy: -91.178 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3205.248149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.248149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.248149 (E_RNA) where: Base-Base interactions energy: -2228.589 where: short stacking energy: -953.748 Base-Backbone interact. energy: -6.071 local terms energy: -970.588102 where: bonds (distance) C4'-P energy: -172.854 bonds (distance) P-C4' energy: -188.288 flat angles C4'-P-C4' energy: -200.932 flat angles P-C4'-P energy: -135.467 tors. eta vs tors. theta energy: -273.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3142.425013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.425013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.425013 (E_RNA) where: Base-Base interactions energy: -2131.550 where: short stacking energy: -948.508 Base-Backbone interact. energy: -5.070 local terms energy: -1005.804755 where: bonds (distance) C4'-P energy: -187.067 bonds (distance) P-C4' energy: -171.284 flat angles C4'-P-C4' energy: -218.602 flat angles P-C4'-P energy: -143.756 tors. eta vs tors. theta energy: -285.096 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2994.633384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.633384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.633384 (E_RNA) where: Base-Base interactions energy: -2053.422 where: short stacking energy: -900.755 Base-Backbone interact. energy: -3.367 local terms energy: -937.844986 where: bonds (distance) C4'-P energy: -168.496 bonds (distance) P-C4' energy: -176.979 flat angles C4'-P-C4' energy: -201.319 flat angles P-C4'-P energy: -131.888 tors. eta vs tors. theta energy: -259.163 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2857.737422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.737422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.737422 (E_RNA) where: Base-Base interactions energy: -1951.470 where: short stacking energy: -856.362 Base-Backbone interact. energy: -4.188 local terms energy: -902.079046 where: bonds (distance) C4'-P energy: -164.346 bonds (distance) P-C4' energy: -163.328 flat angles C4'-P-C4' energy: -206.396 flat angles P-C4'-P energy: -122.926 tors. eta vs tors. theta energy: -245.083 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: 411 Temperature: 1.100000 Total energy: -2662.385552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.385552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.385552 (E_RNA) where: Base-Base interactions energy: -1827.632 where: short stacking energy: -775.147 Base-Backbone interact. energy: -2.216 local terms energy: -832.537399 where: bonds (distance) C4'-P energy: -146.634 bonds (distance) P-C4' energy: -185.271 flat angles C4'-P-C4' energy: -180.992 flat angles P-C4'-P energy: -121.677 tors. eta vs tors. theta energy: -197.963 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: 411 Temperature: 1.150000 Total energy: -2492.565891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.565891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.565891 (E_RNA) where: Base-Base interactions energy: -1676.532 where: short stacking energy: -738.086 Base-Backbone interact. energy: -2.742 local terms energy: -813.292436 where: bonds (distance) C4'-P energy: -163.104 bonds (distance) P-C4' energy: -159.112 flat angles C4'-P-C4' energy: -171.441 flat angles P-C4'-P energy: -125.593 tors. eta vs tors. theta energy: -194.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2061.510768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.510768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.510768 (E_RNA) where: Base-Base interactions energy: -1351.827 where: short stacking energy: -586.788 Base-Backbone interact. energy: -1.176 local terms energy: -708.507421 where: bonds (distance) C4'-P energy: -148.762 bonds (distance) P-C4' energy: -147.532 flat angles C4'-P-C4' energy: -183.141 flat angles P-C4'-P energy: -107.347 tors. eta vs tors. theta energy: -121.725 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: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1792.346565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.346565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.346565 (E_RNA) where: Base-Base interactions energy: -1132.637 where: short stacking energy: -526.743 Base-Backbone interact. energy: -3.631 local terms energy: -656.078161 where: bonds (distance) C4'-P energy: -162.751 bonds (distance) P-C4' energy: -148.759 flat angles C4'-P-C4' energy: -143.641 flat angles P-C4'-P energy: -95.986 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: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1491.384986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.384986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.384986 (E_RNA) where: Base-Base interactions energy: -901.634 where: short stacking energy: -405.863 Base-Backbone interact. energy: 2.282 local terms energy: -592.032722 where: bonds (distance) C4'-P energy: -133.479 bonds (distance) P-C4' energy: -151.920 flat angles C4'-P-C4' energy: -156.546 flat angles P-C4'-P energy: -98.439 tors. eta vs tors. theta energy: -51.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1073.783650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.783650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.783650 (E_RNA) where: Base-Base interactions energy: -605.633 where: short stacking energy: -314.205 Base-Backbone interact. energy: 2.147 local terms energy: -470.297489 where: bonds (distance) C4'-P energy: -148.243 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -103.433 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: 1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3207.340712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.340712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.340712 (E_RNA) where: Base-Base interactions energy: -2228.725 where: short stacking energy: -936.752 Base-Backbone interact. energy: -5.443 local terms energy: -973.172155 where: bonds (distance) C4'-P energy: -181.423 bonds (distance) P-C4' energy: -190.436 flat angles C4'-P-C4' energy: -198.339 flat angles P-C4'-P energy: -142.806 tors. eta vs tors. theta energy: -260.168 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: 1 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3126.218228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.218228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.218228 (E_RNA) where: Base-Base interactions energy: -2128.600 where: short stacking energy: -937.219 Base-Backbone interact. energy: -3.098 local terms energy: -994.520108 where: bonds (distance) C4'-P energy: -176.821 bonds (distance) P-C4' energy: -188.563 flat angles C4'-P-C4' energy: -207.637 flat angles P-C4'-P energy: -147.520 tors. eta vs tors. theta energy: -273.979 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: 412 Temperature: 1.000000 Total energy: -2978.885048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.885048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.885048 (E_RNA) where: Base-Base interactions energy: -2071.090 where: short stacking energy: -881.883 Base-Backbone interact. energy: -4.159 local terms energy: -903.635377 where: bonds (distance) C4'-P energy: -160.246 bonds (distance) P-C4' energy: -166.784 flat angles C4'-P-C4' energy: -199.522 flat angles P-C4'-P energy: -128.546 tors. eta vs tors. theta energy: -248.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2844.799415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.799415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.799415 (E_RNA) where: Base-Base interactions energy: -1952.992 where: short stacking energy: -879.361 Base-Backbone interact. energy: -0.028 local terms energy: -891.779255 where: bonds (distance) C4'-P energy: -175.854 bonds (distance) P-C4' energy: -166.493 flat angles C4'-P-C4' energy: -192.658 flat angles P-C4'-P energy: -108.192 tors. eta vs tors. theta energy: -248.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2647.424195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.424195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.424195 (E_RNA) where: Base-Base interactions energy: -1813.979 where: short stacking energy: -780.937 Base-Backbone interact. energy: -3.447 local terms energy: -829.997686 where: bonds (distance) C4'-P energy: -141.875 bonds (distance) P-C4' energy: -157.321 flat angles C4'-P-C4' energy: -193.979 flat angles P-C4'-P energy: -128.186 tors. eta vs tors. theta energy: -208.636 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2494.431585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.431585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.431585 (E_RNA) where: Base-Base interactions energy: -1707.270 where: short stacking energy: -727.032 Base-Backbone interact. energy: -5.179 local terms energy: -781.983155 where: bonds (distance) C4'-P energy: -156.409 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -185.164 flat angles P-C4'-P energy: -109.332 tors. eta vs tors. theta energy: -186.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1974.534993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.534993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.534993 (E_RNA) where: Base-Base interactions energy: -1281.812 where: short stacking energy: -562.687 Base-Backbone interact. energy: -3.664 local terms energy: -689.059551 where: bonds (distance) C4'-P energy: -155.758 bonds (distance) P-C4' energy: -156.263 flat angles C4'-P-C4' energy: -172.493 flat angles P-C4'-P energy: -103.187 tors. eta vs tors. theta energy: -101.359 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: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1739.934091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.934091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.934091 (E_RNA) where: Base-Base interactions energy: -1092.137 where: short stacking energy: -509.409 Base-Backbone interact. energy: 2.616 local terms energy: -650.413615 where: bonds (distance) C4'-P energy: -135.630 bonds (distance) P-C4' energy: -169.356 flat angles C4'-P-C4' energy: -173.034 flat angles P-C4'-P energy: -94.102 tors. eta vs tors. theta energy: -78.291 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: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1508.468303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.468303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.468303 (E_RNA) where: Base-Base interactions energy: -918.261 where: short stacking energy: -455.265 Base-Backbone interact. energy: 6.059 local terms energy: -596.266215 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -140.512 flat angles C4'-P-C4' energy: -160.066 flat angles P-C4'-P energy: -86.038 tors. eta vs tors. theta energy: -54.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1058.208304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.208304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.208304 (E_RNA) where: Base-Base interactions energy: -557.831 where: short stacking energy: -308.174 Base-Backbone interact. energy: -0.288 local terms energy: -500.088937 where: bonds (distance) C4'-P energy: -134.830 bonds (distance) P-C4' energy: -147.875 flat angles C4'-P-C4' energy: -131.110 flat angles P-C4'-P energy: -88.107 tors. eta vs tors. theta energy: 1.833 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: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3191.130918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.130918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.130918 (E_RNA) where: Base-Base interactions energy: -2221.405 where: short stacking energy: -963.678 Base-Backbone interact. energy: -3.265 local terms energy: -966.461235 where: bonds (distance) C4'-P energy: -183.121 bonds (distance) P-C4' energy: -181.533 flat angles C4'-P-C4' energy: -203.359 flat angles P-C4'-P energy: -125.242 tors. eta vs tors. theta energy: -273.206 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: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3135.320876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.320876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.320876 (E_RNA) where: Base-Base interactions energy: -2144.965 where: short stacking energy: -952.089 Base-Backbone interact. energy: -0.792 local terms energy: -989.564121 where: bonds (distance) C4'-P energy: -183.784 bonds (distance) P-C4' energy: -187.747 flat angles C4'-P-C4' energy: -206.630 flat angles P-C4'-P energy: -125.624 tors. eta vs tors. theta energy: -285.779 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: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2996.567626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.567626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.567626 (E_RNA) where: Base-Base interactions energy: -2083.718 where: short stacking energy: -899.827 Base-Backbone interact. energy: -3.135 local terms energy: -909.715417 where: bonds (distance) C4'-P energy: -150.974 bonds (distance) P-C4' energy: -201.344 flat angles C4'-P-C4' energy: -191.594 flat angles P-C4'-P energy: -115.242 tors. eta vs tors. theta energy: -250.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2812.480654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.480654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.480654 (E_RNA) where: Base-Base interactions energy: -1953.014 where: short stacking energy: -860.042 Base-Backbone interact. energy: -0.991 local terms energy: -858.475132 where: bonds (distance) C4'-P energy: -151.827 bonds (distance) P-C4' energy: -156.341 flat angles C4'-P-C4' energy: -192.964 flat angles P-C4'-P energy: -128.445 tors. eta vs tors. theta energy: -228.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2661.484062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.484062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.484062 (E_RNA) where: Base-Base interactions energy: -1861.328 where: short stacking energy: -805.182 Base-Backbone interact. energy: -5.166 local terms energy: -794.990115 where: bonds (distance) C4'-P energy: -145.048 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -179.211 flat angles P-C4'-P energy: -104.373 tors. eta vs tors. theta energy: -212.621 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: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2426.798085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.798085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.798085 (E_RNA) where: Base-Base interactions energy: -1605.321 where: short stacking energy: -707.103 Base-Backbone interact. energy: -0.016 local terms energy: -821.460335 where: bonds (distance) C4'-P energy: -161.784 bonds (distance) P-C4' energy: -160.692 flat angles C4'-P-C4' energy: -187.147 flat angles P-C4'-P energy: -124.342 tors. eta vs tors. theta energy: -187.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1996.908815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.908815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.908815 (E_RNA) where: Base-Base interactions energy: -1262.728 where: short stacking energy: -572.275 Base-Backbone interact. energy: 5.333 local terms energy: -739.513834 where: bonds (distance) C4'-P energy: -166.432 bonds (distance) P-C4' energy: -180.423 flat angles C4'-P-C4' energy: -159.390 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -120.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1687.426628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.426628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.426628 (E_RNA) where: Base-Base interactions energy: -1060.740 where: short stacking energy: -479.370 Base-Backbone interact. energy: 3.003 local terms energy: -629.689646 where: bonds (distance) C4'-P energy: -146.628 bonds (distance) P-C4' energy: -153.131 flat angles C4'-P-C4' energy: -161.337 flat angles P-C4'-P energy: -93.938 tors. eta vs tors. theta energy: -74.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1556.283317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.283317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.283317 (E_RNA) where: Base-Base interactions energy: -987.623 where: short stacking energy: -442.647 Base-Backbone interact. energy: 0.883 local terms energy: -569.543128 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -128.724 flat angles C4'-P-C4' energy: -142.327 flat angles P-C4'-P energy: -77.558 tors. eta vs tors. theta energy: -66.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -969.604749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.604749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.604749 (E_RNA) where: Base-Base interactions energy: -485.447 where: short stacking energy: -279.887 Base-Backbone interact. energy: 1.120 local terms energy: -485.277211 where: bonds (distance) C4'-P energy: -143.680 bonds (distance) P-C4' energy: -136.209 flat angles C4'-P-C4' energy: -142.609 flat angles P-C4'-P energy: -79.465 tors. eta vs tors. theta energy: 16.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3199.022702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.022702 (E_RNA) where: Base-Base interactions energy: -2222.721 where: short stacking energy: -958.129 Base-Backbone interact. energy: -4.958 local terms energy: -971.343327 where: bonds (distance) C4'-P energy: -190.124 bonds (distance) P-C4' energy: -178.664 flat angles C4'-P-C4' energy: -197.319 flat angles P-C4'-P energy: -122.033 tors. eta vs tors. theta energy: -283.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3136.821778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.821778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.821778 (E_RNA) where: Base-Base interactions energy: -2173.615 where: short stacking energy: -940.366 Base-Backbone interact. energy: -4.495 local terms energy: -958.711500 where: bonds (distance) C4'-P energy: -159.129 bonds (distance) P-C4' energy: -177.977 flat angles C4'-P-C4' energy: -211.500 flat angles P-C4'-P energy: -133.242 tors. eta vs tors. theta energy: -276.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2950.143469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.143469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.143469 (E_RNA) where: Base-Base interactions energy: -2064.968 where: short stacking energy: -866.028 Base-Backbone interact. energy: -4.980 local terms energy: -880.195164 where: bonds (distance) C4'-P energy: -159.930 bonds (distance) P-C4' energy: -158.639 flat angles C4'-P-C4' energy: -173.338 flat angles P-C4'-P energy: -143.034 tors. eta vs tors. theta energy: -245.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2861.550670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.550670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.550670 (E_RNA) where: Base-Base interactions energy: -1973.531 where: short stacking energy: -830.954 Base-Backbone interact. energy: -0.845 local terms energy: -887.174742 where: bonds (distance) C4'-P energy: -159.580 bonds (distance) P-C4' energy: -183.897 flat angles C4'-P-C4' energy: -181.620 flat angles P-C4'-P energy: -118.548 tors. eta vs tors. theta energy: -243.530 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: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2751.832361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.832361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.832361 (E_RNA) where: Base-Base interactions energy: -1901.872 where: short stacking energy: -833.469 Base-Backbone interact. energy: -0.522 local terms energy: -849.438561 where: bonds (distance) C4'-P energy: -156.260 bonds (distance) P-C4' energy: -168.636 flat angles C4'-P-C4' energy: -194.813 flat angles P-C4'-P energy: -113.839 tors. eta vs tors. theta energy: -215.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2434.917051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.917051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.917051 (E_RNA) where: Base-Base interactions energy: -1643.954 where: short stacking energy: -703.075 Base-Backbone interact. energy: 0.295 local terms energy: -791.258193 where: bonds (distance) C4'-P energy: -150.549 bonds (distance) P-C4' energy: -182.017 flat angles C4'-P-C4' energy: -164.414 flat angles P-C4'-P energy: -119.172 tors. eta vs tors. theta energy: -175.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2001.080620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.080620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.080620 (E_RNA) where: Base-Base interactions energy: -1288.678 where: short stacking energy: -602.392 Base-Backbone interact. energy: 0.977 local terms energy: -713.378934 where: bonds (distance) C4'-P energy: -148.709 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -176.948 flat angles P-C4'-P energy: -91.887 tors. eta vs tors. theta energy: -145.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1691.190931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.190931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.190931 (E_RNA) where: Base-Base interactions energy: -1094.333 where: short stacking energy: -533.470 Base-Backbone interact. energy: 1.270 local terms energy: -598.127664 where: bonds (distance) C4'-P energy: -138.815 bonds (distance) P-C4' energy: -135.459 flat angles C4'-P-C4' energy: -148.804 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -103.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1566.466902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.466902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.466902 (E_RNA) where: Base-Base interactions energy: -1021.894 where: short stacking energy: -441.316 Base-Backbone interact. energy: 5.801 local terms energy: -550.374466 where: bonds (distance) C4'-P energy: -143.430 bonds (distance) P-C4' energy: -122.860 flat angles C4'-P-C4' energy: -154.695 flat angles P-C4'-P energy: -91.921 tors. eta vs tors. theta energy: -37.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -904.098797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.098797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.098797 (E_RNA) where: Base-Base interactions energy: -436.358 where: short stacking energy: -264.549 Base-Backbone interact. energy: 0.065 local terms energy: -467.805566 where: bonds (distance) C4'-P energy: -158.525 bonds (distance) P-C4' energy: -141.349 flat angles C4'-P-C4' energy: -112.252 flat angles P-C4'-P energy: -68.307 tors. eta vs tors. theta energy: 12.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3230.900598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.900598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.900598 (E_RNA) where: Base-Base interactions energy: -2230.523 where: short stacking energy: -968.442 Base-Backbone interact. energy: -7.807 local terms energy: -992.570903 where: bonds (distance) C4'-P energy: -191.595 bonds (distance) P-C4' energy: -180.286 flat angles C4'-P-C4' energy: -195.203 flat angles P-C4'-P energy: -139.226 tors. eta vs tors. theta energy: -286.261 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: 2, replica: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3107.967251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.967251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.967251 (E_RNA) where: Base-Base interactions energy: -2149.869 where: short stacking energy: -955.539 Base-Backbone interact. energy: -3.347 local terms energy: -954.750624 where: bonds (distance) C4'-P energy: -168.052 bonds (distance) P-C4' energy: -175.031 flat angles C4'-P-C4' energy: -192.417 flat angles P-C4'-P energy: -139.995 tors. eta vs tors. theta energy: -279.256 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: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2983.679996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.679996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.679996 (E_RNA) where: Base-Base interactions energy: -2063.629 where: short stacking energy: -888.141 Base-Backbone interact. energy: -4.040 local terms energy: -916.011070 where: bonds (distance) C4'-P energy: -178.707 bonds (distance) P-C4' energy: -162.193 flat angles C4'-P-C4' energy: -189.579 flat angles P-C4'-P energy: -133.652 tors. eta vs tors. theta energy: -251.881 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: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2953.167491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.167491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.167491 (E_RNA) where: Base-Base interactions energy: -2029.880 where: short stacking energy: -858.981 Base-Backbone interact. energy: -3.483 local terms energy: -919.804728 where: bonds (distance) C4'-P energy: -177.993 bonds (distance) P-C4' energy: -178.305 flat angles C4'-P-C4' energy: -194.490 flat angles P-C4'-P energy: -130.981 tors. eta vs tors. theta energy: -238.036 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: 415 Temperature: 1.100000 Total energy: -2733.164854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.164854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.164854 (E_RNA) where: Base-Base interactions energy: -1907.398 where: short stacking energy: -846.496 Base-Backbone interact. energy: -0.993 local terms energy: -824.773370 where: bonds (distance) C4'-P energy: -152.450 bonds (distance) P-C4' energy: -164.525 flat angles C4'-P-C4' energy: -178.156 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -218.819 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: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2383.258908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.258908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.258908 (E_RNA) where: Base-Base interactions energy: -1576.694 where: short stacking energy: -673.207 Base-Backbone interact. energy: -3.425 local terms energy: -803.140019 where: bonds (distance) C4'-P energy: -159.465 bonds (distance) P-C4' energy: -157.773 flat angles C4'-P-C4' energy: -192.229 flat angles P-C4'-P energy: -119.582 tors. eta vs tors. theta energy: -174.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1997.886548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.886548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.886548 (E_RNA) where: Base-Base interactions energy: -1304.764 where: short stacking energy: -598.979 Base-Backbone interact. energy: -1.930 local terms energy: -691.192632 where: bonds (distance) C4'-P energy: -141.682 bonds (distance) P-C4' energy: -155.402 flat angles C4'-P-C4' energy: -161.714 flat angles P-C4'-P energy: -89.798 tors. eta vs tors. theta energy: -142.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1630.877658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.877658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.877658 (E_RNA) where: Base-Base interactions energy: -1038.378 where: short stacking energy: -477.890 Base-Backbone interact. energy: 5.190 local terms energy: -597.690008 where: bonds (distance) C4'-P energy: -142.021 bonds (distance) P-C4' energy: -145.519 flat angles C4'-P-C4' energy: -151.562 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -61.850 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: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1521.691373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.691373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.691373 (E_RNA) where: Base-Base interactions energy: -948.979 where: short stacking energy: -481.674 Base-Backbone interact. energy: 0.351 local terms energy: -573.063730 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -151.658 flat angles C4'-P-C4' energy: -132.265 flat angles P-C4'-P energy: -91.996 tors. eta vs tors. theta energy: -64.707 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: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -874.994840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.994840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.994840 (E_RNA) where: Base-Base interactions energy: -425.418 where: short stacking energy: -290.271 Base-Backbone interact. energy: 3.228 local terms energy: -452.804257 where: bonds (distance) C4'-P energy: -142.670 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -112.530 flat angles P-C4'-P energy: -71.523 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3211.394523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.394523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.394523 (E_RNA) where: Base-Base interactions energy: -2209.515 where: short stacking energy: -957.670 Base-Backbone interact. energy: -6.240 local terms energy: -995.640015 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -193.700 flat angles C4'-P-C4' energy: -215.564 flat angles P-C4'-P energy: -137.182 tors. eta vs tors. theta energy: -277.915 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: 2, replica: 1 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3083.033271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.033271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.033271 (E_RNA) where: Base-Base interactions energy: -2133.410 where: short stacking energy: -907.619 Base-Backbone interact. energy: -2.638 local terms energy: -946.984768 where: bonds (distance) C4'-P energy: -161.252 bonds (distance) P-C4' energy: -172.535 flat angles C4'-P-C4' energy: -205.158 flat angles P-C4'-P energy: -134.448 tors. eta vs tors. theta energy: -273.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2971.740468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.740468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.740468 (E_RNA) where: Base-Base interactions energy: -2078.321 where: short stacking energy: -878.988 Base-Backbone interact. energy: 1.158 local terms energy: -894.577279 where: bonds (distance) C4'-P energy: -157.756 bonds (distance) P-C4' energy: -169.724 flat angles C4'-P-C4' energy: -188.313 flat angles P-C4'-P energy: -122.742 tors. eta vs tors. theta energy: -256.043 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: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2870.938841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.938841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.938841 (E_RNA) where: Base-Base interactions energy: -1994.328 where: short stacking energy: -866.087 Base-Backbone interact. energy: -5.147 local terms energy: -871.463773 where: bonds (distance) C4'-P energy: -158.802 bonds (distance) P-C4' energy: -149.195 flat angles C4'-P-C4' energy: -204.713 flat angles P-C4'-P energy: -120.206 tors. eta vs tors. theta energy: -238.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2677.390595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.390595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.390595 (E_RNA) where: Base-Base interactions energy: -1850.699 where: short stacking energy: -791.097 Base-Backbone interact. energy: -5.212 local terms energy: -821.479686 where: bonds (distance) C4'-P energy: -163.460 bonds (distance) P-C4' energy: -163.649 flat angles C4'-P-C4' energy: -177.361 flat angles P-C4'-P energy: -113.074 tors. eta vs tors. theta energy: -203.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2376.469683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.469683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.469683 (E_RNA) where: Base-Base interactions energy: -1623.870 where: short stacking energy: -717.399 Base-Backbone interact. energy: 1.185 local terms energy: -753.784353 where: bonds (distance) C4'-P energy: -144.640 bonds (distance) P-C4' energy: -163.823 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -100.212 tors. eta vs tors. theta energy: -182.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2035.795306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.795306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.795306 (E_RNA) where: Base-Base interactions energy: -1331.051 where: short stacking energy: -620.591 Base-Backbone interact. energy: 0.263 local terms energy: -705.007312 where: bonds (distance) C4'-P energy: -140.210 bonds (distance) P-C4' energy: -157.737 flat angles C4'-P-C4' energy: -177.476 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -122.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1480.636893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.636893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.636893 (E_RNA) where: Base-Base interactions energy: -865.347 where: short stacking energy: -414.882 Base-Backbone interact. energy: -4.278 local terms energy: -611.011717 where: bonds (distance) C4'-P energy: -156.621 bonds (distance) P-C4' energy: -160.641 flat angles C4'-P-C4' energy: -152.502 flat angles P-C4'-P energy: -78.661 tors. eta vs tors. theta energy: -62.586 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: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1371.346665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.346665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.346665 (E_RNA) where: Base-Base interactions energy: -784.196 where: short stacking energy: -404.964 Base-Backbone interact. energy: 2.559 local terms energy: -589.710032 where: bonds (distance) C4'-P energy: -159.139 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -155.998 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -46.594 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -901.549568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.549568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.549568 (E_RNA) where: Base-Base interactions energy: -440.215 where: short stacking energy: -274.805 Base-Backbone interact. energy: 1.154 local terms energy: -462.489330 where: bonds (distance) C4'-P energy: -139.023 bonds (distance) P-C4' energy: -144.869 flat angles C4'-P-C4' energy: -123.904 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -4.008 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: 417 Temperature: 0.900000 Total energy: -3208.297661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.297661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.297661 (E_RNA) where: Base-Base interactions energy: -2253.658 where: short stacking energy: -995.829 Base-Backbone interact. energy: -0.677 local terms energy: -953.963003 where: bonds (distance) C4'-P energy: -156.153 bonds (distance) P-C4' energy: -177.616 flat angles C4'-P-C4' energy: -197.730 flat angles P-C4'-P energy: -156.407 tors. eta vs tors. theta energy: -266.057 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: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3137.007043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.007043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.007043 (E_RNA) where: Base-Base interactions energy: -2148.944 where: short stacking energy: -954.162 Base-Backbone interact. energy: -1.908 local terms energy: -986.155186 where: bonds (distance) C4'-P energy: -180.390 bonds (distance) P-C4' energy: -185.224 flat angles C4'-P-C4' energy: -208.046 flat angles P-C4'-P energy: -127.957 tors. eta vs tors. theta energy: -284.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -3034.118430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.118430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.118430 (E_RNA) where: Base-Base interactions energy: -2107.614 where: short stacking energy: -915.345 Base-Backbone interact. energy: -2.556 local terms energy: -923.948479 where: bonds (distance) C4'-P energy: -155.121 bonds (distance) P-C4' energy: -172.736 flat angles C4'-P-C4' energy: -209.902 flat angles P-C4'-P energy: -123.536 tors. eta vs tors. theta energy: -262.653 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: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2820.030430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.030430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.030430 (E_RNA) where: Base-Base interactions energy: -1974.618 where: short stacking energy: -866.740 Base-Backbone interact. energy: -4.508 local terms energy: -840.904744 where: bonds (distance) C4'-P energy: -138.461 bonds (distance) P-C4' energy: -142.813 flat angles C4'-P-C4' energy: -193.787 flat angles P-C4'-P energy: -138.383 tors. eta vs tors. theta energy: -227.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2639.272521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.272521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.272521 (E_RNA) where: Base-Base interactions energy: -1826.660 where: short stacking energy: -800.443 Base-Backbone interact. energy: -5.213 local terms energy: -807.399659 where: bonds (distance) C4'-P energy: -165.060 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -186.747 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -202.355 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: 6, replica: 8 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2374.489964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.489964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.489964 (E_RNA) where: Base-Base interactions energy: -1614.929 where: short stacking energy: -717.254 Base-Backbone interact. energy: -2.367 local terms energy: -757.193575 where: bonds (distance) C4'-P energy: -174.912 bonds (distance) P-C4' energy: -134.648 flat angles C4'-P-C4' energy: -167.640 flat angles P-C4'-P energy: -97.867 tors. eta vs tors. theta energy: -182.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1978.529985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.529985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.529985 (E_RNA) where: Base-Base interactions energy: -1293.891 where: short stacking energy: -617.551 Base-Backbone interact. energy: -5.290 local terms energy: -679.349121 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -144.243 flat angles C4'-P-C4' energy: -142.129 flat angles P-C4'-P energy: -102.301 tors. eta vs tors. theta energy: -137.854 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: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1550.157556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.157556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.157556 (E_RNA) where: Base-Base interactions energy: -918.578 where: short stacking energy: -458.911 Base-Backbone interact. energy: -0.019 local terms energy: -631.560877 where: bonds (distance) C4'-P energy: -131.242 bonds (distance) P-C4' energy: -164.468 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -96.105 tors. eta vs tors. theta energy: -74.633 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: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1384.090162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.090162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.090162 (E_RNA) where: Base-Base interactions energy: -838.073 where: short stacking energy: -402.865 Base-Backbone interact. energy: -6.787 local terms energy: -539.230000 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -153.796 flat angles C4'-P-C4' energy: -120.833 flat angles P-C4'-P energy: -83.158 tors. eta vs tors. theta energy: -50.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -859.152065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.152065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.152065 (E_RNA) where: Base-Base interactions energy: -396.842 where: short stacking energy: -250.778 Base-Backbone interact. energy: -1.139 local terms energy: -461.170783 where: bonds (distance) C4'-P energy: -136.471 bonds (distance) P-C4' energy: -159.402 flat angles C4'-P-C4' energy: -140.290 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: 38.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3234.811952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.811952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.811952 (E_RNA) where: Base-Base interactions energy: -2264.363 where: short stacking energy: -972.449 Base-Backbone interact. energy: -5.290 local terms energy: -965.159119 where: bonds (distance) C4'-P energy: -184.195 bonds (distance) P-C4' energy: -173.974 flat angles C4'-P-C4' energy: -192.610 flat angles P-C4'-P energy: -142.828 tors. eta vs tors. theta energy: -271.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3137.633148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.633148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.633148 (E_RNA) where: Base-Base interactions energy: -2137.938 where: short stacking energy: -951.815 Base-Backbone interact. energy: -1.358 local terms energy: -998.337930 where: bonds (distance) C4'-P energy: -186.882 bonds (distance) P-C4' energy: -185.862 flat angles C4'-P-C4' energy: -205.816 flat angles P-C4'-P energy: -135.824 tors. eta vs tors. theta energy: -283.953 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: 418 Temperature: 1.000000 Total energy: -3023.821941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.821941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.821941 (E_RNA) where: Base-Base interactions energy: -2069.206 where: short stacking energy: -916.390 Base-Backbone interact. energy: -5.050 local terms energy: -949.565998 where: bonds (distance) C4'-P energy: -168.189 bonds (distance) P-C4' energy: -174.967 flat angles C4'-P-C4' energy: -208.167 flat angles P-C4'-P energy: -125.349 tors. eta vs tors. theta energy: -272.895 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: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2863.245337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.245337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.245337 (E_RNA) where: Base-Base interactions energy: -1963.798 where: short stacking energy: -870.145 Base-Backbone interact. energy: -6.334 local terms energy: -893.113114 where: bonds (distance) C4'-P energy: -171.536 bonds (distance) P-C4' energy: -169.025 flat angles C4'-P-C4' energy: -186.663 flat angles P-C4'-P energy: -134.880 tors. eta vs tors. theta energy: -231.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2676.624762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.624762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.624762 (E_RNA) where: Base-Base interactions energy: -1835.765 where: short stacking energy: -809.352 Base-Backbone interact. energy: -2.005 local terms energy: -838.854741 where: bonds (distance) C4'-P energy: -154.538 bonds (distance) P-C4' energy: -150.730 flat angles C4'-P-C4' energy: -196.866 flat angles P-C4'-P energy: -119.064 tors. eta vs tors. theta energy: -217.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2417.119345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.119345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.119345 (E_RNA) where: Base-Base interactions energy: -1667.373 where: short stacking energy: -701.638 Base-Backbone interact. energy: 2.256 local terms energy: -752.003137 where: bonds (distance) C4'-P energy: -138.548 bonds (distance) P-C4' energy: -144.082 flat angles C4'-P-C4' energy: -173.839 flat angles P-C4'-P energy: -114.580 tors. eta vs tors. theta energy: -180.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1981.011540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.011540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.011540 (E_RNA) where: Base-Base interactions energy: -1279.292 where: short stacking energy: -582.969 Base-Backbone interact. energy: -0.955 local terms energy: -700.764537 where: bonds (distance) C4'-P energy: -143.373 bonds (distance) P-C4' energy: -157.160 flat angles C4'-P-C4' energy: -161.784 flat angles P-C4'-P energy: -118.618 tors. eta vs tors. theta energy: -119.829 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: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1564.898954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.898954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.898954 (E_RNA) where: Base-Base interactions energy: -963.581 where: short stacking energy: -447.964 Base-Backbone interact. energy: 0.534 local terms energy: -601.851403 where: bonds (distance) C4'-P energy: -138.618 bonds (distance) P-C4' energy: -164.548 flat angles C4'-P-C4' energy: -152.949 flat angles P-C4'-P energy: -73.264 tors. eta vs tors. theta energy: -72.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1338.712117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.712117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.712117 (E_RNA) where: Base-Base interactions energy: -789.756 where: short stacking energy: -408.132 Base-Backbone interact. energy: -1.124 local terms energy: -547.831773 where: bonds (distance) C4'-P energy: -145.212 bonds (distance) P-C4' energy: -153.019 flat angles C4'-P-C4' energy: -137.774 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: -37.418 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: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -879.329702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.329702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.329702 (E_RNA) where: Base-Base interactions energy: -423.258 where: short stacking energy: -262.649 Base-Backbone interact. energy: 6.013 local terms energy: -462.084621 where: bonds (distance) C4'-P energy: -139.829 bonds (distance) P-C4' energy: -131.018 flat angles C4'-P-C4' energy: -134.505 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: 21.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3259.390902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.390902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.390902 (E_RNA) where: Base-Base interactions energy: -2296.207 where: short stacking energy: -952.442 Base-Backbone interact. energy: -3.805 local terms energy: -959.378209 where: bonds (distance) C4'-P energy: -169.872 bonds (distance) P-C4' energy: -164.239 flat angles C4'-P-C4' energy: -210.977 flat angles P-C4'-P energy: -133.990 tors. eta vs tors. theta energy: -280.301 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: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3153.079086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.079086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.079086 (E_RNA) where: Base-Base interactions energy: -2136.587 where: short stacking energy: -964.738 Base-Backbone interact. energy: -4.211 local terms energy: -1012.281110 where: bonds (distance) C4'-P energy: -181.326 bonds (distance) P-C4' energy: -183.396 flat angles C4'-P-C4' energy: -222.326 flat angles P-C4'-P energy: -143.182 tors. eta vs tors. theta energy: -282.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -3000.195618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.195618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.195618 (E_RNA) where: Base-Base interactions energy: -2048.028 where: short stacking energy: -902.222 Base-Backbone interact. energy: -2.523 local terms energy: -949.644893 where: bonds (distance) C4'-P energy: -180.766 bonds (distance) P-C4' energy: -176.769 flat angles C4'-P-C4' energy: -199.127 flat angles P-C4'-P energy: -132.135 tors. eta vs tors. theta energy: -260.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2862.489921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.489921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.489921 (E_RNA) where: Base-Base interactions energy: -2004.433 where: short stacking energy: -828.023 Base-Backbone interact. energy: -5.680 local terms energy: -852.376408 where: bonds (distance) C4'-P energy: -162.618 bonds (distance) P-C4' energy: -155.709 flat angles C4'-P-C4' energy: -197.948 flat angles P-C4'-P energy: -112.420 tors. eta vs tors. theta energy: -223.681 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: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2648.072353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.072353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.072353 (E_RNA) where: Base-Base interactions energy: -1789.693 where: short stacking energy: -798.219 Base-Backbone interact. energy: -7.227 local terms energy: -851.152535 where: bonds (distance) C4'-P energy: -168.418 bonds (distance) P-C4' energy: -166.799 flat angles C4'-P-C4' energy: -191.460 flat angles P-C4'-P energy: -113.109 tors. eta vs tors. theta energy: -211.367 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: 419 Temperature: 1.150000 Total energy: -2470.869213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.869213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.869213 (E_RNA) where: Base-Base interactions energy: -1659.227 where: short stacking energy: -704.906 Base-Backbone interact. energy: -5.815 local terms energy: -805.826467 where: bonds (distance) C4'-P energy: -161.993 bonds (distance) P-C4' energy: -162.734 flat angles C4'-P-C4' energy: -174.109 flat angles P-C4'-P energy: -128.035 tors. eta vs tors. theta energy: -178.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2030.761799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.761799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.761799 (E_RNA) where: Base-Base interactions energy: -1327.302 where: short stacking energy: -625.881 Base-Backbone interact. energy: -5.445 local terms energy: -698.014568 where: bonds (distance) C4'-P energy: -146.095 bonds (distance) P-C4' energy: -166.819 flat angles C4'-P-C4' energy: -138.729 flat angles P-C4'-P energy: -101.668 tors. eta vs tors. theta energy: -144.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1606.748347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.748347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.748347 (E_RNA) where: Base-Base interactions energy: -984.870 where: short stacking energy: -465.783 Base-Backbone interact. energy: -1.447 local terms energy: -620.431721 where: bonds (distance) C4'-P energy: -151.477 bonds (distance) P-C4' energy: -153.785 flat angles C4'-P-C4' energy: -135.983 flat angles P-C4'-P energy: -91.959 tors. eta vs tors. theta energy: -87.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1150.027044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.027044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.027044 (E_RNA) where: Base-Base interactions energy: -612.280 where: short stacking energy: -342.267 Base-Backbone interact. energy: -2.132 local terms energy: -535.614688 where: bonds (distance) C4'-P energy: -141.575 bonds (distance) P-C4' energy: -155.173 flat angles C4'-P-C4' energy: -112.999 flat angles P-C4'-P energy: -76.984 tors. eta vs tors. theta energy: -48.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -856.612340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.612340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.612340 (E_RNA) where: Base-Base interactions energy: -406.189 where: short stacking energy: -205.009 Base-Backbone interact. energy: -4.069 local terms energy: -446.354907 where: bonds (distance) C4'-P energy: -114.537 bonds (distance) P-C4' energy: -168.226 flat angles C4'-P-C4' energy: -124.179 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: 39.941 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: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3232.610433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.610433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.610433 (E_RNA) where: Base-Base interactions energy: -2252.701 where: short stacking energy: -977.157 Base-Backbone interact. energy: -6.074 local terms energy: -973.835718 where: bonds (distance) C4'-P energy: -165.399 bonds (distance) P-C4' energy: -188.582 flat angles C4'-P-C4' energy: -212.588 flat angles P-C4'-P energy: -130.600 tors. eta vs tors. theta energy: -276.667 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: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3134.366824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.366824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.366824 (E_RNA) where: Base-Base interactions energy: -2170.881 where: short stacking energy: -983.711 Base-Backbone interact. energy: 0.396 local terms energy: -963.882413 where: bonds (distance) C4'-P energy: -160.949 bonds (distance) P-C4' energy: -174.406 flat angles C4'-P-C4' energy: -207.453 flat angles P-C4'-P energy: -141.685 tors. eta vs tors. theta energy: -279.389 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: 420 Temperature: 1.000000 Total energy: -3009.629515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.629515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.629515 (E_RNA) where: Base-Base interactions energy: -2078.556 where: short stacking energy: -896.887 Base-Backbone interact. energy: -4.401 local terms energy: -926.671734 where: bonds (distance) C4'-P energy: -161.057 bonds (distance) P-C4' energy: -164.232 flat angles C4'-P-C4' energy: -205.826 flat angles P-C4'-P energy: -136.094 tors. eta vs tors. theta energy: -259.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2885.135597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.135597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.135597 (E_RNA) where: Base-Base interactions energy: -1990.101 where: short stacking energy: -825.931 Base-Backbone interact. energy: -2.416 local terms energy: -892.618203 where: bonds (distance) C4'-P energy: -148.586 bonds (distance) P-C4' energy: -170.838 flat angles C4'-P-C4' energy: -197.382 flat angles P-C4'-P energy: -138.858 tors. eta vs tors. theta energy: -236.955 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: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2661.223442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.223442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.223442 (E_RNA) where: Base-Base interactions energy: -1849.241 where: short stacking energy: -820.653 Base-Backbone interact. energy: -2.034 local terms energy: -809.948071 where: bonds (distance) C4'-P energy: -158.574 bonds (distance) P-C4' energy: -149.054 flat angles C4'-P-C4' energy: -179.880 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -213.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2469.039684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.039684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.039684 (E_RNA) where: Base-Base interactions energy: -1673.924 where: short stacking energy: -718.242 Base-Backbone interact. energy: 1.768 local terms energy: -796.884075 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -155.205 flat angles C4'-P-C4' energy: -185.441 flat angles P-C4'-P energy: -113.450 tors. eta vs tors. theta energy: -198.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2031.390545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.390545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.390545 (E_RNA) where: Base-Base interactions energy: -1317.623 where: short stacking energy: -582.019 Base-Backbone interact. energy: 3.094 local terms energy: -716.862146 where: bonds (distance) C4'-P energy: -142.615 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -183.671 flat angles P-C4'-P energy: -101.206 tors. eta vs tors. theta energy: -130.180 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: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1667.005570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.005570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.005570 (E_RNA) where: Base-Base interactions energy: -1082.651 where: short stacking energy: -509.038 Base-Backbone interact. energy: -0.733 local terms energy: -583.621620 where: bonds (distance) C4'-P energy: -145.201 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -139.044 flat angles P-C4'-P energy: -81.705 tors. eta vs tors. theta energy: -79.758 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: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1189.611108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.611108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.611108 (E_RNA) where: Base-Base interactions energy: -619.740 where: short stacking energy: -353.203 Base-Backbone interact. energy: -5.153 local terms energy: -564.718566 where: bonds (distance) C4'-P energy: -153.073 bonds (distance) P-C4' energy: -130.088 flat angles C4'-P-C4' energy: -160.300 flat angles P-C4'-P energy: -79.467 tors. eta vs tors. theta energy: -41.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -900.740049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.740049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.740049 (E_RNA) where: Base-Base interactions energy: -439.081 where: short stacking energy: -261.000 Base-Backbone interact. energy: -3.111 local terms energy: -458.548500 where: bonds (distance) C4'-P energy: -138.443 bonds (distance) P-C4' energy: -135.548 flat angles C4'-P-C4' energy: -132.872 flat angles P-C4'-P energy: -63.136 tors. eta vs tors. theta energy: 11.451 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: 421 Temperature: 0.900000 Total energy: -3259.385533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.385533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.385533 (E_RNA) where: Base-Base interactions energy: -2258.489 where: short stacking energy: -975.652 Base-Backbone interact. energy: -3.506 local terms energy: -997.390537 where: bonds (distance) C4'-P energy: -177.243 bonds (distance) P-C4' energy: -191.258 flat angles C4'-P-C4' energy: -220.285 flat angles P-C4'-P energy: -130.951 tors. eta vs tors. theta energy: -277.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3088.947347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.947347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.947347 (E_RNA) where: Base-Base interactions energy: -2130.789 where: short stacking energy: -947.567 Base-Backbone interact. energy: -2.609 local terms energy: -955.549218 where: bonds (distance) C4'-P energy: -181.701 bonds (distance) P-C4' energy: -176.005 flat angles C4'-P-C4' energy: -197.830 flat angles P-C4'-P energy: -134.683 tors. eta vs tors. theta energy: -265.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -3005.321045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.321045 (E_RNA) where: Base-Base interactions energy: -2072.659 where: short stacking energy: -896.222 Base-Backbone interact. energy: -5.243 local terms energy: -927.419141 where: bonds (distance) C4'-P energy: -153.005 bonds (distance) P-C4' energy: -181.495 flat angles C4'-P-C4' energy: -203.273 flat angles P-C4'-P energy: -127.985 tors. eta vs tors. theta energy: -261.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2885.137293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.137293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.137293 (E_RNA) where: Base-Base interactions energy: -1985.315 where: short stacking energy: -856.135 Base-Backbone interact. energy: -1.709 local terms energy: -898.113856 where: bonds (distance) C4'-P energy: -157.360 bonds (distance) P-C4' energy: -160.506 flat angles C4'-P-C4' energy: -200.570 flat angles P-C4'-P energy: -132.909 tors. eta vs tors. theta energy: -246.769 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: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2697.880152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.880152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.880152 (E_RNA) where: Base-Base interactions energy: -1874.831 where: short stacking energy: -802.726 Base-Backbone interact. energy: -5.117 local terms energy: -817.931621 where: bonds (distance) C4'-P energy: -165.752 bonds (distance) P-C4' energy: -154.055 flat angles C4'-P-C4' energy: -192.966 flat angles P-C4'-P energy: -97.495 tors. eta vs tors. theta energy: -207.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2417.338854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.338854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.338854 (E_RNA) where: Base-Base interactions energy: -1649.633 where: short stacking energy: -731.563 Base-Backbone interact. energy: -2.591 local terms energy: -765.115159 where: bonds (distance) C4'-P energy: -124.567 bonds (distance) P-C4' energy: -171.789 flat angles C4'-P-C4' energy: -174.700 flat angles P-C4'-P energy: -106.763 tors. eta vs tors. theta energy: -187.296 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: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1955.700086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.700086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.700086 (E_RNA) where: Base-Base interactions energy: -1278.974 where: short stacking energy: -579.589 Base-Backbone interact. energy: 1.308 local terms energy: -678.034860 where: bonds (distance) C4'-P energy: -146.210 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -181.677 flat angles P-C4'-P energy: -98.587 tors. eta vs tors. theta energy: -117.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1662.277219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.277219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.277219 (E_RNA) where: Base-Base interactions energy: -1021.025 where: short stacking energy: -471.369 Base-Backbone interact. energy: 3.538 local terms energy: -644.790710 where: bonds (distance) C4'-P energy: -155.533 bonds (distance) P-C4' energy: -142.411 flat angles C4'-P-C4' energy: -149.724 flat angles P-C4'-P energy: -114.818 tors. eta vs tors. theta energy: -82.305 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: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1121.269852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.269852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.269852 (E_RNA) where: Base-Base interactions energy: -627.472 where: short stacking energy: -337.917 Base-Backbone interact. energy: 3.395 local terms energy: -497.192713 where: bonds (distance) C4'-P energy: -126.200 bonds (distance) P-C4' energy: -144.517 flat angles C4'-P-C4' energy: -137.764 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: -25.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -887.167648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.167648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.167648 (E_RNA) where: Base-Base interactions energy: -409.970 where: short stacking energy: -241.977 Base-Backbone interact. energy: 2.274 local terms energy: -479.471612 where: bonds (distance) C4'-P energy: -150.845 bonds (distance) P-C4' energy: -142.092 flat angles C4'-P-C4' energy: -133.713 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: 27.129 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: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3211.112566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.112566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.112566 (E_RNA) where: Base-Base interactions energy: -2249.911 where: short stacking energy: -944.729 Base-Backbone interact. energy: -6.182 local terms energy: -955.019137 where: bonds (distance) C4'-P energy: -171.302 bonds (distance) P-C4' energy: -183.816 flat angles C4'-P-C4' energy: -198.227 flat angles P-C4'-P energy: -128.238 tors. eta vs tors. theta energy: -273.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3141.459003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.459003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.459003 (E_RNA) where: Base-Base interactions energy: -2148.212 where: short stacking energy: -958.866 Base-Backbone interact. energy: -1.735 local terms energy: -991.512304 where: bonds (distance) C4'-P energy: -173.334 bonds (distance) P-C4' energy: -187.780 flat angles C4'-P-C4' energy: -215.872 flat angles P-C4'-P energy: -127.960 tors. eta vs tors. theta energy: -286.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2994.263384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.263384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.263384 (E_RNA) where: Base-Base interactions energy: -2074.428 where: short stacking energy: -896.672 Base-Backbone interact. energy: -6.006 local terms energy: -913.828803 where: bonds (distance) C4'-P energy: -173.884 bonds (distance) P-C4' energy: -186.317 flat angles C4'-P-C4' energy: -183.979 flat angles P-C4'-P energy: -123.088 tors. eta vs tors. theta energy: -246.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2817.689030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.689030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.689030 (E_RNA) where: Base-Base interactions energy: -1946.025 where: short stacking energy: -837.318 Base-Backbone interact. energy: -4.222 local terms energy: -867.441913 where: bonds (distance) C4'-P energy: -141.052 bonds (distance) P-C4' energy: -171.005 flat angles C4'-P-C4' energy: -193.876 flat angles P-C4'-P energy: -123.321 tors. eta vs tors. theta energy: -238.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2682.788246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.788246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.788246 (E_RNA) where: Base-Base interactions energy: -1839.319 where: short stacking energy: -800.673 Base-Backbone interact. energy: -4.425 local terms energy: -839.044131 where: bonds (distance) C4'-P energy: -169.491 bonds (distance) P-C4' energy: -151.904 flat angles C4'-P-C4' energy: -189.174 flat angles P-C4'-P energy: -109.150 tors. eta vs tors. theta energy: -219.325 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: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2469.839438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.839438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.839438 (E_RNA) where: Base-Base interactions energy: -1680.839 where: short stacking energy: -716.051 Base-Backbone interact. energy: 1.248 local terms energy: -790.249170 where: bonds (distance) C4'-P energy: -155.758 bonds (distance) P-C4' energy: -169.591 flat angles C4'-P-C4' energy: -175.271 flat angles P-C4'-P energy: -111.395 tors. eta vs tors. theta energy: -178.235 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: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1897.801058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.801058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.801058 (E_RNA) where: Base-Base interactions energy: -1204.485 where: short stacking energy: -547.684 Base-Backbone interact. energy: -4.349 local terms energy: -688.967251 where: bonds (distance) C4'-P energy: -160.503 bonds (distance) P-C4' energy: -170.285 flat angles C4'-P-C4' energy: -153.300 flat angles P-C4'-P energy: -99.361 tors. eta vs tors. theta energy: -105.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1619.901865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.901865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.901865 (E_RNA) where: Base-Base interactions energy: -990.197 where: short stacking energy: -462.802 Base-Backbone interact. energy: 0.785 local terms energy: -630.489489 where: bonds (distance) C4'-P energy: -139.901 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -164.040 flat angles P-C4'-P energy: -91.058 tors. eta vs tors. theta energy: -86.265 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: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1193.534415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.534415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.534415 (E_RNA) where: Base-Base interactions energy: -648.677 where: short stacking energy: -358.557 Base-Backbone interact. energy: -5.232 local terms energy: -539.625518 where: bonds (distance) C4'-P energy: -150.996 bonds (distance) P-C4' energy: -141.615 flat angles C4'-P-C4' energy: -114.877 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -30.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -897.381478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.381478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.381478 (E_RNA) where: Base-Base interactions energy: -422.117 where: short stacking energy: -272.193 Base-Backbone interact. energy: 5.695 local terms energy: -480.959611 where: bonds (distance) C4'-P energy: -119.439 bonds (distance) P-C4' energy: -162.709 flat angles C4'-P-C4' energy: -98.482 flat angles P-C4'-P energy: -93.744 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3276.210079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.210079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.210079 (E_RNA) where: Base-Base interactions energy: -2278.976 where: short stacking energy: -962.345 Base-Backbone interact. energy: -12.526 local terms energy: -984.708434 where: bonds (distance) C4'-P energy: -179.163 bonds (distance) P-C4' energy: -175.992 flat angles C4'-P-C4' energy: -217.463 flat angles P-C4'-P energy: -135.884 tors. eta vs tors. theta energy: -276.206 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: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -3144.420313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.420313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.420313 (E_RNA) where: Base-Base interactions energy: -2161.625 where: short stacking energy: -937.131 Base-Backbone interact. energy: -0.533 local terms energy: -982.262354 where: bonds (distance) C4'-P energy: -178.870 bonds (distance) P-C4' energy: -188.623 flat angles C4'-P-C4' energy: -197.659 flat angles P-C4'-P energy: -137.159 tors. eta vs tors. theta energy: -279.951 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: 423 Temperature: 1.000000 Total energy: -3005.409296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.409296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.409296 (E_RNA) where: Base-Base interactions energy: -2096.634 where: short stacking energy: -881.283 Base-Backbone interact. energy: -1.401 local terms energy: -907.374347 where: bonds (distance) C4'-P energy: -161.884 bonds (distance) P-C4' energy: -166.231 flat angles C4'-P-C4' energy: -192.418 flat angles P-C4'-P energy: -133.263 tors. eta vs tors. theta energy: -253.578 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: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2838.796456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.796456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.796456 (E_RNA) where: Base-Base interactions energy: -1945.811 where: short stacking energy: -870.187 Base-Backbone interact. energy: -3.508 local terms energy: -889.477548 where: bonds (distance) C4'-P energy: -154.373 bonds (distance) P-C4' energy: -160.884 flat angles C4'-P-C4' energy: -207.886 flat angles P-C4'-P energy: -128.548 tors. eta vs tors. theta energy: -237.786 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: 5, replica: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2673.794867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.794867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.794867 (E_RNA) where: Base-Base interactions energy: -1827.009 where: short stacking energy: -781.440 Base-Backbone interact. energy: -7.871 local terms energy: -838.915138 where: bonds (distance) C4'-P energy: -176.028 bonds (distance) P-C4' energy: -164.670 flat angles C4'-P-C4' energy: -166.724 flat angles P-C4'-P energy: -107.995 tors. eta vs tors. theta energy: -223.499 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: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2430.963921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.963921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.963921 (E_RNA) where: Base-Base interactions energy: -1666.210 where: short stacking energy: -716.800 Base-Backbone interact. energy: -1.225 local terms energy: -763.528827 where: bonds (distance) C4'-P energy: -146.563 bonds (distance) P-C4' energy: -154.961 flat angles C4'-P-C4' energy: -181.475 flat angles P-C4'-P energy: -98.402 tors. eta vs tors. theta energy: -182.128 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: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1915.615128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.615128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.615128 (E_RNA) where: Base-Base interactions energy: -1261.695 where: short stacking energy: -595.206 Base-Backbone interact. energy: -3.450 local terms energy: -650.470342 where: bonds (distance) C4'-P energy: -144.861 bonds (distance) P-C4' energy: -135.550 flat angles C4'-P-C4' energy: -158.825 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -113.023 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: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1610.494523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.494523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.494523 (E_RNA) where: Base-Base interactions energy: -976.548 where: short stacking energy: -450.271 Base-Backbone interact. energy: 0.501 local terms energy: -634.448196 where: bonds (distance) C4'-P energy: -156.797 bonds (distance) P-C4' energy: -150.475 flat angles C4'-P-C4' energy: -150.775 flat angles P-C4'-P energy: -100.485 tors. eta vs tors. theta energy: -75.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1209.232643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.232643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.232643 (E_RNA) where: Base-Base interactions energy: -650.483 where: short stacking energy: -361.410 Base-Backbone interact. energy: 2.015 local terms energy: -560.765443 where: bonds (distance) C4'-P energy: -143.510 bonds (distance) P-C4' energy: -165.442 flat angles C4'-P-C4' energy: -119.832 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: -50.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -909.445227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.445227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.445227 (E_RNA) where: Base-Base interactions energy: -442.178 where: short stacking energy: -245.779 Base-Backbone interact. energy: 5.588 local terms energy: -472.855141 where: bonds (distance) C4'-P energy: -136.471 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -140.582 flat angles P-C4'-P energy: -67.780 tors. eta vs tors. theta energy: 21.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3217.512764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.512764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.512764 (E_RNA) where: Base-Base interactions energy: -2239.743 where: short stacking energy: -966.357 Base-Backbone interact. energy: -8.117 local terms energy: -969.652490 where: bonds (distance) C4'-P energy: -175.195 bonds (distance) P-C4' energy: -198.264 flat angles C4'-P-C4' energy: -195.104 flat angles P-C4'-P energy: -133.606 tors. eta vs tors. theta energy: -267.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3136.330820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.330820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.330820 (E_RNA) where: Base-Base interactions energy: -2157.964 where: short stacking energy: -925.048 Base-Backbone interact. energy: -1.261 local terms energy: -977.105355 where: bonds (distance) C4'-P energy: -159.830 bonds (distance) P-C4' energy: -199.336 flat angles C4'-P-C4' energy: -208.079 flat angles P-C4'-P energy: -138.684 tors. eta vs tors. theta energy: -271.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2963.195918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.195918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.195918 (E_RNA) where: Base-Base interactions energy: -2040.457 where: short stacking energy: -886.214 Base-Backbone interact. energy: -0.675 local terms energy: -922.064478 where: bonds (distance) C4'-P energy: -158.254 bonds (distance) P-C4' energy: -176.490 flat angles C4'-P-C4' energy: -207.922 flat angles P-C4'-P energy: -125.936 tors. eta vs tors. theta energy: -253.463 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: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2856.263105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.263105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.263105 (E_RNA) where: Base-Base interactions energy: -2001.057 where: short stacking energy: -855.235 Base-Backbone interact. energy: -5.616 local terms energy: -849.590350 where: bonds (distance) C4'-P energy: -144.362 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -210.417 flat angles P-C4'-P energy: -121.723 tors. eta vs tors. theta energy: -227.855 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: 5, replica: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2647.848893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.848893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.848893 (E_RNA) where: Base-Base interactions energy: -1833.799 where: short stacking energy: -742.895 Base-Backbone interact. energy: 0.339 local terms energy: -814.388561 where: bonds (distance) C4'-P energy: -156.793 bonds (distance) P-C4' energy: -176.062 flat angles C4'-P-C4' energy: -168.038 flat angles P-C4'-P energy: -114.867 tors. eta vs tors. theta energy: -198.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2424.846451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.846451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.846451 (E_RNA) where: Base-Base interactions energy: -1642.916 where: short stacking energy: -709.922 Base-Backbone interact. energy: -1.779 local terms energy: -780.150746 where: bonds (distance) C4'-P energy: -147.181 bonds (distance) P-C4' energy: -161.163 flat angles C4'-P-C4' energy: -180.016 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -183.772 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: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1980.152552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.152552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.152552 (E_RNA) where: Base-Base interactions energy: -1264.858 where: short stacking energy: -576.071 Base-Backbone interact. energy: -2.776 local terms energy: -712.518186 where: bonds (distance) C4'-P energy: -159.676 bonds (distance) P-C4' energy: -161.690 flat angles C4'-P-C4' energy: -168.185 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -122.380 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: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1633.578355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.578355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.578355 (E_RNA) where: Base-Base interactions energy: -1030.321 where: short stacking energy: -490.182 Base-Backbone interact. energy: -2.915 local terms energy: -600.342564 where: bonds (distance) C4'-P energy: -146.162 bonds (distance) P-C4' energy: -162.077 flat angles C4'-P-C4' energy: -153.930 flat angles P-C4'-P energy: -69.438 tors. eta vs tors. theta energy: -68.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1236.943730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.943730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.943730 (E_RNA) where: Base-Base interactions energy: -698.320 where: short stacking energy: -383.343 Base-Backbone interact. energy: 0.864 local terms energy: -539.487856 where: bonds (distance) C4'-P energy: -137.125 bonds (distance) P-C4' energy: -155.593 flat angles C4'-P-C4' energy: -137.965 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -32.111 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: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -920.589806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.589806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.589806 (E_RNA) where: Base-Base interactions energy: -433.464 where: short stacking energy: -252.219 Base-Backbone interact. energy: -0.677 local terms energy: -486.449334 where: bonds (distance) C4'-P energy: -146.371 bonds (distance) P-C4' energy: -163.756 flat angles C4'-P-C4' energy: -116.893 flat angles P-C4'-P energy: -87.697 tors. eta vs tors. theta energy: 28.268 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: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3246.798104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.798104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.798104 (E_RNA) where: Base-Base interactions energy: -2256.190 where: short stacking energy: -960.777 Base-Backbone interact. energy: -11.495 local terms energy: -979.113023 where: bonds (distance) C4'-P energy: -179.252 bonds (distance) P-C4' energy: -188.276 flat angles C4'-P-C4' energy: -206.112 flat angles P-C4'-P energy: -123.426 tors. eta vs tors. theta energy: -282.048 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: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3166.073994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.073994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.073994 (E_RNA) where: Base-Base interactions energy: -2179.898 where: short stacking energy: -946.070 Base-Backbone interact. energy: -1.381 local terms energy: -984.795437 where: bonds (distance) C4'-P energy: -160.115 bonds (distance) P-C4' energy: -183.160 flat angles C4'-P-C4' energy: -217.327 flat angles P-C4'-P energy: -136.913 tors. eta vs tors. theta energy: -287.281 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: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -3008.120039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.120039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.120039 (E_RNA) where: Base-Base interactions energy: -2081.214 where: short stacking energy: -908.675 Base-Backbone interact. energy: -6.117 local terms energy: -920.789260 where: bonds (distance) C4'-P energy: -173.219 bonds (distance) P-C4' energy: -157.665 flat angles C4'-P-C4' energy: -209.923 flat angles P-C4'-P energy: -123.193 tors. eta vs tors. theta energy: -256.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2881.775503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.775503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.775503 (E_RNA) where: Base-Base interactions energy: -1961.482 where: short stacking energy: -857.703 Base-Backbone interact. energy: -6.842 local terms energy: -913.452342 where: bonds (distance) C4'-P energy: -178.151 bonds (distance) P-C4' energy: -179.324 flat angles C4'-P-C4' energy: -186.988 flat angles P-C4'-P energy: -138.303 tors. eta vs tors. theta energy: -230.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2692.863016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.863016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.863016 (E_RNA) where: Base-Base interactions energy: -1900.374 where: short stacking energy: -790.656 Base-Backbone interact. energy: -2.961 local terms energy: -789.527899 where: bonds (distance) C4'-P energy: -131.941 bonds (distance) P-C4' energy: -161.543 flat angles C4'-P-C4' energy: -178.183 flat angles P-C4'-P energy: -108.839 tors. eta vs tors. theta energy: -209.021 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: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2398.534362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.534362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.534362 (E_RNA) where: Base-Base interactions energy: -1624.440 where: short stacking energy: -746.475 Base-Backbone interact. energy: 0.796 local terms energy: -774.890193 where: bonds (distance) C4'-P energy: -139.975 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -175.788 flat angles P-C4'-P energy: -116.444 tors. eta vs tors. theta energy: -195.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1984.430497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.430497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.430497 (E_RNA) where: Base-Base interactions energy: -1316.625 where: short stacking energy: -596.841 Base-Backbone interact. energy: -1.424 local terms energy: -666.381395 where: bonds (distance) C4'-P energy: -142.941 bonds (distance) P-C4' energy: -169.875 flat angles C4'-P-C4' energy: -143.437 flat angles P-C4'-P energy: -100.313 tors. eta vs tors. theta energy: -109.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1553.692387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.692387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.692387 (E_RNA) where: Base-Base interactions energy: -943.462 where: short stacking energy: -445.247 Base-Backbone interact. energy: -4.089 local terms energy: -606.141295 where: bonds (distance) C4'-P energy: -146.595 bonds (distance) P-C4' energy: -150.028 flat angles C4'-P-C4' energy: -143.663 flat angles P-C4'-P energy: -101.939 tors. eta vs tors. theta energy: -63.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1261.054046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.054046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.054046 (E_RNA) where: Base-Base interactions energy: -727.283 where: short stacking energy: -350.255 Base-Backbone interact. energy: -0.462 local terms energy: -533.309248 where: bonds (distance) C4'-P energy: -137.641 bonds (distance) P-C4' energy: -157.653 flat angles C4'-P-C4' energy: -144.258 flat angles P-C4'-P energy: -61.038 tors. eta vs tors. theta energy: -32.719 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -901.717138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.717138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.717138 (E_RNA) where: Base-Base interactions energy: -451.054 where: short stacking energy: -252.900 Base-Backbone interact. energy: -1.055 local terms energy: -449.607433 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -111.910 flat angles P-C4'-P energy: -81.674 tors. eta vs tors. theta energy: 6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3230.422372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.422372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.422372 (E_RNA) where: Base-Base interactions energy: -2248.917 where: short stacking energy: -971.959 Base-Backbone interact. energy: -0.616 local terms energy: -980.889386 where: bonds (distance) C4'-P energy: -176.598 bonds (distance) P-C4' energy: -177.238 flat angles C4'-P-C4' energy: -212.668 flat angles P-C4'-P energy: -127.532 tors. eta vs tors. theta energy: -286.855 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: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3149.420585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.420585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.420585 (E_RNA) where: Base-Base interactions energy: -2188.139 where: short stacking energy: -952.807 Base-Backbone interact. energy: -2.847 local terms energy: -958.435344 where: bonds (distance) C4'-P energy: -184.613 bonds (distance) P-C4' energy: -159.514 flat angles C4'-P-C4' energy: -198.751 flat angles P-C4'-P energy: -144.731 tors. eta vs tors. theta energy: -270.826 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: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -3036.633675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.633675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.633675 (E_RNA) where: Base-Base interactions energy: -2120.987 where: short stacking energy: -926.995 Base-Backbone interact. energy: -3.711 local terms energy: -911.936008 where: bonds (distance) C4'-P energy: -158.224 bonds (distance) P-C4' energy: -179.871 flat angles C4'-P-C4' energy: -189.845 flat angles P-C4'-P energy: -130.888 tors. eta vs tors. theta energy: -253.107 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: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2876.003042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.003042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.003042 (E_RNA) where: Base-Base interactions energy: -2006.280 where: short stacking energy: -861.227 Base-Backbone interact. energy: -6.103 local terms energy: -863.620226 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -168.157 flat angles C4'-P-C4' energy: -186.823 flat angles P-C4'-P energy: -130.014 tors. eta vs tors. theta energy: -243.379 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: 5, replica: 5 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2606.064582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.064582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.064582 (E_RNA) where: Base-Base interactions energy: -1782.689 where: short stacking energy: -774.633 Base-Backbone interact. energy: -2.207 local terms energy: -821.168891 where: bonds (distance) C4'-P energy: -167.558 bonds (distance) P-C4' energy: -169.964 flat angles C4'-P-C4' energy: -185.431 flat angles P-C4'-P energy: -109.510 tors. eta vs tors. theta energy: -188.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2361.616111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.616111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.616111 (E_RNA) where: Base-Base interactions energy: -1601.244 where: short stacking energy: -708.397 Base-Backbone interact. energy: -3.494 local terms energy: -756.878399 where: bonds (distance) C4'-P energy: -153.909 bonds (distance) P-C4' energy: -153.202 flat angles C4'-P-C4' energy: -188.012 flat angles P-C4'-P energy: -90.732 tors. eta vs tors. theta energy: -171.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1965.312401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.312401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.312401 (E_RNA) where: Base-Base interactions energy: -1270.076 where: short stacking energy: -580.565 Base-Backbone interact. energy: -1.465 local terms energy: -693.770678 where: bonds (distance) C4'-P energy: -157.204 bonds (distance) P-C4' energy: -159.905 flat angles C4'-P-C4' energy: -154.660 flat angles P-C4'-P energy: -94.661 tors. eta vs tors. theta energy: -127.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1567.293679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.293679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.293679 (E_RNA) where: Base-Base interactions energy: -954.270 where: short stacking energy: -456.176 Base-Backbone interact. energy: -0.782 local terms energy: -612.242127 where: bonds (distance) C4'-P energy: -155.923 bonds (distance) P-C4' energy: -147.341 flat angles C4'-P-C4' energy: -151.628 flat angles P-C4'-P energy: -89.561 tors. eta vs tors. theta energy: -67.790 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: 426 Temperature: 1.300000 Total energy: -1292.398172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.398172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.398172 (E_RNA) where: Base-Base interactions energy: -749.574 where: short stacking energy: -390.056 Base-Backbone interact. energy: 5.491 local terms energy: -548.316082 where: bonds (distance) C4'-P energy: -130.576 bonds (distance) P-C4' energy: -151.155 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -73.290 tors. eta vs tors. theta energy: -48.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -960.824438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.824438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.824438 (E_RNA) where: Base-Base interactions energy: -480.856 where: short stacking energy: -289.171 Base-Backbone interact. energy: -2.125 local terms energy: -477.843386 where: bonds (distance) C4'-P energy: -147.592 bonds (distance) P-C4' energy: -143.641 flat angles C4'-P-C4' energy: -126.855 flat angles P-C4'-P energy: -57.104 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3208.541898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.541898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.541898 (E_RNA) where: Base-Base interactions energy: -2205.624 where: short stacking energy: -941.413 Base-Backbone interact. energy: -7.705 local terms energy: -995.212751 where: bonds (distance) C4'-P energy: -190.213 bonds (distance) P-C4' energy: -183.778 flat angles C4'-P-C4' energy: -205.887 flat angles P-C4'-P energy: -149.414 tors. eta vs tors. theta energy: -265.920 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: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3147.847182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.847182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.847182 (E_RNA) where: Base-Base interactions energy: -2173.520 where: short stacking energy: -965.582 Base-Backbone interact. energy: -6.249 local terms energy: -968.078331 where: bonds (distance) C4'-P energy: -179.306 bonds (distance) P-C4' energy: -180.282 flat angles C4'-P-C4' energy: -215.822 flat angles P-C4'-P energy: -118.049 tors. eta vs tors. theta energy: -274.620 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: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2997.648311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.648311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.648311 (E_RNA) where: Base-Base interactions energy: -2072.623 where: short stacking energy: -886.818 Base-Backbone interact. energy: 3.332 local terms energy: -928.356986 where: bonds (distance) C4'-P energy: -176.597 bonds (distance) P-C4' energy: -180.970 flat angles C4'-P-C4' energy: -196.258 flat angles P-C4'-P energy: -129.485 tors. eta vs tors. theta energy: -245.047 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: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2839.394179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.394179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.394179 (E_RNA) where: Base-Base interactions energy: -1935.046 where: short stacking energy: -832.206 Base-Backbone interact. energy: -1.133 local terms energy: -903.215775 where: bonds (distance) C4'-P energy: -170.336 bonds (distance) P-C4' energy: -176.098 flat angles C4'-P-C4' energy: -189.522 flat angles P-C4'-P energy: -135.596 tors. eta vs tors. theta energy: -231.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2648.398533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.398533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.398533 (E_RNA) where: Base-Base interactions energy: -1808.921 where: short stacking energy: -787.314 Base-Backbone interact. energy: -1.106 local terms energy: -838.371810 where: bonds (distance) C4'-P energy: -152.725 bonds (distance) P-C4' energy: -153.404 flat angles C4'-P-C4' energy: -183.542 flat angles P-C4'-P energy: -139.629 tors. eta vs tors. theta energy: -209.072 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: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2409.755731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.755731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.755731 (E_RNA) where: Base-Base interactions energy: -1627.388 where: short stacking energy: -717.769 Base-Backbone interact. energy: -3.745 local terms energy: -778.623484 where: bonds (distance) C4'-P energy: -151.600 bonds (distance) P-C4' energy: -168.291 flat angles C4'-P-C4' energy: -166.547 flat angles P-C4'-P energy: -106.583 tors. eta vs tors. theta energy: -185.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2018.593382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.593382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.593382 (E_RNA) where: Base-Base interactions energy: -1270.430 where: short stacking energy: -576.931 Base-Backbone interact. energy: 2.998 local terms energy: -751.161528 where: bonds (distance) C4'-P energy: -152.355 bonds (distance) P-C4' energy: -174.747 flat angles C4'-P-C4' energy: -183.360 flat angles P-C4'-P energy: -119.463 tors. eta vs tors. theta energy: -121.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1620.682211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.682211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.682211 (E_RNA) where: Base-Base interactions energy: -978.269 where: short stacking energy: -505.238 Base-Backbone interact. energy: -2.174 local terms energy: -640.238808 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -157.461 flat angles C4'-P-C4' energy: -147.612 flat angles P-C4'-P energy: -99.830 tors. eta vs tors. theta energy: -89.339 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: 9, replica: 6 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1190.966357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.966357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.966357 (E_RNA) where: Base-Base interactions energy: -651.725 where: short stacking energy: -339.821 Base-Backbone interact. energy: 0.227 local terms energy: -539.468155 where: bonds (distance) C4'-P energy: -153.369 bonds (distance) P-C4' energy: -147.129 flat angles C4'-P-C4' energy: -124.851 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -28.040 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: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1028.411878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.411878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.411878 (E_RNA) where: Base-Base interactions energy: -509.505 where: short stacking energy: -278.178 Base-Backbone interact. energy: 1.408 local terms energy: -520.315141 where: bonds (distance) C4'-P energy: -134.764 bonds (distance) P-C4' energy: -150.322 flat angles C4'-P-C4' energy: -158.606 flat angles P-C4'-P energy: -81.192 tors. eta vs tors. theta energy: 4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3226.876132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.876132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.876132 (E_RNA) where: Base-Base interactions energy: -2234.417 where: short stacking energy: -950.827 Base-Backbone interact. energy: -5.788 local terms energy: -986.670912 where: bonds (distance) C4'-P energy: -171.881 bonds (distance) P-C4' energy: -190.030 flat angles C4'-P-C4' energy: -214.790 flat angles P-C4'-P energy: -145.110 tors. eta vs tors. theta energy: -264.860 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: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3161.290462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.290462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.290462 (E_RNA) where: Base-Base interactions energy: -2169.600 where: short stacking energy: -957.220 Base-Backbone interact. energy: -2.345 local terms energy: -989.345652 where: bonds (distance) C4'-P energy: -186.757 bonds (distance) P-C4' energy: -177.444 flat angles C4'-P-C4' energy: -207.669 flat angles P-C4'-P energy: -140.691 tors. eta vs tors. theta energy: -276.785 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: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2979.054023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.054023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.054023 (E_RNA) where: Base-Base interactions energy: -2094.625 where: short stacking energy: -875.861 Base-Backbone interact. energy: -2.665 local terms energy: -881.764320 where: bonds (distance) C4'-P energy: -175.373 bonds (distance) P-C4' energy: -150.066 flat angles C4'-P-C4' energy: -190.161 flat angles P-C4'-P energy: -129.594 tors. eta vs tors. theta energy: -236.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2869.154183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.154183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.154183 (E_RNA) where: Base-Base interactions energy: -1999.388 where: short stacking energy: -864.490 Base-Backbone interact. energy: -6.643 local terms energy: -863.123270 where: bonds (distance) C4'-P energy: -158.338 bonds (distance) P-C4' energy: -163.033 flat angles C4'-P-C4' energy: -178.661 flat angles P-C4'-P energy: -137.034 tors. eta vs tors. theta energy: -226.057 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: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2662.599313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.599313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.599313 (E_RNA) where: Base-Base interactions energy: -1836.218 where: short stacking energy: -797.139 Base-Backbone interact. energy: -6.916 local terms energy: -819.465057 where: bonds (distance) C4'-P energy: -172.597 bonds (distance) P-C4' energy: -156.278 flat angles C4'-P-C4' energy: -170.798 flat angles P-C4'-P energy: -109.055 tors. eta vs tors. theta energy: -210.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2425.043706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.043706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.043706 (E_RNA) where: Base-Base interactions energy: -1603.432 where: short stacking energy: -701.715 Base-Backbone interact. energy: -1.626 local terms energy: -819.985556 where: bonds (distance) C4'-P energy: -152.925 bonds (distance) P-C4' energy: -187.800 flat angles C4'-P-C4' energy: -182.473 flat angles P-C4'-P energy: -106.846 tors. eta vs tors. theta energy: -189.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1962.246288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.246288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.246288 (E_RNA) where: Base-Base interactions energy: -1286.584 where: short stacking energy: -554.854 Base-Backbone interact. energy: -1.644 local terms energy: -674.017638 where: bonds (distance) C4'-P energy: -144.983 bonds (distance) P-C4' energy: -135.326 flat angles C4'-P-C4' energy: -155.623 flat angles P-C4'-P energy: -119.581 tors. eta vs tors. theta energy: -118.504 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: 428 Temperature: 1.250000 Total energy: -1604.664665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.664665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.664665 (E_RNA) where: Base-Base interactions energy: -982.484 where: short stacking energy: -483.136 Base-Backbone interact. energy: -2.460 local terms energy: -619.720728 where: bonds (distance) C4'-P energy: -148.060 bonds (distance) P-C4' energy: -146.245 flat angles C4'-P-C4' energy: -135.031 flat angles P-C4'-P energy: -105.302 tors. eta vs tors. theta energy: -85.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1037.649464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.649464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.649464 (E_RNA) where: Base-Base interactions energy: -544.195 where: short stacking energy: -311.933 Base-Backbone interact. energy: 3.920 local terms energy: -497.373918 where: bonds (distance) C4'-P energy: -173.669 bonds (distance) P-C4' energy: -163.616 flat angles C4'-P-C4' energy: -119.063 flat angles P-C4'-P energy: -55.386 tors. eta vs tors. theta energy: 14.359 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: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1087.197605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.197605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.197605 (E_RNA) where: Base-Base interactions energy: -562.425 where: short stacking energy: -317.251 Base-Backbone interact. energy: 2.703 local terms energy: -527.475607 where: bonds (distance) C4'-P energy: -166.295 bonds (distance) P-C4' energy: -142.816 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -27.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3224.507204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.507204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.507204 (E_RNA) where: Base-Base interactions energy: -2259.883 where: short stacking energy: -949.358 Base-Backbone interact. energy: -3.849 local terms energy: -960.775580 where: bonds (distance) C4'-P energy: -168.321 bonds (distance) P-C4' energy: -174.872 flat angles C4'-P-C4' energy: -215.805 flat angles P-C4'-P energy: -131.714 tors. eta vs tors. theta energy: -270.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3161.721357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.721357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.721357 (E_RNA) where: Base-Base interactions energy: -2193.559 where: short stacking energy: -915.706 Base-Backbone interact. energy: -5.513 local terms energy: -962.649644 where: bonds (distance) C4'-P energy: -168.108 bonds (distance) P-C4' energy: -173.564 flat angles C4'-P-C4' energy: -207.079 flat angles P-C4'-P energy: -146.870 tors. eta vs tors. theta energy: -267.028 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: 429 Temperature: 1.000000 Total energy: -2972.553915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.553915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.553915 (E_RNA) where: Base-Base interactions energy: -2048.993 where: short stacking energy: -871.763 Base-Backbone interact. energy: -2.766 local terms energy: -920.794466 where: bonds (distance) C4'-P energy: -176.278 bonds (distance) P-C4' energy: -171.203 flat angles C4'-P-C4' energy: -194.782 flat angles P-C4'-P energy: -120.936 tors. eta vs tors. theta energy: -257.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2832.884353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.884353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.884353 (E_RNA) where: Base-Base interactions energy: -1933.742 where: short stacking energy: -822.268 Base-Backbone interact. energy: -2.269 local terms energy: -896.872861 where: bonds (distance) C4'-P energy: -163.011 bonds (distance) P-C4' energy: -172.408 flat angles C4'-P-C4' energy: -196.482 flat angles P-C4'-P energy: -130.364 tors. eta vs tors. theta energy: -234.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2676.886202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.886202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.886202 (E_RNA) where: Base-Base interactions energy: -1845.359 where: short stacking energy: -792.164 Base-Backbone interact. energy: -1.195 local terms energy: -830.332413 where: bonds (distance) C4'-P energy: -159.145 bonds (distance) P-C4' energy: -161.240 flat angles C4'-P-C4' energy: -173.993 flat angles P-C4'-P energy: -111.379 tors. eta vs tors. theta energy: -224.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2436.773922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.773922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.773922 (E_RNA) where: Base-Base interactions energy: -1623.942 where: short stacking energy: -701.624 Base-Backbone interact. energy: 2.327 local terms energy: -815.159384 where: bonds (distance) C4'-P energy: -161.064 bonds (distance) P-C4' energy: -173.420 flat angles C4'-P-C4' energy: -182.213 flat angles P-C4'-P energy: -109.418 tors. eta vs tors. theta energy: -189.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2002.927623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.927623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.927623 (E_RNA) where: Base-Base interactions energy: -1309.615 where: short stacking energy: -573.154 Base-Backbone interact. energy: -6.594 local terms energy: -686.719462 where: bonds (distance) C4'-P energy: -154.889 bonds (distance) P-C4' energy: -160.330 flat angles C4'-P-C4' energy: -170.198 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -116.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1612.277788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.277788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.277788 (E_RNA) where: Base-Base interactions energy: -1030.412 where: short stacking energy: -485.791 Base-Backbone interact. energy: -1.586 local terms energy: -580.279878 where: bonds (distance) C4'-P energy: -131.807 bonds (distance) P-C4' energy: -160.764 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -87.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1020.554149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.554149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.554149 (E_RNA) where: Base-Base interactions energy: -511.940 where: short stacking energy: -309.815 Base-Backbone interact. energy: 4.731 local terms energy: -513.345020 where: bonds (distance) C4'-P energy: -156.438 bonds (distance) P-C4' energy: -119.675 flat angles C4'-P-C4' energy: -122.617 flat angles P-C4'-P energy: -91.407 tors. eta vs tors. theta energy: -23.208 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: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1022.957440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.957440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.957440 (E_RNA) where: Base-Base interactions energy: -503.597 where: short stacking energy: -317.961 Base-Backbone interact. energy: 2.371 local terms energy: -521.731189 where: bonds (distance) C4'-P energy: -134.813 bonds (distance) P-C4' energy: -160.547 flat angles C4'-P-C4' energy: -131.979 flat angles P-C4'-P energy: -74.024 tors. eta vs tors. theta energy: -20.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3226.869544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.869544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.869544 (E_RNA) where: Base-Base interactions energy: -2260.783 where: short stacking energy: -944.368 Base-Backbone interact. energy: -6.376 local terms energy: -959.710775 where: bonds (distance) C4'-P energy: -169.377 bonds (distance) P-C4' energy: -178.718 flat angles C4'-P-C4' energy: -213.535 flat angles P-C4'-P energy: -127.083 tors. eta vs tors. theta energy: -270.998 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: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3183.521407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.521407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.521407 (E_RNA) where: Base-Base interactions energy: -2207.233 where: short stacking energy: -986.121 Base-Backbone interact. energy: -2.813 local terms energy: -973.475647 where: bonds (distance) C4'-P energy: -189.684 bonds (distance) P-C4' energy: -169.439 flat angles C4'-P-C4' energy: -205.363 flat angles P-C4'-P energy: -132.826 tors. eta vs tors. theta energy: -276.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2991.544876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.544876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.544876 (E_RNA) where: Base-Base interactions energy: -2080.646 where: short stacking energy: -884.195 Base-Backbone interact. energy: -1.672 local terms energy: -909.227063 where: bonds (distance) C4'-P energy: -159.788 bonds (distance) P-C4' energy: -178.505 flat angles C4'-P-C4' energy: -193.645 flat angles P-C4'-P energy: -128.387 tors. eta vs tors. theta energy: -248.902 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: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2888.841076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.841076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.841076 (E_RNA) where: Base-Base interactions energy: -1973.099 where: short stacking energy: -844.460 Base-Backbone interact. energy: -5.208 local terms energy: -910.534828 where: bonds (distance) C4'-P energy: -171.063 bonds (distance) P-C4' energy: -182.895 flat angles C4'-P-C4' energy: -192.779 flat angles P-C4'-P energy: -126.593 tors. eta vs tors. theta energy: -237.205 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: 5 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2659.391001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.391001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.391001 (E_RNA) where: Base-Base interactions energy: -1824.593 where: short stacking energy: -761.740 Base-Backbone interact. energy: 2.914 local terms energy: -837.712218 where: bonds (distance) C4'-P energy: -169.617 bonds (distance) P-C4' energy: -162.550 flat angles C4'-P-C4' energy: -173.421 flat angles P-C4'-P energy: -125.067 tors. eta vs tors. theta energy: -207.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2503.733713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.733713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.733713 (E_RNA) where: Base-Base interactions energy: -1668.963 where: short stacking energy: -741.123 Base-Backbone interact. energy: -3.776 local terms energy: -830.994658 where: bonds (distance) C4'-P energy: -172.160 bonds (distance) P-C4' energy: -160.020 flat angles C4'-P-C4' energy: -185.816 flat angles P-C4'-P energy: -110.493 tors. eta vs tors. theta energy: -202.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2048.205270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.205270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.205270 (E_RNA) where: Base-Base interactions energy: -1332.901 where: short stacking energy: -597.436 Base-Backbone interact. energy: -3.134 local terms energy: -712.170190 where: bonds (distance) C4'-P energy: -163.439 bonds (distance) P-C4' energy: -138.779 flat angles C4'-P-C4' energy: -156.735 flat angles P-C4'-P energy: -113.809 tors. eta vs tors. theta energy: -139.409 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: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1660.900154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.900154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.900154 (E_RNA) where: Base-Base interactions energy: -1044.744 where: short stacking energy: -484.983 Base-Backbone interact. energy: 0.620 local terms energy: -616.775805 where: bonds (distance) C4'-P energy: -160.398 bonds (distance) P-C4' energy: -162.276 flat angles C4'-P-C4' energy: -147.010 flat angles P-C4'-P energy: -91.740 tors. eta vs tors. theta energy: -55.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1073.272694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.272694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.272694 (E_RNA) where: Base-Base interactions energy: -565.933 where: short stacking energy: -336.014 Base-Backbone interact. energy: 6.024 local terms energy: -513.364491 where: bonds (distance) C4'-P energy: -137.626 bonds (distance) P-C4' energy: -162.750 flat angles C4'-P-C4' energy: -128.525 flat angles P-C4'-P energy: -82.194 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -941.295996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.295996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.295996 (E_RNA) where: Base-Base interactions energy: -462.821 where: short stacking energy: -234.727 Base-Backbone interact. energy: -0.599 local terms energy: -477.875145 where: bonds (distance) C4'-P energy: -150.594 bonds (distance) P-C4' energy: -153.513 flat angles C4'-P-C4' energy: -122.838 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: 17.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3255.694867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.694867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.694867 (E_RNA) where: Base-Base interactions energy: -2260.203 where: short stacking energy: -962.311 Base-Backbone interact. energy: -4.939 local terms energy: -990.552991 where: bonds (distance) C4'-P energy: -160.982 bonds (distance) P-C4' energy: -192.262 flat angles C4'-P-C4' energy: -224.663 flat angles P-C4'-P energy: -137.402 tors. eta vs tors. theta energy: -275.245 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: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3169.617139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.617139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.617139 (E_RNA) where: Base-Base interactions energy: -2187.099 where: short stacking energy: -964.277 Base-Backbone interact. energy: -5.025 local terms energy: -977.492412 where: bonds (distance) C4'-P energy: -184.369 bonds (distance) P-C4' energy: -173.670 flat angles C4'-P-C4' energy: -188.404 flat angles P-C4'-P energy: -139.856 tors. eta vs tors. theta energy: -291.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2990.610351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.610351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.610351 (E_RNA) where: Base-Base interactions energy: -2083.930 where: short stacking energy: -929.289 Base-Backbone interact. energy: -2.630 local terms energy: -904.050187 where: bonds (distance) C4'-P energy: -152.532 bonds (distance) P-C4' energy: -167.737 flat angles C4'-P-C4' energy: -196.314 flat angles P-C4'-P energy: -131.383 tors. eta vs tors. theta energy: -256.084 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: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2879.603504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.603504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.603504 (E_RNA) where: Base-Base interactions energy: -1994.814 where: short stacking energy: -839.767 Base-Backbone interact. energy: -2.451 local terms energy: -882.337977 where: bonds (distance) C4'-P energy: -167.750 bonds (distance) P-C4' energy: -165.102 flat angles C4'-P-C4' energy: -197.554 flat angles P-C4'-P energy: -105.810 tors. eta vs tors. theta energy: -246.122 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: 5 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2689.084032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.084032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.084032 (E_RNA) where: Base-Base interactions energy: -1858.815 where: short stacking energy: -781.171 Base-Backbone interact. energy: -2.460 local terms energy: -827.809805 where: bonds (distance) C4'-P energy: -160.921 bonds (distance) P-C4' energy: -177.850 flat angles C4'-P-C4' energy: -164.383 flat angles P-C4'-P energy: -100.441 tors. eta vs tors. theta energy: -224.214 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: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2524.259435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.259435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.259435 (E_RNA) where: Base-Base interactions energy: -1708.850 where: short stacking energy: -744.823 Base-Backbone interact. energy: -3.885 local terms energy: -811.524686 where: bonds (distance) C4'-P energy: -163.496 bonds (distance) P-C4' energy: -163.317 flat angles C4'-P-C4' energy: -164.422 flat angles P-C4'-P energy: -119.034 tors. eta vs tors. theta energy: -201.255 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: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2060.683862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.683862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.683862 (E_RNA) where: Base-Base interactions energy: -1339.861 where: short stacking energy: -591.379 Base-Backbone interact. energy: -5.260 local terms energy: -715.563735 where: bonds (distance) C4'-P energy: -184.112 bonds (distance) P-C4' energy: -144.345 flat angles C4'-P-C4' energy: -166.581 flat angles P-C4'-P energy: -97.994 tors. eta vs tors. theta energy: -122.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1704.496797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.496797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.496797 (E_RNA) where: Base-Base interactions energy: -1038.877 where: short stacking energy: -478.437 Base-Backbone interact. energy: -2.066 local terms energy: -663.553939 where: bonds (distance) C4'-P energy: -162.052 bonds (distance) P-C4' energy: -150.077 flat angles C4'-P-C4' energy: -158.155 flat angles P-C4'-P energy: -93.808 tors. eta vs tors. theta energy: -99.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1028.414965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.414965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.414965 (E_RNA) where: Base-Base interactions energy: -487.151 where: short stacking energy: -288.751 Base-Backbone interact. energy: 0.708 local terms energy: -541.971750 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -163.115 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -102.527 tors. eta vs tors. theta energy: -8.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -960.892569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.892569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.892569 (E_RNA) where: Base-Base interactions energy: -488.960 where: short stacking energy: -299.986 Base-Backbone interact. energy: 1.383 local terms energy: -473.315442 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -132.999 flat angles C4'-P-C4' energy: -119.361 flat angles P-C4'-P energy: -71.463 tors. eta vs tors. theta energy: -11.351 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: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3257.815801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.815801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.815801 (E_RNA) where: Base-Base interactions energy: -2260.682 where: short stacking energy: -960.334 Base-Backbone interact. energy: -3.715 local terms energy: -993.419100 where: bonds (distance) C4'-P energy: -179.643 bonds (distance) P-C4' energy: -191.097 flat angles C4'-P-C4' energy: -215.057 flat angles P-C4'-P energy: -137.002 tors. eta vs tors. theta energy: -270.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3138.686805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.686805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.686805 (E_RNA) where: Base-Base interactions energy: -2155.551 where: short stacking energy: -938.285 Base-Backbone interact. energy: -4.635 local terms energy: -978.500575 where: bonds (distance) C4'-P energy: -171.234 bonds (distance) P-C4' energy: -167.549 flat angles C4'-P-C4' energy: -214.268 flat angles P-C4'-P energy: -140.234 tors. eta vs tors. theta energy: -285.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -3026.937180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.937180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.937180 (E_RNA) where: Base-Base interactions energy: -2123.261 where: short stacking energy: -894.535 Base-Backbone interact. energy: 0.713 local terms energy: -904.388404 where: bonds (distance) C4'-P energy: -155.060 bonds (distance) P-C4' energy: -183.323 flat angles C4'-P-C4' energy: -188.198 flat angles P-C4'-P energy: -115.502 tors. eta vs tors. theta energy: -262.305 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: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2890.764478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.764478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.764478 (E_RNA) where: Base-Base interactions energy: -1982.326 where: short stacking energy: -869.787 Base-Backbone interact. energy: -0.951 local terms energy: -907.487027 where: bonds (distance) C4'-P energy: -171.715 bonds (distance) P-C4' energy: -178.029 flat angles C4'-P-C4' energy: -193.467 flat angles P-C4'-P energy: -130.079 tors. eta vs tors. theta energy: -234.196 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: 5, replica: 5 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2687.623249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.623249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.623249 (E_RNA) where: Base-Base interactions energy: -1878.313 where: short stacking energy: -819.112 Base-Backbone interact. energy: -3.806 local terms energy: -805.504785 where: bonds (distance) C4'-P energy: -151.805 bonds (distance) P-C4' energy: -149.365 flat angles C4'-P-C4' energy: -166.109 flat angles P-C4'-P energy: -114.360 tors. eta vs tors. theta energy: -223.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2502.030616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.030616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.030616 (E_RNA) where: Base-Base interactions energy: -1693.350 where: short stacking energy: -732.629 Base-Backbone interact. energy: -2.987 local terms energy: -805.693862 where: bonds (distance) C4'-P energy: -168.989 bonds (distance) P-C4' energy: -180.389 flat angles C4'-P-C4' energy: -168.711 flat angles P-C4'-P energy: -109.483 tors. eta vs tors. theta energy: -178.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1880.865723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.865723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.865723 (E_RNA) where: Base-Base interactions energy: -1192.162 where: short stacking energy: -529.811 Base-Backbone interact. energy: -3.768 local terms energy: -684.935441 where: bonds (distance) C4'-P energy: -167.137 bonds (distance) P-C4' energy: -173.438 flat angles C4'-P-C4' energy: -156.702 flat angles P-C4'-P energy: -84.900 tors. eta vs tors. theta energy: -102.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1627.164140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.164140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.164140 (E_RNA) where: Base-Base interactions energy: -990.456 where: short stacking energy: -458.965 Base-Backbone interact. energy: 1.544 local terms energy: -638.252840 where: bonds (distance) C4'-P energy: -159.516 bonds (distance) P-C4' energy: -179.314 flat angles C4'-P-C4' energy: -127.044 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -72.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1009.253818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.253818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.253818 (E_RNA) where: Base-Base interactions energy: -533.196 where: short stacking energy: -280.102 Base-Backbone interact. energy: 5.261 local terms energy: -481.318580 where: bonds (distance) C4'-P energy: -143.012 bonds (distance) P-C4' energy: -163.586 flat angles C4'-P-C4' energy: -113.850 flat angles P-C4'-P energy: -74.181 tors. eta vs tors. theta energy: 13.310 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: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -877.307003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.307003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.307003 (E_RNA) where: Base-Base interactions energy: -444.973 where: short stacking energy: -269.028 Base-Backbone interact. energy: -3.023 local terms energy: -429.310616 where: bonds (distance) C4'-P energy: -135.068 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -98.775 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: 28.558 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: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3221.632880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.632880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.632880 (E_RNA) where: Base-Base interactions energy: -2232.716 where: short stacking energy: -955.764 Base-Backbone interact. energy: -3.953 local terms energy: -984.963225 where: bonds (distance) C4'-P energy: -169.272 bonds (distance) P-C4' energy: -183.488 flat angles C4'-P-C4' energy: -215.338 flat angles P-C4'-P energy: -149.492 tors. eta vs tors. theta energy: -267.373 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: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3163.169373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.169373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.169373 (E_RNA) where: Base-Base interactions energy: -2193.118 where: short stacking energy: -975.728 Base-Backbone interact. energy: -4.023 local terms energy: -966.028620 where: bonds (distance) C4'-P energy: -163.157 bonds (distance) P-C4' energy: -179.527 flat angles C4'-P-C4' energy: -208.684 flat angles P-C4'-P energy: -133.101 tors. eta vs tors. theta energy: -281.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2941.806411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.806411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.806411 (E_RNA) where: Base-Base interactions energy: -2042.257 where: short stacking energy: -892.194 Base-Backbone interact. energy: -6.184 local terms energy: -893.365066 where: bonds (distance) C4'-P energy: -146.812 bonds (distance) P-C4' energy: -173.899 flat angles C4'-P-C4' energy: -198.783 flat angles P-C4'-P energy: -124.900 tors. eta vs tors. theta energy: -248.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2856.773389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.773389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.773389 (E_RNA) where: Base-Base interactions energy: -1988.643 where: short stacking energy: -874.617 Base-Backbone interact. energy: -7.713 local terms energy: -860.418238 where: bonds (distance) C4'-P energy: -150.230 bonds (distance) P-C4' energy: -153.002 flat angles C4'-P-C4' energy: -184.857 flat angles P-C4'-P energy: -124.049 tors. eta vs tors. theta energy: -248.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2708.223910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.223910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.223910 (E_RNA) where: Base-Base interactions energy: -1839.570 where: short stacking energy: -795.638 Base-Backbone interact. energy: -5.674 local terms energy: -862.979139 where: bonds (distance) C4'-P energy: -158.608 bonds (distance) P-C4' energy: -176.722 flat angles C4'-P-C4' energy: -187.215 flat angles P-C4'-P energy: -119.735 tors. eta vs tors. theta energy: -220.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2523.536662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.536662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.536662 (E_RNA) where: Base-Base interactions energy: -1710.846 where: short stacking energy: -771.863 Base-Backbone interact. energy: -2.416 local terms energy: -810.274741 where: bonds (distance) C4'-P energy: -169.412 bonds (distance) P-C4' energy: -155.957 flat angles C4'-P-C4' energy: -178.488 flat angles P-C4'-P energy: -113.112 tors. eta vs tors. theta energy: -193.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1938.458452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.458452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.458452 (E_RNA) where: Base-Base interactions energy: -1239.472 where: short stacking energy: -563.395 Base-Backbone interact. energy: 2.529 local terms energy: -701.515402 where: bonds (distance) C4'-P energy: -152.470 bonds (distance) P-C4' energy: -162.711 flat angles C4'-P-C4' energy: -156.792 flat angles P-C4'-P energy: -95.777 tors. eta vs tors. theta energy: -133.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1588.037274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.037274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.037274 (E_RNA) where: Base-Base interactions energy: -957.942 where: short stacking energy: -455.895 Base-Backbone interact. energy: 2.130 local terms energy: -632.225169 where: bonds (distance) C4'-P energy: -159.285 bonds (distance) P-C4' energy: -149.195 flat angles C4'-P-C4' energy: -170.322 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -61.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1013.394018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.394018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.394018 (E_RNA) where: Base-Base interactions energy: -523.466 where: short stacking energy: -298.213 Base-Backbone interact. energy: 3.374 local terms energy: -493.301800 where: bonds (distance) C4'-P energy: -139.878 bonds (distance) P-C4' energy: -169.390 flat angles C4'-P-C4' energy: -108.336 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -7.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -880.265320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.265320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.265320 (E_RNA) where: Base-Base interactions energy: -421.750 where: short stacking energy: -253.912 Base-Backbone interact. energy: 1.711 local terms energy: -460.226362 where: bonds (distance) C4'-P energy: -136.630 bonds (distance) P-C4' energy: -146.520 flat angles C4'-P-C4' energy: -118.905 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3244.478046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.478046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.478046 (E_RNA) where: Base-Base interactions energy: -2211.653 where: short stacking energy: -942.961 Base-Backbone interact. energy: -6.346 local terms energy: -1026.479119 where: bonds (distance) C4'-P energy: -173.365 bonds (distance) P-C4' energy: -200.187 flat angles C4'-P-C4' energy: -223.051 flat angles P-C4'-P energy: -145.621 tors. eta vs tors. theta energy: -284.255 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: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3175.633977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.633977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.633977 (E_RNA) where: Base-Base interactions energy: -2176.826 where: short stacking energy: -975.167 Base-Backbone interact. energy: -4.441 local terms energy: -994.367578 where: bonds (distance) C4'-P energy: -198.321 bonds (distance) P-C4' energy: -170.279 flat angles C4'-P-C4' energy: -199.406 flat angles P-C4'-P energy: -137.927 tors. eta vs tors. theta energy: -288.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2963.957879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.957879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.957879 (E_RNA) where: Base-Base interactions energy: -2057.032 where: short stacking energy: -873.061 Base-Backbone interact. energy: -1.641 local terms energy: -905.284479 where: bonds (distance) C4'-P energy: -164.044 bonds (distance) P-C4' energy: -179.210 flat angles C4'-P-C4' energy: -188.267 flat angles P-C4'-P energy: -138.354 tors. eta vs tors. theta energy: -235.409 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: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2865.222410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.222410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.222410 (E_RNA) where: Base-Base interactions energy: -1930.146 where: short stacking energy: -823.878 Base-Backbone interact. energy: -4.437 local terms energy: -930.639103 where: bonds (distance) C4'-P energy: -173.646 bonds (distance) P-C4' energy: -179.348 flat angles C4'-P-C4' energy: -202.256 flat angles P-C4'-P energy: -145.766 tors. eta vs tors. theta energy: -229.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2714.373573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.373573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.373573 (E_RNA) where: Base-Base interactions energy: -1834.520 where: short stacking energy: -789.139 Base-Backbone interact. energy: 2.459 local terms energy: -882.312196 where: bonds (distance) C4'-P energy: -176.756 bonds (distance) P-C4' energy: -182.569 flat angles C4'-P-C4' energy: -187.150 flat angles P-C4'-P energy: -124.721 tors. eta vs tors. theta energy: -211.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2545.374999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.374999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.374999 (E_RNA) where: Base-Base interactions energy: -1727.029 where: short stacking energy: -738.583 Base-Backbone interact. energy: -2.495 local terms energy: -815.850521 where: bonds (distance) C4'-P energy: -152.821 bonds (distance) P-C4' energy: -167.236 flat angles C4'-P-C4' energy: -178.447 flat angles P-C4'-P energy: -122.230 tors. eta vs tors. theta energy: -195.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2001.624420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.624420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.624420 (E_RNA) where: Base-Base interactions energy: -1290.248 where: short stacking energy: -621.105 Base-Backbone interact. energy: -1.151 local terms energy: -710.225642 where: bonds (distance) C4'-P energy: -148.939 bonds (distance) P-C4' energy: -143.213 flat angles C4'-P-C4' energy: -174.994 flat angles P-C4'-P energy: -93.229 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: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1608.210622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.210622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.210622 (E_RNA) where: Base-Base interactions energy: -962.393 where: short stacking energy: -491.220 Base-Backbone interact. energy: -3.041 local terms energy: -642.777449 where: bonds (distance) C4'-P energy: -145.858 bonds (distance) P-C4' energy: -146.691 flat angles C4'-P-C4' energy: -142.633 flat angles P-C4'-P energy: -103.378 tors. eta vs tors. theta energy: -104.218 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: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1111.628664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.628664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.628664 (E_RNA) where: Base-Base interactions energy: -584.970 where: short stacking energy: -307.631 Base-Backbone interact. energy: 1.256 local terms energy: -527.915311 where: bonds (distance) C4'-P energy: -149.450 bonds (distance) P-C4' energy: -135.016 flat angles C4'-P-C4' energy: -148.292 flat angles P-C4'-P energy: -77.468 tors. eta vs tors. theta energy: -17.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -871.671675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.671675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.671675 (E_RNA) where: Base-Base interactions energy: -428.823 where: short stacking energy: -251.025 Base-Backbone interact. energy: 5.234 local terms energy: -448.082605 where: bonds (distance) C4'-P energy: -140.399 bonds (distance) P-C4' energy: -140.540 flat angles C4'-P-C4' energy: -134.694 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: 26.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3266.851855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.851855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.851855 (E_RNA) where: Base-Base interactions energy: -2218.448 where: short stacking energy: -938.548 Base-Backbone interact. energy: -5.998 local terms energy: -1042.406398 where: bonds (distance) C4'-P energy: -198.430 bonds (distance) P-C4' energy: -190.514 flat angles C4'-P-C4' energy: -221.217 flat angles P-C4'-P energy: -145.654 tors. eta vs tors. theta energy: -286.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3130.087971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.087971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.087971 (E_RNA) where: Base-Base interactions energy: -2160.295 where: short stacking energy: -964.816 Base-Backbone interact. energy: -4.378 local terms energy: -965.415135 where: bonds (distance) C4'-P energy: -181.443 bonds (distance) P-C4' energy: -168.713 flat angles C4'-P-C4' energy: -206.175 flat angles P-C4'-P energy: -144.203 tors. eta vs tors. theta energy: -264.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2967.070410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.070410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.070410 (E_RNA) where: Base-Base interactions energy: -2061.153 where: short stacking energy: -864.433 Base-Backbone interact. energy: -1.970 local terms energy: -903.947995 where: bonds (distance) C4'-P energy: -145.626 bonds (distance) P-C4' energy: -163.714 flat angles C4'-P-C4' energy: -211.026 flat angles P-C4'-P energy: -138.588 tors. eta vs tors. theta energy: -244.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2834.194582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.194582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.194582 (E_RNA) where: Base-Base interactions energy: -1943.290 where: short stacking energy: -848.317 Base-Backbone interact. energy: -0.100 local terms energy: -890.804224 where: bonds (distance) C4'-P energy: -160.984 bonds (distance) P-C4' energy: -176.255 flat angles C4'-P-C4' energy: -191.408 flat angles P-C4'-P energy: -126.228 tors. eta vs tors. theta energy: -235.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2708.539361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.539361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.539361 (E_RNA) where: Base-Base interactions energy: -1867.169 where: short stacking energy: -816.840 Base-Backbone interact. energy: 3.600 local terms energy: -844.970728 where: bonds (distance) C4'-P energy: -147.519 bonds (distance) P-C4' energy: -167.858 flat angles C4'-P-C4' energy: -191.943 flat angles P-C4'-P energy: -124.372 tors. eta vs tors. theta energy: -213.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2497.025317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.025317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.025317 (E_RNA) where: Base-Base interactions energy: -1683.818 where: short stacking energy: -715.665 Base-Backbone interact. energy: 2.504 local terms energy: -815.711294 where: bonds (distance) C4'-P energy: -160.535 bonds (distance) P-C4' energy: -169.288 flat angles C4'-P-C4' energy: -184.698 flat angles P-C4'-P energy: -105.635 tors. eta vs tors. theta energy: -195.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1895.508605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.508605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.508605 (E_RNA) where: Base-Base interactions energy: -1205.488 where: short stacking energy: -576.853 Base-Backbone interact. energy: -1.777 local terms energy: -688.243814 where: bonds (distance) C4'-P energy: -153.719 bonds (distance) P-C4' energy: -143.637 flat angles C4'-P-C4' energy: -162.788 flat angles P-C4'-P energy: -97.189 tors. eta vs tors. theta energy: -130.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1671.749204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.749204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.749204 (E_RNA) where: Base-Base interactions energy: -1046.175 where: short stacking energy: -449.359 Base-Backbone interact. energy: 0.781 local terms energy: -626.355261 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -156.198 flat angles C4'-P-C4' energy: -165.407 flat angles P-C4'-P energy: -84.431 tors. eta vs tors. theta energy: -74.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1128.319991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.319991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.319991 (E_RNA) where: Base-Base interactions energy: -625.658 where: short stacking energy: -332.926 Base-Backbone interact. energy: 8.114 local terms energy: -510.775751 where: bonds (distance) C4'-P energy: -124.488 bonds (distance) P-C4' energy: -157.500 flat angles C4'-P-C4' energy: -153.975 flat angles P-C4'-P energy: -71.576 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -908.188344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.188344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.188344 (E_RNA) where: Base-Base interactions energy: -426.628 where: short stacking energy: -276.344 Base-Backbone interact. energy: -2.277 local terms energy: -479.283604 where: bonds (distance) C4'-P energy: -133.077 bonds (distance) P-C4' energy: -160.924 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -61.812 tors. eta vs tors. theta energy: 12.438 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: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3223.718709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.718709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.718709 (E_RNA) where: Base-Base interactions energy: -2237.145 where: short stacking energy: -944.883 Base-Backbone interact. energy: -5.154 local terms energy: -981.418934 where: bonds (distance) C4'-P energy: -188.539 bonds (distance) P-C4' energy: -190.056 flat angles C4'-P-C4' energy: -193.791 flat angles P-C4'-P energy: -141.061 tors. eta vs tors. theta energy: -267.972 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: 1 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3187.619645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.619645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.619645 (E_RNA) where: Base-Base interactions energy: -2200.308 where: short stacking energy: -972.694 Base-Backbone interact. energy: -5.564 local terms energy: -981.747527 where: bonds (distance) C4'-P energy: -174.304 bonds (distance) P-C4' energy: -175.862 flat angles C4'-P-C4' energy: -203.225 flat angles P-C4'-P energy: -140.496 tors. eta vs tors. theta energy: -287.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2958.755769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.755769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.755769 (E_RNA) where: Base-Base interactions energy: -2052.420 where: short stacking energy: -840.868 Base-Backbone interact. energy: -5.863 local terms energy: -900.473316 where: bonds (distance) C4'-P energy: -169.690 bonds (distance) P-C4' energy: -177.703 flat angles C4'-P-C4' energy: -210.786 flat angles P-C4'-P energy: -117.000 tors. eta vs tors. theta energy: -225.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2925.812608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.812608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.812608 (E_RNA) where: Base-Base interactions energy: -1999.154 where: short stacking energy: -862.145 Base-Backbone interact. energy: -0.011 local terms energy: -926.647829 where: bonds (distance) C4'-P energy: -172.254 bonds (distance) P-C4' energy: -166.369 flat angles C4'-P-C4' energy: -214.265 flat angles P-C4'-P energy: -121.251 tors. eta vs tors. theta energy: -252.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2626.941612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.941612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.941612 (E_RNA) where: Base-Base interactions energy: -1787.100 where: short stacking energy: -744.381 Base-Backbone interact. energy: -2.573 local terms energy: -837.268293 where: bonds (distance) C4'-P energy: -176.423 bonds (distance) P-C4' energy: -153.355 flat angles C4'-P-C4' energy: -185.993 flat angles P-C4'-P energy: -118.202 tors. eta vs tors. theta energy: -203.295 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: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2583.676910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.676910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.676910 (E_RNA) where: Base-Base interactions energy: -1759.583 where: short stacking energy: -772.637 Base-Backbone interact. energy: -2.980 local terms energy: -821.114289 where: bonds (distance) C4'-P energy: -147.222 bonds (distance) P-C4' energy: -166.251 flat angles C4'-P-C4' energy: -180.392 flat angles P-C4'-P energy: -111.941 tors. eta vs tors. theta energy: -215.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1949.537047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.537047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.537047 (E_RNA) where: Base-Base interactions energy: -1247.695 where: short stacking energy: -564.399 Base-Backbone interact. energy: 0.135 local terms energy: -701.976354 where: bonds (distance) C4'-P energy: -168.325 bonds (distance) P-C4' energy: -153.884 flat angles C4'-P-C4' energy: -154.595 flat angles P-C4'-P energy: -97.904 tors. eta vs tors. theta energy: -127.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1642.399165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.399165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.399165 (E_RNA) where: Base-Base interactions energy: -981.898 where: short stacking energy: -477.731 Base-Backbone interact. energy: -3.658 local terms energy: -656.842829 where: bonds (distance) C4'-P energy: -145.061 bonds (distance) P-C4' energy: -160.404 flat angles C4'-P-C4' energy: -161.717 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -79.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1175.530616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.530616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.530616 (E_RNA) where: Base-Base interactions energy: -641.403 where: short stacking energy: -330.132 Base-Backbone interact. energy: 5.562 local terms energy: -539.689006 where: bonds (distance) C4'-P energy: -155.092 bonds (distance) P-C4' energy: -161.496 flat angles C4'-P-C4' energy: -134.010 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: -26.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -841.584596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.584596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.584596 (E_RNA) where: Base-Base interactions energy: -399.113 where: short stacking energy: -252.572 Base-Backbone interact. energy: -1.548 local terms energy: -440.923411 where: bonds (distance) C4'-P energy: -152.488 bonds (distance) P-C4' energy: -154.712 flat angles C4'-P-C4' energy: -111.493 flat angles P-C4'-P energy: -52.181 tors. eta vs tors. theta energy: 29.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3263.013733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.013733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.013733 (E_RNA) where: Base-Base interactions energy: -2291.251 where: short stacking energy: -965.238 Base-Backbone interact. energy: -5.980 local terms energy: -965.782478 where: bonds (distance) C4'-P energy: -182.615 bonds (distance) P-C4' energy: -182.117 flat angles C4'-P-C4' energy: -195.493 flat angles P-C4'-P energy: -136.629 tors. eta vs tors. theta energy: -268.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3165.265736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.265736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.265736 (E_RNA) where: Base-Base interactions energy: -2199.798 where: short stacking energy: -948.695 Base-Backbone interact. energy: -1.010 local terms energy: -964.457688 where: bonds (distance) C4'-P energy: -157.211 bonds (distance) P-C4' energy: -185.692 flat angles C4'-P-C4' energy: -197.336 flat angles P-C4'-P energy: -136.130 tors. eta vs tors. theta energy: -288.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2982.130854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.130854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.130854 (E_RNA) where: Base-Base interactions energy: -2053.865 where: short stacking energy: -895.723 Base-Backbone interact. energy: -3.406 local terms energy: -924.859617 where: bonds (distance) C4'-P energy: -170.253 bonds (distance) P-C4' energy: -166.559 flat angles C4'-P-C4' energy: -194.490 flat angles P-C4'-P energy: -130.152 tors. eta vs tors. theta energy: -263.407 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: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2904.428524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.428524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.428524 (E_RNA) where: Base-Base interactions energy: -2034.038 where: short stacking energy: -896.949 Base-Backbone interact. energy: -4.005 local terms energy: -866.384955 where: bonds (distance) C4'-P energy: -155.990 bonds (distance) P-C4' energy: -152.418 flat angles C4'-P-C4' energy: -182.036 flat angles P-C4'-P energy: -120.206 tors. eta vs tors. theta energy: -255.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2571.243817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.243817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.243817 (E_RNA) where: Base-Base interactions energy: -1764.814 where: short stacking energy: -722.494 Base-Backbone interact. energy: 1.554 local terms energy: -807.983642 where: bonds (distance) C4'-P energy: -171.980 bonds (distance) P-C4' energy: -154.224 flat angles C4'-P-C4' energy: -187.843 flat angles P-C4'-P energy: -110.326 tors. eta vs tors. theta energy: -183.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2571.634516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.634516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.634516 (E_RNA) where: Base-Base interactions energy: -1748.971 where: short stacking energy: -766.841 Base-Backbone interact. energy: -2.493 local terms energy: -820.170956 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -168.194 flat angles C4'-P-C4' energy: -180.495 flat angles P-C4'-P energy: -120.093 tors. eta vs tors. theta energy: -196.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1898.069619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.069619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.069619 (E_RNA) where: Base-Base interactions energy: -1223.043 where: short stacking energy: -580.295 Base-Backbone interact. energy: -4.317 local terms energy: -670.710145 where: bonds (distance) C4'-P energy: -131.876 bonds (distance) P-C4' energy: -163.595 flat angles C4'-P-C4' energy: -154.700 flat angles P-C4'-P energy: -101.637 tors. eta vs tors. theta energy: -118.902 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1628.967437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.967437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.967437 (E_RNA) where: Base-Base interactions energy: -1023.129 where: short stacking energy: -494.681 Base-Backbone interact. energy: 8.636 local terms energy: -614.474105 where: bonds (distance) C4'-P energy: -154.706 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -145.645 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: -87.833 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: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1185.226519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.226519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.226519 (E_RNA) where: Base-Base interactions energy: -630.593 where: short stacking energy: -362.085 Base-Backbone interact. energy: -1.407 local terms energy: -553.226379 where: bonds (distance) C4'-P energy: -138.134 bonds (distance) P-C4' energy: -152.865 flat angles C4'-P-C4' energy: -135.968 flat angles P-C4'-P energy: -86.733 tors. eta vs tors. theta energy: -39.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -843.550565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.550565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.550565 (E_RNA) where: Base-Base interactions energy: -382.417 where: short stacking energy: -241.594 Base-Backbone interact. energy: 3.034 local terms energy: -464.168006 where: bonds (distance) C4'-P energy: -135.089 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -116.422 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: 8.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3277.602388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.602388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.602388 (E_RNA) where: Base-Base interactions energy: -2291.526 where: short stacking energy: -960.993 Base-Backbone interact. energy: -6.678 local terms energy: -979.398777 where: bonds (distance) C4'-P energy: -182.293 bonds (distance) P-C4' energy: -182.621 flat angles C4'-P-C4' energy: -204.908 flat angles P-C4'-P energy: -129.968 tors. eta vs tors. theta energy: -279.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3146.925631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.925631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.925631 (E_RNA) where: Base-Base interactions energy: -2155.226 where: short stacking energy: -980.887 Base-Backbone interact. energy: -5.480 local terms energy: -986.219574 where: bonds (distance) C4'-P energy: -174.091 bonds (distance) P-C4' energy: -172.820 flat angles C4'-P-C4' energy: -210.811 flat angles P-C4'-P energy: -134.631 tors. eta vs tors. theta energy: -293.866 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: 438 Temperature: 1.000000 Total energy: -2973.650649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.650649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.650649 (E_RNA) where: Base-Base interactions energy: -2052.847 where: short stacking energy: -857.220 Base-Backbone interact. energy: -4.354 local terms energy: -916.449484 where: bonds (distance) C4'-P energy: -176.958 bonds (distance) P-C4' energy: -180.390 flat angles C4'-P-C4' energy: -200.714 flat angles P-C4'-P energy: -128.037 tors. eta vs tors. theta energy: -230.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2931.817378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.817378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.817378 (E_RNA) where: Base-Base interactions energy: -2050.361 where: short stacking energy: -890.588 Base-Backbone interact. energy: -0.253 local terms energy: -881.203280 where: bonds (distance) C4'-P energy: -162.127 bonds (distance) P-C4' energy: -160.749 flat angles C4'-P-C4' energy: -205.014 flat angles P-C4'-P energy: -112.824 tors. eta vs tors. theta energy: -240.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2646.188602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.188602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.188602 (E_RNA) where: Base-Base interactions energy: -1836.125 where: short stacking energy: -808.450 Base-Backbone interact. energy: -3.779 local terms energy: -806.285339 where: bonds (distance) C4'-P energy: -161.927 bonds (distance) P-C4' energy: -140.939 flat angles C4'-P-C4' energy: -182.996 flat angles P-C4'-P energy: -115.803 tors. eta vs tors. theta energy: -204.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2511.886311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.886311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.886311 (E_RNA) where: Base-Base interactions energy: -1689.592 where: short stacking energy: -719.843 Base-Backbone interact. energy: -1.195 local terms energy: -821.099504 where: bonds (distance) C4'-P energy: -170.109 bonds (distance) P-C4' energy: -161.991 flat angles C4'-P-C4' energy: -180.545 flat angles P-C4'-P energy: -102.292 tors. eta vs tors. theta energy: -206.163 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: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1904.122279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.122279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.122279 (E_RNA) where: Base-Base interactions energy: -1199.500 where: short stacking energy: -564.104 Base-Backbone interact. energy: -1.279 local terms energy: -703.342409 where: bonds (distance) C4'-P energy: -147.556 bonds (distance) P-C4' energy: -173.724 flat angles C4'-P-C4' energy: -171.414 flat angles P-C4'-P energy: -97.187 tors. eta vs tors. theta energy: -113.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1598.976172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.976172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.976172 (E_RNA) where: Base-Base interactions energy: -1012.951 where: short stacking energy: -466.678 Base-Backbone interact. energy: 2.321 local terms energy: -588.346465 where: bonds (distance) C4'-P energy: -137.928 bonds (distance) P-C4' energy: -138.829 flat angles C4'-P-C4' energy: -133.262 flat angles P-C4'-P energy: -98.474 tors. eta vs tors. theta energy: -79.855 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: 438 Temperature: 1.300000 Total energy: -1173.713863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.713863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.713863 (E_RNA) where: Base-Base interactions energy: -638.428 where: short stacking energy: -339.378 Base-Backbone interact. energy: -5.059 local terms energy: -530.226680 where: bonds (distance) C4'-P energy: -145.953 bonds (distance) P-C4' energy: -172.500 flat angles C4'-P-C4' energy: -119.973 flat angles P-C4'-P energy: -76.545 tors. eta vs tors. theta energy: -15.255 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: 6 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -966.484089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.484089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.484089 (E_RNA) where: Base-Base interactions energy: -492.189 where: short stacking energy: -274.233 Base-Backbone interact. energy: 2.130 local terms energy: -476.425487 where: bonds (distance) C4'-P energy: -139.634 bonds (distance) P-C4' energy: -154.462 flat angles C4'-P-C4' energy: -126.279 flat angles P-C4'-P energy: -60.550 tors. eta vs tors. theta energy: 4.500 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: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3247.790510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.790510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.790510 (E_RNA) where: Base-Base interactions energy: -2234.172 where: short stacking energy: -928.642 Base-Backbone interact. energy: -7.234 local terms energy: -1006.384966 where: bonds (distance) C4'-P energy: -174.068 bonds (distance) P-C4' energy: -197.912 flat angles C4'-P-C4' energy: -204.663 flat angles P-C4'-P energy: -151.486 tors. eta vs tors. theta energy: -278.255 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: 1 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3184.112480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.112480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.112480 (E_RNA) where: Base-Base interactions energy: -2166.903 where: short stacking energy: -982.253 Base-Backbone interact. energy: -10.515 local terms energy: -1006.695117 where: bonds (distance) C4'-P energy: -183.383 bonds (distance) P-C4' energy: -161.401 flat angles C4'-P-C4' energy: -215.846 flat angles P-C4'-P energy: -148.683 tors. eta vs tors. theta energy: -297.382 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: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -3078.688288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.688288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.688288 (E_RNA) where: Base-Base interactions energy: -2146.674 where: short stacking energy: -868.041 Base-Backbone interact. energy: -3.573 local terms energy: -928.441349 where: bonds (distance) C4'-P energy: -149.105 bonds (distance) P-C4' energy: -190.302 flat angles C4'-P-C4' energy: -187.730 flat angles P-C4'-P energy: -148.278 tors. eta vs tors. theta energy: -253.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2858.956996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.956996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.956996 (E_RNA) where: Base-Base interactions energy: -1967.645 where: short stacking energy: -856.918 Base-Backbone interact. energy: -0.770 local terms energy: -890.541165 where: bonds (distance) C4'-P energy: -153.585 bonds (distance) P-C4' energy: -161.260 flat angles C4'-P-C4' energy: -188.915 flat angles P-C4'-P energy: -132.661 tors. eta vs tors. theta energy: -254.120 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: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2723.172163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.172163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.172163 (E_RNA) where: Base-Base interactions energy: -1864.993 where: short stacking energy: -787.532 Base-Backbone interact. energy: -3.057 local terms energy: -855.121418 where: bonds (distance) C4'-P energy: -155.577 bonds (distance) P-C4' energy: -171.348 flat angles C4'-P-C4' energy: -178.390 flat angles P-C4'-P energy: -121.012 tors. eta vs tors. theta energy: -228.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2492.266785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.266785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.266785 (E_RNA) where: Base-Base interactions energy: -1682.693 where: short stacking energy: -735.999 Base-Backbone interact. energy: 2.521 local terms energy: -812.094773 where: bonds (distance) C4'-P energy: -151.465 bonds (distance) P-C4' energy: -162.754 flat angles C4'-P-C4' energy: -200.664 flat angles P-C4'-P energy: -97.837 tors. eta vs tors. theta energy: -199.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1886.339360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.339360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.339360 (E_RNA) where: Base-Base interactions energy: -1234.783 where: short stacking energy: -562.462 Base-Backbone interact. energy: -4.655 local terms energy: -646.901310 where: bonds (distance) C4'-P energy: -146.916 bonds (distance) P-C4' energy: -158.327 flat angles C4'-P-C4' energy: -160.921 flat angles P-C4'-P energy: -95.400 tors. eta vs tors. theta energy: -85.337 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: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1596.853536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.853536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.853536 (E_RNA) where: Base-Base interactions energy: -982.687 where: short stacking energy: -466.744 Base-Backbone interact. energy: -2.075 local terms energy: -612.092260 where: bonds (distance) C4'-P energy: -133.574 bonds (distance) P-C4' energy: -142.185 flat angles C4'-P-C4' energy: -148.729 flat angles P-C4'-P energy: -100.831 tors. eta vs tors. theta energy: -86.773 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: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1200.014710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.014710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.014710 (E_RNA) where: Base-Base interactions energy: -667.091 where: short stacking energy: -342.762 Base-Backbone interact. energy: -3.050 local terms energy: -529.874340 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -168.460 flat angles C4'-P-C4' energy: -139.020 flat angles P-C4'-P energy: -52.676 tors. eta vs tors. theta energy: -35.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -890.313209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.313209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.313209 (E_RNA) where: Base-Base interactions energy: -408.728 where: short stacking energy: -252.462 Base-Backbone interact. energy: 7.600 local terms energy: -489.185410 where: bonds (distance) C4'-P energy: -155.549 bonds (distance) P-C4' energy: -158.348 flat angles C4'-P-C4' energy: -134.752 flat angles P-C4'-P energy: -69.696 tors. eta vs tors. theta energy: 29.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3230.726925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.726925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.726925 (E_RNA) where: Base-Base interactions energy: -2214.580 where: short stacking energy: -945.648 Base-Backbone interact. energy: -2.958 local terms energy: -1013.188255 where: bonds (distance) C4'-P energy: -185.022 bonds (distance) P-C4' energy: -193.092 flat angles C4'-P-C4' energy: -214.482 flat angles P-C4'-P energy: -155.237 tors. eta vs tors. theta energy: -265.355 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: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3173.699687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.699687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.699687 (E_RNA) where: Base-Base interactions energy: -2195.412 where: short stacking energy: -992.381 Base-Backbone interact. energy: -1.812 local terms energy: -976.475393 where: bonds (distance) C4'-P energy: -173.118 bonds (distance) P-C4' energy: -183.713 flat angles C4'-P-C4' energy: -205.552 flat angles P-C4'-P energy: -125.324 tors. eta vs tors. theta energy: -288.769 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: 440 Temperature: 1.000000 Total energy: -3009.701423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.701423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.701423 (E_RNA) where: Base-Base interactions energy: -2096.972 where: short stacking energy: -920.666 Base-Backbone interact. energy: -3.816 local terms energy: -908.913565 where: bonds (distance) C4'-P energy: -161.171 bonds (distance) P-C4' energy: -167.332 flat angles C4'-P-C4' energy: -205.096 flat angles P-C4'-P energy: -118.153 tors. eta vs tors. theta energy: -257.161 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: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2835.120337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.120337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.120337 (E_RNA) where: Base-Base interactions energy: -1913.482 where: short stacking energy: -839.238 Base-Backbone interact. energy: -2.534 local terms energy: -919.105038 where: bonds (distance) C4'-P energy: -167.278 bonds (distance) P-C4' energy: -186.836 flat angles C4'-P-C4' energy: -196.210 flat angles P-C4'-P energy: -124.506 tors. eta vs tors. theta energy: -244.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2761.856879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.856879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.856879 (E_RNA) where: Base-Base interactions energy: -1906.780 where: short stacking energy: -839.420 Base-Backbone interact. energy: 2.280 local terms energy: -857.357064 where: bonds (distance) C4'-P energy: -147.249 bonds (distance) P-C4' energy: -140.643 flat angles C4'-P-C4' energy: -183.709 flat angles P-C4'-P energy: -132.006 tors. eta vs tors. theta energy: -253.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2556.617160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.617160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.617160 (E_RNA) where: Base-Base interactions energy: -1764.782 where: short stacking energy: -763.885 Base-Backbone interact. energy: 1.535 local terms energy: -793.370267 where: bonds (distance) C4'-P energy: -157.102 bonds (distance) P-C4' energy: -158.606 flat angles C4'-P-C4' energy: -175.502 flat angles P-C4'-P energy: -103.732 tors. eta vs tors. theta energy: -198.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1954.817997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.817997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.817997 (E_RNA) where: Base-Base interactions energy: -1263.965 where: short stacking energy: -569.665 Base-Backbone interact. energy: -2.846 local terms energy: -688.007841 where: bonds (distance) C4'-P energy: -142.493 bonds (distance) P-C4' energy: -166.816 flat angles C4'-P-C4' energy: -170.882 flat angles P-C4'-P energy: -102.631 tors. eta vs tors. theta energy: -105.185 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: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1602.650241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.650241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.650241 (E_RNA) where: Base-Base interactions energy: -1007.497 where: short stacking energy: -503.709 Base-Backbone interact. energy: -1.026 local terms energy: -594.127456 where: bonds (distance) C4'-P energy: -135.082 bonds (distance) P-C4' energy: -131.563 flat angles C4'-P-C4' energy: -148.649 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -87.213 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: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1335.893628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.893628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.893628 (E_RNA) where: Base-Base interactions energy: -789.339 where: short stacking energy: -385.908 Base-Backbone interact. energy: 2.023 local terms energy: -548.578152 where: bonds (distance) C4'-P energy: -151.519 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -123.908 flat angles P-C4'-P energy: -69.473 tors. eta vs tors. theta energy: -46.496 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: 6 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -750.871519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.871519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.871519 (E_RNA) where: Base-Base interactions energy: -327.299 where: short stacking energy: -236.422 Base-Backbone interact. energy: -0.284 local terms energy: -423.287895 where: bonds (distance) C4'-P energy: -134.623 bonds (distance) P-C4' energy: -135.586 flat angles C4'-P-C4' energy: -126.174 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: 24.058 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: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3248.012946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.012946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.012946 (E_RNA) where: Base-Base interactions energy: -2281.165 where: short stacking energy: -961.927 Base-Backbone interact. energy: -5.121 local terms energy: -961.727111 where: bonds (distance) C4'-P energy: -169.846 bonds (distance) P-C4' energy: -181.770 flat angles C4'-P-C4' energy: -211.044 flat angles P-C4'-P energy: -135.205 tors. eta vs tors. theta energy: -263.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3150.513807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.513807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.513807 (E_RNA) where: Base-Base interactions energy: -2196.251 where: short stacking energy: -967.374 Base-Backbone interact. energy: -3.278 local terms energy: -950.984687 where: bonds (distance) C4'-P energy: -159.184 bonds (distance) P-C4' energy: -179.306 flat angles C4'-P-C4' energy: -197.869 flat angles P-C4'-P energy: -139.482 tors. eta vs tors. theta energy: -275.144 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: 441 Temperature: 1.000000 Total energy: -2997.565119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.565119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.565119 (E_RNA) where: Base-Base interactions energy: -2097.548 where: short stacking energy: -881.815 Base-Backbone interact. energy: -5.052 local terms energy: -894.965292 where: bonds (distance) C4'-P energy: -155.668 bonds (distance) P-C4' energy: -188.194 flat angles C4'-P-C4' energy: -191.302 flat angles P-C4'-P energy: -119.275 tors. eta vs tors. theta energy: -240.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2817.308032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.308032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.308032 (E_RNA) where: Base-Base interactions energy: -1943.507 where: short stacking energy: -872.855 Base-Backbone interact. energy: -4.681 local terms energy: -869.120219 where: bonds (distance) C4'-P energy: -153.356 bonds (distance) P-C4' energy: -157.384 flat angles C4'-P-C4' energy: -197.643 flat angles P-C4'-P energy: -126.876 tors. eta vs tors. theta energy: -233.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2751.657727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.657727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.657727 (E_RNA) where: Base-Base interactions energy: -1902.132 where: short stacking energy: -780.985 Base-Backbone interact. energy: -2.070 local terms energy: -847.455611 where: bonds (distance) C4'-P energy: -152.369 bonds (distance) P-C4' energy: -180.577 flat angles C4'-P-C4' energy: -179.794 flat angles P-C4'-P energy: -113.619 tors. eta vs tors. theta energy: -221.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2523.573373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.573373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.573373 (E_RNA) where: Base-Base interactions energy: -1716.466 where: short stacking energy: -750.002 Base-Backbone interact. energy: -3.531 local terms energy: -803.575804 where: bonds (distance) C4'-P energy: -141.855 bonds (distance) P-C4' energy: -170.673 flat angles C4'-P-C4' energy: -191.781 flat angles P-C4'-P energy: -104.583 tors. eta vs tors. theta energy: -194.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1936.955666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.955666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.955666 (E_RNA) where: Base-Base interactions energy: -1288.673 where: short stacking energy: -600.045 Base-Backbone interact. energy: -3.060 local terms energy: -645.222529 where: bonds (distance) C4'-P energy: -108.703 bonds (distance) P-C4' energy: -160.471 flat angles C4'-P-C4' energy: -149.401 flat angles P-C4'-P energy: -104.938 tors. eta vs tors. theta energy: -121.710 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: 441 Temperature: 1.250000 Total energy: -1607.276262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.276262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.276262 (E_RNA) where: Base-Base interactions energy: -974.301 where: short stacking energy: -463.794 Base-Backbone interact. energy: 1.143 local terms energy: -634.119181 where: bonds (distance) C4'-P energy: -158.482 bonds (distance) P-C4' energy: -157.362 flat angles C4'-P-C4' energy: -154.280 flat angles P-C4'-P energy: -85.844 tors. eta vs tors. theta energy: -78.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1350.742274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.742274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.742274 (E_RNA) where: Base-Base interactions energy: -799.490 where: short stacking energy: -371.918 Base-Backbone interact. energy: -2.913 local terms energy: -548.339829 where: bonds (distance) C4'-P energy: -141.015 bonds (distance) P-C4' energy: -159.355 flat angles C4'-P-C4' energy: -131.815 flat angles P-C4'-P energy: -81.332 tors. eta vs tors. theta energy: -34.823 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: 6 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -772.988690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.988690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.988690 (E_RNA) where: Base-Base interactions energy: -296.661 where: short stacking energy: -203.008 Base-Backbone interact. energy: 2.503 local terms energy: -478.830928 where: bonds (distance) C4'-P energy: -137.005 bonds (distance) P-C4' energy: -154.043 flat angles C4'-P-C4' energy: -123.259 flat angles P-C4'-P energy: -81.269 tors. eta vs tors. theta energy: 16.745 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: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3222.380745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.380745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.380745 (E_RNA) where: Base-Base interactions energy: -2210.961 where: short stacking energy: -925.944 Base-Backbone interact. energy: -6.044 local terms energy: -1005.375571 where: bonds (distance) C4'-P energy: -178.938 bonds (distance) P-C4' energy: -196.986 flat angles C4'-P-C4' energy: -215.500 flat angles P-C4'-P energy: -135.576 tors. eta vs tors. theta energy: -278.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3139.679481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.679481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.679481 (E_RNA) where: Base-Base interactions energy: -2192.697 where: short stacking energy: -964.351 Base-Backbone interact. energy: -5.517 local terms energy: -941.466323 where: bonds (distance) C4'-P energy: -173.846 bonds (distance) P-C4' energy: -162.366 flat angles C4'-P-C4' energy: -198.794 flat angles P-C4'-P energy: -125.016 tors. eta vs tors. theta energy: -281.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -3000.410701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.410701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.410701 (E_RNA) where: Base-Base interactions energy: -2066.844 where: short stacking energy: -865.751 Base-Backbone interact. energy: -3.383 local terms energy: -930.183795 where: bonds (distance) C4'-P energy: -164.323 bonds (distance) P-C4' energy: -186.328 flat angles C4'-P-C4' energy: -187.858 flat angles P-C4'-P energy: -132.295 tors. eta vs tors. theta energy: -259.380 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: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2779.439381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.439381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.439381 (E_RNA) where: Base-Base interactions energy: -1939.816 where: short stacking energy: -838.468 Base-Backbone interact. energy: -7.357 local terms energy: -832.266230 where: bonds (distance) C4'-P energy: -125.661 bonds (distance) P-C4' energy: -173.803 flat angles C4'-P-C4' energy: -190.074 flat angles P-C4'-P energy: -121.721 tors. eta vs tors. theta energy: -221.006 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: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2737.185140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.185140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.185140 (E_RNA) where: Base-Base interactions energy: -1880.109 where: short stacking energy: -815.966 Base-Backbone interact. energy: -1.977 local terms energy: -855.099823 where: bonds (distance) C4'-P energy: -138.893 bonds (distance) P-C4' energy: -167.793 flat angles C4'-P-C4' energy: -191.523 flat angles P-C4'-P energy: -121.327 tors. eta vs tors. theta energy: -235.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2483.427881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.427881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.427881 (E_RNA) where: Base-Base interactions energy: -1710.356 where: short stacking energy: -721.411 Base-Backbone interact. energy: -2.890 local terms energy: -770.182629 where: bonds (distance) C4'-P energy: -161.233 bonds (distance) P-C4' energy: -163.293 flat angles C4'-P-C4' energy: -163.523 flat angles P-C4'-P energy: -118.365 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: 7, replica: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1982.780094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.780094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.780094 (E_RNA) where: Base-Base interactions energy: -1272.063 where: short stacking energy: -577.423 Base-Backbone interact. energy: 3.568 local terms energy: -714.285714 where: bonds (distance) C4'-P energy: -152.301 bonds (distance) P-C4' energy: -168.965 flat angles C4'-P-C4' energy: -171.067 flat angles P-C4'-P energy: -98.649 tors. eta vs tors. theta energy: -123.304 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: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1656.039956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.039956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.039956 (E_RNA) where: Base-Base interactions energy: -1019.919 where: short stacking energy: -500.860 Base-Backbone interact. energy: -2.348 local terms energy: -633.771989 where: bonds (distance) C4'-P energy: -150.466 bonds (distance) P-C4' energy: -138.013 flat angles C4'-P-C4' energy: -163.515 flat angles P-C4'-P energy: -81.132 tors. eta vs tors. theta energy: -100.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1355.178353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.178353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.178353 (E_RNA) where: Base-Base interactions energy: -810.122 where: short stacking energy: -389.734 Base-Backbone interact. energy: 4.709 local terms energy: -549.766013 where: bonds (distance) C4'-P energy: -141.384 bonds (distance) P-C4' energy: -157.881 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -101.824 tors. eta vs tors. theta energy: -32.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -796.729114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.729114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.729114 (E_RNA) where: Base-Base interactions energy: -340.165 where: short stacking energy: -246.549 Base-Backbone interact. energy: -1.171 local terms energy: -455.392403 where: bonds (distance) C4'-P energy: -129.335 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -125.190 flat angles P-C4'-P energy: -66.309 tors. eta vs tors. theta energy: 25.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3212.319997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.319997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.319997 (E_RNA) where: Base-Base interactions energy: -2258.313 where: short stacking energy: -935.777 Base-Backbone interact. energy: -6.705 local terms energy: -947.301434 where: bonds (distance) C4'-P energy: -168.949 bonds (distance) P-C4' energy: -190.978 flat angles C4'-P-C4' energy: -199.181 flat angles P-C4'-P energy: -129.546 tors. eta vs tors. theta energy: -258.646 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: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3108.517528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.517528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.517528 (E_RNA) where: Base-Base interactions energy: -2134.339 where: short stacking energy: -934.669 Base-Backbone interact. energy: -3.334 local terms energy: -970.844497 where: bonds (distance) C4'-P energy: -174.951 bonds (distance) P-C4' energy: -177.681 flat angles C4'-P-C4' energy: -200.094 flat angles P-C4'-P energy: -139.339 tors. eta vs tors. theta energy: -278.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -3046.406610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.406610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.406610 (E_RNA) where: Base-Base interactions energy: -2105.424 where: short stacking energy: -889.412 Base-Backbone interact. energy: -5.433 local terms energy: -935.550013 where: bonds (distance) C4'-P energy: -169.566 bonds (distance) P-C4' energy: -175.206 flat angles C4'-P-C4' energy: -203.990 flat angles P-C4'-P energy: -129.184 tors. eta vs tors. theta energy: -257.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2818.379393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.379393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.379393 (E_RNA) where: Base-Base interactions energy: -1921.422 where: short stacking energy: -864.069 Base-Backbone interact. energy: 2.993 local terms energy: -899.950654 where: bonds (distance) C4'-P energy: -151.008 bonds (distance) P-C4' energy: -176.435 flat angles C4'-P-C4' energy: -196.019 flat angles P-C4'-P energy: -143.241 tors. eta vs tors. theta energy: -233.248 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2725.637802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.637802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.637802 (E_RNA) where: Base-Base interactions energy: -1877.603 where: short stacking energy: -810.247 Base-Backbone interact. energy: -4.119 local terms energy: -843.916361 where: bonds (distance) C4'-P energy: -158.261 bonds (distance) P-C4' energy: -156.714 flat angles C4'-P-C4' energy: -188.181 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -222.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2554.027133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.027133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.027133 (E_RNA) where: Base-Base interactions energy: -1741.130 where: short stacking energy: -744.057 Base-Backbone interact. energy: -3.403 local terms energy: -809.493754 where: bonds (distance) C4'-P energy: -158.133 bonds (distance) P-C4' energy: -175.032 flat angles C4'-P-C4' energy: -182.202 flat angles P-C4'-P energy: -108.046 tors. eta vs tors. theta energy: -186.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2015.761181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.761181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.761181 (E_RNA) where: Base-Base interactions energy: -1307.626 where: short stacking energy: -564.882 Base-Backbone interact. energy: -4.165 local terms energy: -703.970118 where: bonds (distance) C4'-P energy: -155.337 bonds (distance) P-C4' energy: -152.515 flat angles C4'-P-C4' energy: -164.241 flat angles P-C4'-P energy: -105.802 tors. eta vs tors. theta energy: -126.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1668.874600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.874600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.874600 (E_RNA) where: Base-Base interactions energy: -1044.755 where: short stacking energy: -507.606 Base-Backbone interact. energy: 1.278 local terms energy: -625.397908 where: bonds (distance) C4'-P energy: -143.933 bonds (distance) P-C4' energy: -150.123 flat angles C4'-P-C4' energy: -165.303 flat angles P-C4'-P energy: -80.097 tors. eta vs tors. theta energy: -85.942 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: 443 Temperature: 1.300000 Total energy: -1303.162850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.162850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.162850 (E_RNA) where: Base-Base interactions energy: -768.243 where: short stacking energy: -390.542 Base-Backbone interact. energy: -0.901 local terms energy: -534.019366 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -135.150 flat angles C4'-P-C4' energy: -149.205 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -47.833 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: 6 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -808.910683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.910683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.910683 (E_RNA) where: Base-Base interactions energy: -307.931 where: short stacking energy: -215.943 Base-Backbone interact. energy: 1.276 local terms energy: -502.254953 where: bonds (distance) C4'-P energy: -143.699 bonds (distance) P-C4' energy: -167.631 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: 6.782 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: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3246.413764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.413764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.413764 (E_RNA) where: Base-Base interactions energy: -2219.099 where: short stacking energy: -992.226 Base-Backbone interact. energy: -4.209 local terms energy: -1023.105983 where: bonds (distance) C4'-P energy: -189.067 bonds (distance) P-C4' energy: -198.841 flat angles C4'-P-C4' energy: -206.181 flat angles P-C4'-P energy: -142.863 tors. eta vs tors. theta energy: -286.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3137.585285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.585285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.585285 (E_RNA) where: Base-Base interactions energy: -2172.195 where: short stacking energy: -914.108 Base-Backbone interact. energy: -3.880 local terms energy: -961.510268 where: bonds (distance) C4'-P energy: -166.609 bonds (distance) P-C4' energy: -189.563 flat angles C4'-P-C4' energy: -210.867 flat angles P-C4'-P energy: -130.272 tors. eta vs tors. theta energy: -264.200 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: 444 Temperature: 1.000000 Total energy: -3009.216608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.216608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.216608 (E_RNA) where: Base-Base interactions energy: -2061.768 where: short stacking energy: -892.916 Base-Backbone interact. energy: 4.108 local terms energy: -951.557228 where: bonds (distance) C4'-P energy: -177.588 bonds (distance) P-C4' energy: -186.881 flat angles C4'-P-C4' energy: -210.995 flat angles P-C4'-P energy: -123.336 tors. eta vs tors. theta energy: -252.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2858.199783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.199783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.199783 (E_RNA) where: Base-Base interactions energy: -1971.648 where: short stacking energy: -858.833 Base-Backbone interact. energy: -4.477 local terms energy: -882.075090 where: bonds (distance) C4'-P energy: -160.101 bonds (distance) P-C4' energy: -171.890 flat angles C4'-P-C4' energy: -200.606 flat angles P-C4'-P energy: -119.874 tors. eta vs tors. theta energy: -229.605 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: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2707.756665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.756665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.756665 (E_RNA) where: Base-Base interactions energy: -1824.600 where: short stacking energy: -816.384 Base-Backbone interact. energy: -0.484 local terms energy: -882.671750 where: bonds (distance) C4'-P energy: -176.593 bonds (distance) P-C4' energy: -160.861 flat angles C4'-P-C4' energy: -194.890 flat angles P-C4'-P energy: -113.014 tors. eta vs tors. theta energy: -237.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2481.398174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.398174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.398174 (E_RNA) where: Base-Base interactions energy: -1694.439 where: short stacking energy: -732.126 Base-Backbone interact. energy: -1.683 local terms energy: -785.276072 where: bonds (distance) C4'-P energy: -150.224 bonds (distance) P-C4' energy: -146.066 flat angles C4'-P-C4' energy: -177.004 flat angles P-C4'-P energy: -118.967 tors. eta vs tors. theta energy: -193.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2021.199920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.199920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.199920 (E_RNA) where: Base-Base interactions energy: -1342.595 where: short stacking energy: -620.460 Base-Backbone interact. energy: -1.755 local terms energy: -676.849615 where: bonds (distance) C4'-P energy: -162.552 bonds (distance) P-C4' energy: -142.428 flat angles C4'-P-C4' energy: -149.720 flat angles P-C4'-P energy: -83.124 tors. eta vs tors. theta energy: -139.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1613.207217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.207217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.207217 (E_RNA) where: Base-Base interactions energy: -997.089 where: short stacking energy: -487.432 Base-Backbone interact. energy: 5.756 local terms energy: -621.874264 where: bonds (distance) C4'-P energy: -150.642 bonds (distance) P-C4' energy: -147.148 flat angles C4'-P-C4' energy: -151.777 flat angles P-C4'-P energy: -101.666 tors. eta vs tors. theta energy: -70.642 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: 444 Temperature: 1.300000 Total energy: -1206.652369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.652369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.652369 (E_RNA) where: Base-Base interactions energy: -693.690 where: short stacking energy: -330.888 Base-Backbone interact. energy: -3.496 local terms energy: -509.465652 where: bonds (distance) C4'-P energy: -113.121 bonds (distance) P-C4' energy: -153.064 flat angles C4'-P-C4' energy: -156.818 flat angles P-C4'-P energy: -66.715 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -806.011425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.011425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.011425 (E_RNA) where: Base-Base interactions energy: -336.649 where: short stacking energy: -246.185 Base-Backbone interact. energy: 3.047 local terms energy: -472.409479 where: bonds (distance) C4'-P energy: -125.011 bonds (distance) P-C4' energy: -154.514 flat angles C4'-P-C4' energy: -134.599 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: 11.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3213.118718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.118718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.118718 (E_RNA) where: Base-Base interactions energy: -2201.213 where: short stacking energy: -974.709 Base-Backbone interact. energy: -1.802 local terms energy: -1010.103991 where: bonds (distance) C4'-P energy: -179.269 bonds (distance) P-C4' energy: -188.993 flat angles C4'-P-C4' energy: -212.490 flat angles P-C4'-P energy: -149.699 tors. eta vs tors. theta energy: -279.653 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: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3129.187036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.187036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.187036 (E_RNA) where: Base-Base interactions energy: -2176.142 where: short stacking energy: -922.352 Base-Backbone interact. energy: -1.315 local terms energy: -951.730255 where: bonds (distance) C4'-P energy: -169.213 bonds (distance) P-C4' energy: -175.986 flat angles C4'-P-C4' energy: -195.833 flat angles P-C4'-P energy: -144.214 tors. eta vs tors. theta energy: -266.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2998.568724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.568724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.568724 (E_RNA) where: Base-Base interactions energy: -2060.243 where: short stacking energy: -890.928 Base-Backbone interact. energy: -4.948 local terms energy: -933.378091 where: bonds (distance) C4'-P energy: -155.939 bonds (distance) P-C4' energy: -185.921 flat angles C4'-P-C4' energy: -186.922 flat angles P-C4'-P energy: -141.219 tors. eta vs tors. theta energy: -263.377 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: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2832.886896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.886896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.886896 (E_RNA) where: Base-Base interactions energy: -1905.384 where: short stacking energy: -863.054 Base-Backbone interact. energy: 0.805 local terms energy: -928.307470 where: bonds (distance) C4'-P energy: -155.345 bonds (distance) P-C4' energy: -181.213 flat angles C4'-P-C4' energy: -202.792 flat angles P-C4'-P energy: -150.068 tors. eta vs tors. theta energy: -238.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2746.692635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.692635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.692635 (E_RNA) where: Base-Base interactions energy: -1864.310 where: short stacking energy: -787.920 Base-Backbone interact. energy: -1.019 local terms energy: -881.363403 where: bonds (distance) C4'-P energy: -143.438 bonds (distance) P-C4' energy: -176.373 flat angles C4'-P-C4' energy: -196.183 flat angles P-C4'-P energy: -140.668 tors. eta vs tors. theta energy: -224.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2504.819292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.819292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.819292 (E_RNA) where: Base-Base interactions energy: -1732.035 where: short stacking energy: -733.290 Base-Backbone interact. energy: -2.637 local terms energy: -770.147484 where: bonds (distance) C4'-P energy: -144.549 bonds (distance) P-C4' energy: -146.722 flat angles C4'-P-C4' energy: -184.654 flat angles P-C4'-P energy: -114.029 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: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2130.143493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.143493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.143493 (E_RNA) where: Base-Base interactions energy: -1415.791 where: short stacking energy: -618.256 Base-Backbone interact. energy: -3.778 local terms energy: -710.574876 where: bonds (distance) C4'-P energy: -132.411 bonds (distance) P-C4' energy: -148.498 flat angles C4'-P-C4' energy: -174.081 flat angles P-C4'-P energy: -105.082 tors. eta vs tors. theta energy: -150.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1589.525868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.525868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.525868 (E_RNA) where: Base-Base interactions energy: -956.848 where: short stacking energy: -448.874 Base-Backbone interact. energy: 4.155 local terms energy: -636.833415 where: bonds (distance) C4'-P energy: -166.122 bonds (distance) P-C4' energy: -167.584 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -90.492 tors. eta vs tors. theta energy: -61.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1218.083923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.083923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.083923 (E_RNA) where: Base-Base interactions energy: -726.838 where: short stacking energy: -358.313 Base-Backbone interact. energy: -1.653 local terms energy: -489.592844 where: bonds (distance) C4'-P energy: -120.806 bonds (distance) P-C4' energy: -147.686 flat angles C4'-P-C4' energy: -124.535 flat angles P-C4'-P energy: -64.606 tors. eta vs tors. theta energy: -31.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -812.130161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.130161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.130161 (E_RNA) where: Base-Base interactions energy: -368.340 where: short stacking energy: -244.037 Base-Backbone interact. energy: -3.792 local terms energy: -439.998135 where: bonds (distance) C4'-P energy: -141.196 bonds (distance) P-C4' energy: -138.209 flat angles C4'-P-C4' energy: -128.735 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: 40.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3219.232613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.232613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.232613 (E_RNA) where: Base-Base interactions energy: -2213.263 where: short stacking energy: -974.549 Base-Backbone interact. energy: -4.668 local terms energy: -1001.301746 where: bonds (distance) C4'-P energy: -174.077 bonds (distance) P-C4' energy: -196.600 flat angles C4'-P-C4' energy: -218.395 flat angles P-C4'-P energy: -145.007 tors. eta vs tors. theta energy: -267.222 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: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3112.401746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.401746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.401746 (E_RNA) where: Base-Base interactions energy: -2142.325 where: short stacking energy: -905.531 Base-Backbone interact. energy: -3.677 local terms energy: -966.399840 where: bonds (distance) C4'-P energy: -187.885 bonds (distance) P-C4' energy: -191.595 flat angles C4'-P-C4' energy: -188.274 flat angles P-C4'-P energy: -137.254 tors. eta vs tors. theta energy: -261.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2981.046287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.046287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.046287 (E_RNA) where: Base-Base interactions energy: -2023.181 where: short stacking energy: -888.251 Base-Backbone interact. energy: -2.568 local terms energy: -955.296797 where: bonds (distance) C4'-P energy: -168.840 bonds (distance) P-C4' energy: -186.810 flat angles C4'-P-C4' energy: -198.480 flat angles P-C4'-P energy: -136.934 tors. eta vs tors. theta energy: -264.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2791.437929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.437929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.437929 (E_RNA) where: Base-Base interactions energy: -1881.760 where: short stacking energy: -839.482 Base-Backbone interact. energy: 1.337 local terms energy: -911.015023 where: bonds (distance) C4'-P energy: -176.521 bonds (distance) P-C4' energy: -181.466 flat angles C4'-P-C4' energy: -193.432 flat angles P-C4'-P energy: -127.092 tors. eta vs tors. theta energy: -232.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2690.050947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.050947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.050947 (E_RNA) where: Base-Base interactions energy: -1858.455 where: short stacking energy: -798.101 Base-Backbone interact. energy: 0.233 local terms energy: -831.829518 where: bonds (distance) C4'-P energy: -138.160 bonds (distance) P-C4' energy: -166.613 flat angles C4'-P-C4' energy: -176.806 flat angles P-C4'-P energy: -130.471 tors. eta vs tors. theta energy: -219.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2409.933046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.933046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.933046 (E_RNA) where: Base-Base interactions energy: -1624.582 where: short stacking energy: -710.200 Base-Backbone interact. energy: -2.265 local terms energy: -783.086101 where: bonds (distance) C4'-P energy: -160.680 bonds (distance) P-C4' energy: -145.766 flat angles C4'-P-C4' energy: -167.255 flat angles P-C4'-P energy: -129.349 tors. eta vs tors. theta energy: -180.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2115.835412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.835412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.835412 (E_RNA) where: Base-Base interactions energy: -1382.237 where: short stacking energy: -610.918 Base-Backbone interact. energy: -0.148 local terms energy: -733.450384 where: bonds (distance) C4'-P energy: -162.689 bonds (distance) P-C4' energy: -159.053 flat angles C4'-P-C4' energy: -168.591 flat angles P-C4'-P energy: -99.839 tors. eta vs tors. theta energy: -143.279 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: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1592.223696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.223696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.223696 (E_RNA) where: Base-Base interactions energy: -950.876 where: short stacking energy: -423.938 Base-Backbone interact. energy: -4.270 local terms energy: -637.077647 where: bonds (distance) C4'-P energy: -163.387 bonds (distance) P-C4' energy: -151.393 flat angles C4'-P-C4' energy: -167.276 flat angles P-C4'-P energy: -94.711 tors. eta vs tors. theta energy: -60.310 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: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1264.237429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.237429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.237429 (E_RNA) where: Base-Base interactions energy: -710.236 where: short stacking energy: -380.194 Base-Backbone interact. energy: 5.705 local terms energy: -559.706316 where: bonds (distance) C4'-P energy: -146.059 bonds (distance) P-C4' energy: -174.783 flat angles C4'-P-C4' energy: -135.233 flat angles P-C4'-P energy: -82.702 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: 6 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -793.736100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.736100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.736100 (E_RNA) where: Base-Base interactions energy: -310.800 where: short stacking energy: -231.197 Base-Backbone interact. energy: 1.986 local terms energy: -484.922118 where: bonds (distance) C4'-P energy: -130.273 bonds (distance) P-C4' energy: -151.163 flat angles C4'-P-C4' energy: -144.142 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: 20.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3220.272338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.272338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.272338 (E_RNA) where: Base-Base interactions energy: -2185.382 where: short stacking energy: -951.469 Base-Backbone interact. energy: -6.095 local terms energy: -1028.795147 where: bonds (distance) C4'-P energy: -192.295 bonds (distance) P-C4' energy: -192.546 flat angles C4'-P-C4' energy: -218.764 flat angles P-C4'-P energy: -146.819 tors. eta vs tors. theta energy: -278.371 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: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3121.241043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.241043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.241043 (E_RNA) where: Base-Base interactions energy: -2194.157 where: short stacking energy: -903.858 Base-Backbone interact. energy: -4.360 local terms energy: -922.723682 where: bonds (distance) C4'-P energy: -165.758 bonds (distance) P-C4' energy: -184.593 flat angles C4'-P-C4' energy: -194.871 flat angles P-C4'-P energy: -135.412 tors. eta vs tors. theta energy: -242.090 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: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2995.270587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.270587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.270587 (E_RNA) where: Base-Base interactions energy: -2053.348 where: short stacking energy: -874.134 Base-Backbone interact. energy: -2.698 local terms energy: -939.224656 where: bonds (distance) C4'-P energy: -182.332 bonds (distance) P-C4' energy: -171.090 flat angles C4'-P-C4' energy: -200.014 flat angles P-C4'-P energy: -130.589 tors. eta vs tors. theta energy: -255.200 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: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2829.279631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.279631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.279631 (E_RNA) where: Base-Base interactions energy: -1941.337 where: short stacking energy: -846.128 Base-Backbone interact. energy: -2.734 local terms energy: -885.208719 where: bonds (distance) C4'-P energy: -154.403 bonds (distance) P-C4' energy: -163.955 flat angles C4'-P-C4' energy: -194.938 flat angles P-C4'-P energy: -124.638 tors. eta vs tors. theta energy: -247.274 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2643.128374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.128374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.128374 (E_RNA) where: Base-Base interactions energy: -1827.628 where: short stacking energy: -779.899 Base-Backbone interact. energy: 6.176 local terms energy: -821.676521 where: bonds (distance) C4'-P energy: -160.847 bonds (distance) P-C4' energy: -149.192 flat angles C4'-P-C4' energy: -183.237 flat angles P-C4'-P energy: -119.534 tors. eta vs tors. theta energy: -208.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2421.470898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.470898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.470898 (E_RNA) where: Base-Base interactions energy: -1661.744 where: short stacking energy: -716.338 Base-Backbone interact. energy: 0.860 local terms energy: -760.586528 where: bonds (distance) C4'-P energy: -147.258 bonds (distance) P-C4' energy: -158.766 flat angles C4'-P-C4' energy: -180.200 flat angles P-C4'-P energy: -110.895 tors. eta vs tors. theta energy: -163.468 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: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2124.543937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.543937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.543937 (E_RNA) where: Base-Base interactions energy: -1398.968 where: short stacking energy: -607.549 Base-Backbone interact. energy: -1.434 local terms energy: -724.141899 where: bonds (distance) C4'-P energy: -138.407 bonds (distance) P-C4' energy: -162.797 flat angles C4'-P-C4' energy: -154.127 flat angles P-C4'-P energy: -118.489 tors. eta vs tors. theta energy: -150.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1612.161615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.161615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.161615 (E_RNA) where: Base-Base interactions energy: -997.215 where: short stacking energy: -476.192 Base-Backbone interact. energy: -2.678 local terms energy: -612.268178 where: bonds (distance) C4'-P energy: -134.978 bonds (distance) P-C4' energy: -167.021 flat angles C4'-P-C4' energy: -137.407 flat angles P-C4'-P energy: -76.793 tors. eta vs tors. theta energy: -96.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1226.388554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.388554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.388554 (E_RNA) where: Base-Base interactions energy: -684.308 where: short stacking energy: -371.179 Base-Backbone interact. energy: -5.332 local terms energy: -536.748454 where: bonds (distance) C4'-P energy: -146.378 bonds (distance) P-C4' energy: -169.703 flat angles C4'-P-C4' energy: -139.113 flat angles P-C4'-P energy: -76.058 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -819.190286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.190286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.190286 (E_RNA) where: Base-Base interactions energy: -356.205 where: short stacking energy: -255.831 Base-Backbone interact. energy: -6.122 local terms energy: -456.863374 where: bonds (distance) C4'-P energy: -145.444 bonds (distance) P-C4' energy: -162.169 flat angles C4'-P-C4' energy: -109.570 flat angles P-C4'-P energy: -49.259 tors. eta vs tors. theta energy: 9.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3225.713063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.713063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.713063 (E_RNA) where: Base-Base interactions energy: -2213.337 where: short stacking energy: -994.606 Base-Backbone interact. energy: -1.191 local terms energy: -1011.184986 where: bonds (distance) C4'-P energy: -182.500 bonds (distance) P-C4' energy: -181.020 flat angles C4'-P-C4' energy: -206.819 flat angles P-C4'-P energy: -150.697 tors. eta vs tors. theta energy: -290.149 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: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3089.797168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.797168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.797168 (E_RNA) where: Base-Base interactions energy: -2160.472 where: short stacking energy: -888.940 Base-Backbone interact. energy: -7.674 local terms energy: -921.651202 where: bonds (distance) C4'-P energy: -171.851 bonds (distance) P-C4' energy: -174.131 flat angles C4'-P-C4' energy: -196.677 flat angles P-C4'-P energy: -127.433 tors. eta vs tors. theta energy: -251.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -3025.772628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.772628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.772628 (E_RNA) where: Base-Base interactions energy: -2076.984 where: short stacking energy: -909.895 Base-Backbone interact. energy: -0.933 local terms energy: -947.855977 where: bonds (distance) C4'-P energy: -176.543 bonds (distance) P-C4' energy: -172.634 flat angles C4'-P-C4' energy: -206.062 flat angles P-C4'-P energy: -133.428 tors. eta vs tors. theta energy: -259.189 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: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2807.066625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.066625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.066625 (E_RNA) where: Base-Base interactions energy: -1917.816 where: short stacking energy: -849.055 Base-Backbone interact. energy: 7.684 local terms energy: -896.934114 where: bonds (distance) C4'-P energy: -151.652 bonds (distance) P-C4' energy: -174.162 flat angles C4'-P-C4' energy: -199.421 flat angles P-C4'-P energy: -121.349 tors. eta vs tors. theta energy: -250.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2607.773085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.773085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.773085 (E_RNA) where: Base-Base interactions energy: -1797.047 where: short stacking energy: -781.318 Base-Backbone interact. energy: 3.590 local terms energy: -814.315380 where: bonds (distance) C4'-P energy: -139.823 bonds (distance) P-C4' energy: -167.529 flat angles C4'-P-C4' energy: -196.620 flat angles P-C4'-P energy: -118.638 tors. eta vs tors. theta energy: -191.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2514.696750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.696750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.696750 (E_RNA) where: Base-Base interactions energy: -1714.951 where: short stacking energy: -750.729 Base-Backbone interact. energy: -2.824 local terms energy: -796.921562 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -160.835 flat angles C4'-P-C4' energy: -180.394 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -207.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2041.563208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.563208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.563208 (E_RNA) where: Base-Base interactions energy: -1315.682 where: short stacking energy: -610.124 Base-Backbone interact. energy: 0.494 local terms energy: -726.375017 where: bonds (distance) C4'-P energy: -139.476 bonds (distance) P-C4' energy: -164.266 flat angles C4'-P-C4' energy: -174.009 flat angles P-C4'-P energy: -112.493 tors. eta vs tors. theta energy: -136.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1674.394746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.394746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.394746 (E_RNA) where: Base-Base interactions energy: -1001.373 where: short stacking energy: -492.218 Base-Backbone interact. energy: -4.495 local terms energy: -668.526667 where: bonds (distance) C4'-P energy: -151.173 bonds (distance) P-C4' energy: -138.637 flat angles C4'-P-C4' energy: -165.843 flat angles P-C4'-P energy: -110.628 tors. eta vs tors. theta energy: -102.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1261.175802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.175802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.175802 (E_RNA) where: Base-Base interactions energy: -696.348 where: short stacking energy: -372.920 Base-Backbone interact. energy: -0.835 local terms energy: -563.992040 where: bonds (distance) C4'-P energy: -139.032 bonds (distance) P-C4' energy: -152.536 flat angles C4'-P-C4' energy: -136.759 flat angles P-C4'-P energy: -103.447 tors. eta vs tors. theta energy: -32.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -798.004912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.004912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.004912 (E_RNA) where: Base-Base interactions energy: -354.760 where: short stacking energy: -242.968 Base-Backbone interact. energy: 1.724 local terms energy: -444.968655 where: bonds (distance) C4'-P energy: -127.647 bonds (distance) P-C4' energy: -133.108 flat angles C4'-P-C4' energy: -105.597 flat angles P-C4'-P energy: -80.738 tors. eta vs tors. theta energy: 2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3215.139843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.139843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.139843 (E_RNA) where: Base-Base interactions energy: -2209.151 where: short stacking energy: -1004.840 Base-Backbone interact. energy: -4.984 local terms energy: -1001.004766 where: bonds (distance) C4'-P energy: -177.100 bonds (distance) P-C4' energy: -180.676 flat angles C4'-P-C4' energy: -216.912 flat angles P-C4'-P energy: -134.988 tors. eta vs tors. theta energy: -291.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3065.567989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.567989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.567989 (E_RNA) where: Base-Base interactions energy: -2130.782 where: short stacking energy: -922.338 Base-Backbone interact. energy: -1.706 local terms energy: -933.080786 where: bonds (distance) C4'-P energy: -172.096 bonds (distance) P-C4' energy: -179.195 flat angles C4'-P-C4' energy: -202.178 flat angles P-C4'-P energy: -132.699 tors. eta vs tors. theta energy: -246.912 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: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -3014.231942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.231942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.231942 (E_RNA) where: Base-Base interactions energy: -2071.347 where: short stacking energy: -925.714 Base-Backbone interact. energy: -5.441 local terms energy: -937.444136 where: bonds (distance) C4'-P energy: -167.954 bonds (distance) P-C4' energy: -171.562 flat angles C4'-P-C4' energy: -207.529 flat angles P-C4'-P energy: -128.687 tors. eta vs tors. theta energy: -261.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2804.510027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.510027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.510027 (E_RNA) where: Base-Base interactions energy: -1917.992 where: short stacking energy: -843.568 Base-Backbone interact. energy: 1.619 local terms energy: -888.137102 where: bonds (distance) C4'-P energy: -166.804 bonds (distance) P-C4' energy: -162.438 flat angles C4'-P-C4' energy: -184.436 flat angles P-C4'-P energy: -138.129 tors. eta vs tors. theta energy: -236.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2688.086129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.086129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.086129 (E_RNA) where: Base-Base interactions energy: -1858.617 where: short stacking energy: -788.350 Base-Backbone interact. energy: -1.998 local terms energy: -827.470581 where: bonds (distance) C4'-P energy: -154.450 bonds (distance) P-C4' energy: -162.342 flat angles C4'-P-C4' energy: -198.696 flat angles P-C4'-P energy: -102.464 tors. eta vs tors. theta energy: -209.519 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: 449 Temperature: 1.150000 Total energy: -2580.933403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.933403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.933403 (E_RNA) where: Base-Base interactions energy: -1761.969 where: short stacking energy: -803.955 Base-Backbone interact. energy: 4.661 local terms energy: -823.625414 where: bonds (distance) C4'-P energy: -160.083 bonds (distance) P-C4' energy: -159.810 flat angles C4'-P-C4' energy: -192.126 flat angles P-C4'-P energy: -105.339 tors. eta vs tors. theta energy: -206.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2064.112960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.112960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.112960 (E_RNA) where: Base-Base interactions energy: -1318.744 where: short stacking energy: -618.272 Base-Backbone interact. energy: -3.713 local terms energy: -741.655445 where: bonds (distance) C4'-P energy: -140.985 bonds (distance) P-C4' energy: -176.134 flat angles C4'-P-C4' energy: -186.903 flat angles P-C4'-P energy: -100.930 tors. eta vs tors. theta energy: -136.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1700.780629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.780629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.780629 (E_RNA) where: Base-Base interactions energy: -1088.971 where: short stacking energy: -486.782 Base-Backbone interact. energy: -0.733 local terms energy: -611.076055 where: bonds (distance) C4'-P energy: -159.285 bonds (distance) P-C4' energy: -141.367 flat angles C4'-P-C4' energy: -133.789 flat angles P-C4'-P energy: -90.900 tors. eta vs tors. theta energy: -85.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1327.606316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.606316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.606316 (E_RNA) where: Base-Base interactions energy: -759.004 where: short stacking energy: -388.928 Base-Backbone interact. energy: -0.102 local terms energy: -568.500507 where: bonds (distance) C4'-P energy: -144.870 bonds (distance) P-C4' energy: -159.259 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -81.165 tors. eta vs tors. theta energy: -39.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -832.702660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.702660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.702660 (E_RNA) where: Base-Base interactions energy: -361.466 where: short stacking energy: -254.531 Base-Backbone interact. energy: -3.692 local terms energy: -467.545645 where: bonds (distance) C4'-P energy: -165.284 bonds (distance) P-C4' energy: -141.803 flat angles C4'-P-C4' energy: -110.687 flat angles P-C4'-P energy: -64.383 tors. eta vs tors. theta energy: 14.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3229.889747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.889747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.889747 (E_RNA) where: Base-Base interactions energy: -2217.841 where: short stacking energy: -990.030 Base-Backbone interact. energy: -3.039 local terms energy: -1009.009293 where: bonds (distance) C4'-P energy: -163.348 bonds (distance) P-C4' energy: -191.415 flat angles C4'-P-C4' energy: -213.869 flat angles P-C4'-P energy: -155.522 tors. eta vs tors. theta energy: -284.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3080.739810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.739810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.739810 (E_RNA) where: Base-Base interactions energy: -2154.535 where: short stacking energy: -904.413 Base-Backbone interact. energy: -3.654 local terms energy: -922.551060 where: bonds (distance) C4'-P energy: -177.609 bonds (distance) P-C4' energy: -165.975 flat angles C4'-P-C4' energy: -201.790 flat angles P-C4'-P energy: -124.314 tors. eta vs tors. theta energy: -252.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2980.764692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.764692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.764692 (E_RNA) where: Base-Base interactions energy: -2101.926 where: short stacking energy: -890.956 Base-Backbone interact. energy: -4.977 local terms energy: -873.861208 where: bonds (distance) C4'-P energy: -148.636 bonds (distance) P-C4' energy: -168.883 flat angles C4'-P-C4' energy: -179.880 flat angles P-C4'-P energy: -115.838 tors. eta vs tors. theta energy: -260.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2852.748273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.748273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.748273 (E_RNA) where: Base-Base interactions energy: -1987.038 where: short stacking energy: -890.803 Base-Backbone interact. energy: -6.846 local terms energy: -858.864636 where: bonds (distance) C4'-P energy: -147.797 bonds (distance) P-C4' energy: -165.181 flat angles C4'-P-C4' energy: -192.338 flat angles P-C4'-P energy: -105.949 tors. eta vs tors. theta energy: -247.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2653.790882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.790882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.790882 (E_RNA) where: Base-Base interactions energy: -1850.341 where: short stacking energy: -800.727 Base-Backbone interact. energy: -2.650 local terms energy: -800.799804 where: bonds (distance) C4'-P energy: -167.823 bonds (distance) P-C4' energy: -134.598 flat angles C4'-P-C4' energy: -182.760 flat angles P-C4'-P energy: -107.405 tors. eta vs tors. theta energy: -208.214 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: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2456.774271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.774271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.774271 (E_RNA) where: Base-Base interactions energy: -1685.935 where: short stacking energy: -708.569 Base-Backbone interact. energy: 2.465 local terms energy: -773.304543 where: bonds (distance) C4'-P energy: -128.030 bonds (distance) P-C4' energy: -152.704 flat angles C4'-P-C4' energy: -190.141 flat angles P-C4'-P energy: -119.662 tors. eta vs tors. theta energy: -182.767 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: 450 Temperature: 1.200000 Total energy: -2050.986482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.986482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.986482 (E_RNA) where: Base-Base interactions energy: -1326.725 where: short stacking energy: -586.587 Base-Backbone interact. energy: -3.901 local terms energy: -720.360905 where: bonds (distance) C4'-P energy: -132.247 bonds (distance) P-C4' energy: -161.500 flat angles C4'-P-C4' energy: -175.428 flat angles P-C4'-P energy: -111.202 tors. eta vs tors. theta energy: -139.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1689.767638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.767638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.767638 (E_RNA) where: Base-Base interactions energy: -1048.273 where: short stacking energy: -511.949 Base-Backbone interact. energy: -0.585 local terms energy: -640.910337 where: bonds (distance) C4'-P energy: -159.104 bonds (distance) P-C4' energy: -146.321 flat angles C4'-P-C4' energy: -151.698 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -90.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1282.557665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.557665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.557665 (E_RNA) where: Base-Base interactions energy: -757.920 where: short stacking energy: -373.125 Base-Backbone interact. energy: 5.079 local terms energy: -529.717461 where: bonds (distance) C4'-P energy: -130.557 bonds (distance) P-C4' energy: -154.643 flat angles C4'-P-C4' energy: -149.767 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -25.015 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: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -817.071981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.071981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.071981 (E_RNA) where: Base-Base interactions energy: -386.376 where: short stacking energy: -245.177 Base-Backbone interact. energy: 2.113 local terms energy: -432.808880 where: bonds (distance) C4'-P energy: -129.036 bonds (distance) P-C4' energy: -146.388 flat angles C4'-P-C4' energy: -107.311 flat angles P-C4'-P energy: -74.365 tors. eta vs tors. theta energy: 24.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3206.805163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.805163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.805163 (E_RNA) where: Base-Base interactions energy: -2188.407 where: short stacking energy: -953.286 Base-Backbone interact. energy: -5.937 local terms energy: -1012.460790 where: bonds (distance) C4'-P energy: -195.088 bonds (distance) P-C4' energy: -185.483 flat angles C4'-P-C4' energy: -212.928 flat angles P-C4'-P energy: -146.271 tors. eta vs tors. theta energy: -272.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3103.508012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.508012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.508012 (E_RNA) where: Base-Base interactions energy: -2171.593 where: short stacking energy: -932.449 Base-Backbone interact. energy: -2.721 local terms energy: -929.193386 where: bonds (distance) C4'-P energy: -181.076 bonds (distance) P-C4' energy: -156.162 flat angles C4'-P-C4' energy: -200.575 flat angles P-C4'-P energy: -131.584 tors. eta vs tors. theta energy: -259.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -3026.701871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.701871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.701871 (E_RNA) where: Base-Base interactions energy: -2085.725 where: short stacking energy: -900.684 Base-Backbone interact. energy: -7.583 local terms energy: -933.394055 where: bonds (distance) C4'-P energy: -173.544 bonds (distance) P-C4' energy: -170.103 flat angles C4'-P-C4' energy: -203.445 flat angles P-C4'-P energy: -123.163 tors. eta vs tors. theta energy: -263.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2800.511365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.511365 (E_RNA) where: Base-Base interactions energy: -1914.519 where: short stacking energy: -841.038 Base-Backbone interact. energy: 2.714 local terms energy: -888.706827 where: bonds (distance) C4'-P energy: -176.366 bonds (distance) P-C4' energy: -154.237 flat angles C4'-P-C4' energy: -194.860 flat angles P-C4'-P energy: -136.159 tors. eta vs tors. theta energy: -227.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2717.209607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.209607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.209607 (E_RNA) where: Base-Base interactions energy: -1835.963 where: short stacking energy: -816.428 Base-Backbone interact. energy: -3.755 local terms energy: -877.491780 where: bonds (distance) C4'-P energy: -169.313 bonds (distance) P-C4' energy: -173.346 flat angles C4'-P-C4' energy: -195.017 flat angles P-C4'-P energy: -115.653 tors. eta vs tors. theta energy: -224.163 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: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2449.436486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.436486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.436486 (E_RNA) where: Base-Base interactions energy: -1670.492 where: short stacking energy: -708.569 Base-Backbone interact. energy: 5.565 local terms energy: -784.508819 where: bonds (distance) C4'-P energy: -158.427 bonds (distance) P-C4' energy: -162.797 flat angles C4'-P-C4' energy: -176.833 flat angles P-C4'-P energy: -105.147 tors. eta vs tors. theta energy: -181.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2068.931006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.931006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.931006 (E_RNA) where: Base-Base interactions energy: -1367.055 where: short stacking energy: -619.774 Base-Backbone interact. energy: -0.336 local terms energy: -701.539585 where: bonds (distance) C4'-P energy: -144.313 bonds (distance) P-C4' energy: -152.425 flat angles C4'-P-C4' energy: -169.282 flat angles P-C4'-P energy: -86.783 tors. eta vs tors. theta energy: -148.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1690.207752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.207752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.207752 (E_RNA) where: Base-Base interactions energy: -1057.813 where: short stacking energy: -522.379 Base-Backbone interact. energy: 5.980 local terms energy: -638.374658 where: bonds (distance) C4'-P energy: -146.677 bonds (distance) P-C4' energy: -146.261 flat angles C4'-P-C4' energy: -149.762 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -99.136 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: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1259.522816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.522816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.522816 (E_RNA) where: Base-Base interactions energy: -689.175 where: short stacking energy: -362.068 Base-Backbone interact. energy: -2.370 local terms energy: -567.978017 where: bonds (distance) C4'-P energy: -141.137 bonds (distance) P-C4' energy: -136.890 flat angles C4'-P-C4' energy: -156.274 flat angles P-C4'-P energy: -98.937 tors. eta vs tors. theta energy: -34.739 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: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -772.901638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.901638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.901638 (E_RNA) where: Base-Base interactions energy: -311.657 where: short stacking energy: -200.594 Base-Backbone interact. energy: -3.075 local terms energy: -458.169049 where: bonds (distance) C4'-P energy: -142.707 bonds (distance) P-C4' energy: -162.657 flat angles C4'-P-C4' energy: -126.699 flat angles P-C4'-P energy: -67.240 tors. eta vs tors. theta energy: 41.134 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: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3203.675686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.675686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.675686 (E_RNA) where: Base-Base interactions energy: -2217.161 where: short stacking energy: -959.587 Base-Backbone interact. energy: -4.778 local terms energy: -981.735940 where: bonds (distance) C4'-P energy: -183.372 bonds (distance) P-C4' energy: -176.327 flat angles C4'-P-C4' energy: -205.350 flat angles P-C4'-P energy: -139.883 tors. eta vs tors. theta energy: -276.804 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -3138.716530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.716530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.716530 (E_RNA) where: Base-Base interactions energy: -2140.089 where: short stacking energy: -913.483 Base-Backbone interact. energy: -4.519 local terms energy: -994.108589 where: bonds (distance) C4'-P energy: -186.627 bonds (distance) P-C4' energy: -183.179 flat angles C4'-P-C4' energy: -209.746 flat angles P-C4'-P energy: -148.241 tors. eta vs tors. theta energy: -266.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -3022.324973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.324973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.324973 (E_RNA) where: Base-Base interactions energy: -2111.730 where: short stacking energy: -878.366 Base-Backbone interact. energy: -4.829 local terms energy: -905.765580 where: bonds (distance) C4'-P energy: -163.563 bonds (distance) P-C4' energy: -184.147 flat angles C4'-P-C4' energy: -191.329 flat angles P-C4'-P energy: -131.497 tors. eta vs tors. theta energy: -235.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2840.566421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.566421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.566421 (E_RNA) where: Base-Base interactions energy: -1948.455 where: short stacking energy: -871.344 Base-Backbone interact. energy: 5.830 local terms energy: -897.941407 where: bonds (distance) C4'-P energy: -169.167 bonds (distance) P-C4' energy: -150.458 flat angles C4'-P-C4' energy: -196.811 flat angles P-C4'-P energy: -128.305 tors. eta vs tors. theta energy: -253.200 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: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2670.240577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.240577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.240577 (E_RNA) where: Base-Base interactions energy: -1835.801 where: short stacking energy: -784.946 Base-Backbone interact. energy: 0.376 local terms energy: -834.815551 where: bonds (distance) C4'-P energy: -166.658 bonds (distance) P-C4' energy: -155.122 flat angles C4'-P-C4' energy: -194.663 flat angles P-C4'-P energy: -116.285 tors. eta vs tors. theta energy: -202.088 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: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2532.107784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.107784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.107784 (E_RNA) where: Base-Base interactions energy: -1722.294 where: short stacking energy: -740.282 Base-Backbone interact. energy: -2.102 local terms energy: -807.712329 where: bonds (distance) C4'-P energy: -150.416 bonds (distance) P-C4' energy: -179.681 flat angles C4'-P-C4' energy: -187.437 flat angles P-C4'-P energy: -108.039 tors. eta vs tors. theta energy: -182.139 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: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2088.007939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.007939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.007939 (E_RNA) where: Base-Base interactions energy: -1414.783 where: short stacking energy: -616.669 Base-Backbone interact. energy: 0.783 local terms energy: -674.008000 where: bonds (distance) C4'-P energy: -151.051 bonds (distance) P-C4' energy: -143.690 flat angles C4'-P-C4' energy: -146.148 flat angles P-C4'-P energy: -95.344 tors. eta vs tors. theta energy: -137.776 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: 452 Temperature: 1.250000 Total energy: -1658.744351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.744351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.744351 (E_RNA) where: Base-Base interactions energy: -1054.825 where: short stacking energy: -492.293 Base-Backbone interact. energy: 3.109 local terms energy: -607.028951 where: bonds (distance) C4'-P energy: -137.296 bonds (distance) P-C4' energy: -150.874 flat angles C4'-P-C4' energy: -144.831 flat angles P-C4'-P energy: -90.206 tors. eta vs tors. theta energy: -83.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1376.684392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.684392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.684392 (E_RNA) where: Base-Base interactions energy: -807.488 where: short stacking energy: -394.499 Base-Backbone interact. energy: -3.275 local terms energy: -565.921778 where: bonds (distance) C4'-P energy: -143.305 bonds (distance) P-C4' energy: -159.124 flat angles C4'-P-C4' energy: -136.587 flat angles P-C4'-P energy: -90.176 tors. eta vs tors. theta energy: -36.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -838.287259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.287259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.287259 (E_RNA) where: Base-Base interactions energy: -377.073 where: short stacking energy: -225.594 Base-Backbone interact. energy: 1.872 local terms energy: -463.086944 where: bonds (distance) C4'-P energy: -154.596 bonds (distance) P-C4' energy: -150.305 flat angles C4'-P-C4' energy: -126.544 flat angles P-C4'-P energy: -44.480 tors. eta vs tors. theta energy: 12.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3214.053519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.053519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.053519 (E_RNA) where: Base-Base interactions energy: -2186.864 where: short stacking energy: -963.524 Base-Backbone interact. energy: -5.669 local terms energy: -1021.520504 where: bonds (distance) C4'-P energy: -180.286 bonds (distance) P-C4' energy: -189.176 flat angles C4'-P-C4' energy: -219.453 flat angles P-C4'-P energy: -150.544 tors. eta vs tors. theta energy: -282.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3094.712483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.712483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.712483 (E_RNA) where: Base-Base interactions energy: -2131.398 where: short stacking energy: -911.612 Base-Backbone interact. energy: -5.043 local terms energy: -958.271859 where: bonds (distance) C4'-P energy: -169.218 bonds (distance) P-C4' energy: -179.171 flat angles C4'-P-C4' energy: -209.627 flat angles P-C4'-P energy: -143.154 tors. eta vs tors. theta energy: -257.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2970.099664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.099664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.099664 (E_RNA) where: Base-Base interactions energy: -2031.335 where: short stacking energy: -888.481 Base-Backbone interact. energy: -0.837 local terms energy: -937.928249 where: bonds (distance) C4'-P energy: -180.932 bonds (distance) P-C4' energy: -183.481 flat angles C4'-P-C4' energy: -186.044 flat angles P-C4'-P energy: -133.525 tors. eta vs tors. theta energy: -253.947 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: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2835.209757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.209757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.209757 (E_RNA) where: Base-Base interactions energy: -1957.067 where: short stacking energy: -861.784 Base-Backbone interact. energy: -3.586 local terms energy: -874.557189 where: bonds (distance) C4'-P energy: -152.901 bonds (distance) P-C4' energy: -167.275 flat angles C4'-P-C4' energy: -179.973 flat angles P-C4'-P energy: -112.442 tors. eta vs tors. theta energy: -261.966 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: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2608.959236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.959236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.959236 (E_RNA) where: Base-Base interactions energy: -1751.700 where: short stacking energy: -754.776 Base-Backbone interact. energy: -4.820 local terms energy: -852.439242 where: bonds (distance) C4'-P energy: -157.527 bonds (distance) P-C4' energy: -179.955 flat angles C4'-P-C4' energy: -182.467 flat angles P-C4'-P energy: -130.916 tors. eta vs tors. theta energy: -201.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2536.383788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.383788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.383788 (E_RNA) where: Base-Base interactions energy: -1721.952 where: short stacking energy: -761.380 Base-Backbone interact. energy: -3.313 local terms energy: -811.118128 where: bonds (distance) C4'-P energy: -169.260 bonds (distance) P-C4' energy: -170.114 flat angles C4'-P-C4' energy: -169.197 flat angles P-C4'-P energy: -110.736 tors. eta vs tors. theta energy: -191.811 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: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2043.959299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.959299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.959299 (E_RNA) where: Base-Base interactions energy: -1346.449 where: short stacking energy: -607.456 Base-Backbone interact. energy: -2.278 local terms energy: -695.232124 where: bonds (distance) C4'-P energy: -138.513 bonds (distance) P-C4' energy: -158.065 flat angles C4'-P-C4' energy: -171.954 flat angles P-C4'-P energy: -91.338 tors. eta vs tors. theta energy: -135.363 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: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1740.148915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.148915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.148915 (E_RNA) where: Base-Base interactions energy: -1103.796 where: short stacking energy: -463.400 Base-Backbone interact. energy: -1.794 local terms energy: -634.558307 where: bonds (distance) C4'-P energy: -143.639 bonds (distance) P-C4' energy: -172.009 flat angles C4'-P-C4' energy: -140.367 flat angles P-C4'-P energy: -92.599 tors. eta vs tors. theta energy: -85.943 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: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1400.152660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.152660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.152660 (E_RNA) where: Base-Base interactions energy: -844.317 where: short stacking energy: -388.492 Base-Backbone interact. energy: 2.645 local terms energy: -558.480094 where: bonds (distance) C4'-P energy: -123.651 bonds (distance) P-C4' energy: -159.098 flat angles C4'-P-C4' energy: -159.592 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -39.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -897.067308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.067308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.067308 (E_RNA) where: Base-Base interactions energy: -419.733 where: short stacking energy: -287.061 Base-Backbone interact. energy: 0.240 local terms energy: -477.574819 where: bonds (distance) C4'-P energy: -131.630 bonds (distance) P-C4' energy: -154.637 flat angles C4'-P-C4' energy: -132.929 flat angles P-C4'-P energy: -83.011 tors. eta vs tors. theta energy: 24.633 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: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3190.688060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.688060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.688060 (E_RNA) where: Base-Base interactions energy: -2195.565 where: short stacking energy: -994.133 Base-Backbone interact. energy: -0.033 local terms energy: -995.090170 where: bonds (distance) C4'-P energy: -175.693 bonds (distance) P-C4' energy: -164.005 flat angles C4'-P-C4' energy: -213.785 flat angles P-C4'-P energy: -142.951 tors. eta vs tors. theta energy: -298.656 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: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3099.761356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.761356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.761356 (E_RNA) where: Base-Base interactions energy: -2146.955 where: short stacking energy: -905.076 Base-Backbone interact. energy: -8.439 local terms energy: -944.367642 where: bonds (distance) C4'-P energy: -157.063 bonds (distance) P-C4' energy: -177.809 flat angles C4'-P-C4' energy: -207.422 flat angles P-C4'-P energy: -150.196 tors. eta vs tors. theta energy: -251.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2977.629823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.629823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.629823 (E_RNA) where: Base-Base interactions energy: -2076.959 where: short stacking energy: -890.178 Base-Backbone interact. energy: -2.347 local terms energy: -898.323870 where: bonds (distance) C4'-P energy: -162.047 bonds (distance) P-C4' energy: -189.978 flat angles C4'-P-C4' energy: -183.344 flat angles P-C4'-P energy: -128.797 tors. eta vs tors. theta energy: -234.158 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: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2878.227951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.227951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.227951 (E_RNA) where: Base-Base interactions energy: -1967.890 where: short stacking energy: -861.712 Base-Backbone interact. energy: -0.040 local terms energy: -910.298058 where: bonds (distance) C4'-P energy: -174.414 bonds (distance) P-C4' energy: -169.963 flat angles C4'-P-C4' energy: -194.698 flat angles P-C4'-P energy: -130.063 tors. eta vs tors. theta energy: -241.160 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: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2597.018709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.018709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.018709 (E_RNA) where: Base-Base interactions energy: -1806.972 where: short stacking energy: -774.909 Base-Backbone interact. energy: -1.723 local terms energy: -788.324167 where: bonds (distance) C4'-P energy: -152.540 bonds (distance) P-C4' energy: -159.706 flat angles C4'-P-C4' energy: -168.352 flat angles P-C4'-P energy: -100.343 tors. eta vs tors. theta energy: -207.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2555.918295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.918295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.918295 (E_RNA) where: Base-Base interactions energy: -1739.609 where: short stacking energy: -759.910 Base-Backbone interact. energy: -1.277 local terms energy: -815.031790 where: bonds (distance) C4'-P energy: -168.850 bonds (distance) P-C4' energy: -185.231 flat angles C4'-P-C4' energy: -173.818 flat angles P-C4'-P energy: -93.262 tors. eta vs tors. theta energy: -193.870 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: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2109.202945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.202945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.202945 (E_RNA) where: Base-Base interactions energy: -1393.806 where: short stacking energy: -590.026 Base-Backbone interact. energy: -4.640 local terms energy: -710.756844 where: bonds (distance) C4'-P energy: -153.539 bonds (distance) P-C4' energy: -149.542 flat angles C4'-P-C4' energy: -164.314 flat angles P-C4'-P energy: -120.895 tors. eta vs tors. theta energy: -122.467 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: 8, replica: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1834.573256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.573256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.573256 (E_RNA) where: Base-Base interactions energy: -1151.859 where: short stacking energy: -539.758 Base-Backbone interact. energy: -0.285 local terms energy: -682.429217 where: bonds (distance) C4'-P energy: -164.035 bonds (distance) P-C4' energy: -151.226 flat angles C4'-P-C4' energy: -166.430 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -120.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1436.992653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.992653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.992653 (E_RNA) where: Base-Base interactions energy: -846.323 where: short stacking energy: -417.656 Base-Backbone interact. energy: -2.204 local terms energy: -588.464924 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -165.687 flat angles C4'-P-C4' energy: -155.923 flat angles P-C4'-P energy: -75.997 tors. eta vs tors. theta energy: -32.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -847.978743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.978743 (E_RNA) where: Base-Base interactions energy: -357.304 where: short stacking energy: -251.600 Base-Backbone interact. energy: -3.774 local terms energy: -486.901645 where: bonds (distance) C4'-P energy: -139.549 bonds (distance) P-C4' energy: -154.775 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -78.130 tors. eta vs tors. theta energy: 29.335 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: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3183.654215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.654215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.654215 (E_RNA) where: Base-Base interactions energy: -2179.169 where: short stacking energy: -979.524 Base-Backbone interact. energy: -1.472 local terms energy: -1003.013922 where: bonds (distance) C4'-P energy: -182.754 bonds (distance) P-C4' energy: -182.081 flat angles C4'-P-C4' energy: -206.281 flat angles P-C4'-P energy: -146.860 tors. eta vs tors. theta energy: -285.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3162.620820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.620820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.620820 (E_RNA) where: Base-Base interactions energy: -2177.410 where: short stacking energy: -922.036 Base-Backbone interact. energy: -6.049 local terms energy: -979.161428 where: bonds (distance) C4'-P energy: -166.193 bonds (distance) P-C4' energy: -195.282 flat angles C4'-P-C4' energy: -201.632 flat angles P-C4'-P energy: -152.195 tors. eta vs tors. theta energy: -263.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2977.222428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.222428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.222428 (E_RNA) where: Base-Base interactions energy: -2041.142 where: short stacking energy: -888.211 Base-Backbone interact. energy: -5.255 local terms energy: -930.825271 where: bonds (distance) C4'-P energy: -151.225 bonds (distance) P-C4' energy: -179.781 flat angles C4'-P-C4' energy: -196.379 flat angles P-C4'-P energy: -149.447 tors. eta vs tors. theta energy: -253.993 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: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2882.555323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.555323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.555323 (E_RNA) where: Base-Base interactions energy: -2005.305 where: short stacking energy: -877.973 Base-Backbone interact. energy: -2.727 local terms energy: -874.523945 where: bonds (distance) C4'-P energy: -167.219 bonds (distance) P-C4' energy: -155.447 flat angles C4'-P-C4' energy: -185.476 flat angles P-C4'-P energy: -125.264 tors. eta vs tors. theta energy: -241.118 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: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2639.354705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.354705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.354705 (E_RNA) where: Base-Base interactions energy: -1816.874 where: short stacking energy: -786.366 Base-Backbone interact. energy: 2.734 local terms energy: -825.214836 where: bonds (distance) C4'-P energy: -156.895 bonds (distance) P-C4' energy: -174.166 flat angles C4'-P-C4' energy: -193.137 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -215.350 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: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2534.418932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.418932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.418932 (E_RNA) where: Base-Base interactions energy: -1742.697 where: short stacking energy: -737.098 Base-Backbone interact. energy: -1.083 local terms energy: -790.639264 where: bonds (distance) C4'-P energy: -158.244 bonds (distance) P-C4' energy: -158.079 flat angles C4'-P-C4' energy: -185.534 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -191.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2122.197008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.197008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.197008 (E_RNA) where: Base-Base interactions energy: -1415.260 where: short stacking energy: -645.375 Base-Backbone interact. energy: -0.434 local terms energy: -706.502848 where: bonds (distance) C4'-P energy: -160.798 bonds (distance) P-C4' energy: -145.053 flat angles C4'-P-C4' energy: -169.368 flat angles P-C4'-P energy: -84.236 tors. eta vs tors. theta energy: -147.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1871.714384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.714384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.714384 (E_RNA) where: Base-Base interactions energy: -1201.121 where: short stacking energy: -567.027 Base-Backbone interact. energy: -2.129 local terms energy: -668.464595 where: bonds (distance) C4'-P energy: -153.666 bonds (distance) P-C4' energy: -151.869 flat angles C4'-P-C4' energy: -147.694 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -106.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1357.524544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.524544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.524544 (E_RNA) where: Base-Base interactions energy: -807.543 where: short stacking energy: -388.171 Base-Backbone interact. energy: -0.721 local terms energy: -549.259902 where: bonds (distance) C4'-P energy: -140.493 bonds (distance) P-C4' energy: -132.571 flat angles C4'-P-C4' energy: -151.798 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -48.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -719.221860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.221860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.221860 (E_RNA) where: Base-Base interactions energy: -309.528 where: short stacking energy: -222.060 Base-Backbone interact. energy: -0.813 local terms energy: -408.880634 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -128.445 flat angles C4'-P-C4' energy: -110.807 flat angles P-C4'-P energy: -73.075 tors. eta vs tors. theta energy: 30.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3217.033458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.033458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.033458 (E_RNA) where: Base-Base interactions energy: -2194.806 where: short stacking energy: -985.704 Base-Backbone interact. energy: -1.256 local terms energy: -1020.970997 where: bonds (distance) C4'-P energy: -174.761 bonds (distance) P-C4' energy: -191.338 flat angles C4'-P-C4' energy: -211.990 flat angles P-C4'-P energy: -147.346 tors. eta vs tors. theta energy: -295.535 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: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3140.593540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.593540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.593540 (E_RNA) where: Base-Base interactions energy: -2167.306 where: short stacking energy: -910.340 Base-Backbone interact. energy: -4.496 local terms energy: -968.791192 where: bonds (distance) C4'-P energy: -180.961 bonds (distance) P-C4' energy: -200.257 flat angles C4'-P-C4' energy: -199.449 flat angles P-C4'-P energy: -132.114 tors. eta vs tors. theta energy: -256.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2996.266821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.266821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.266821 (E_RNA) where: Base-Base interactions energy: -2088.107 where: short stacking energy: -889.433 Base-Backbone interact. energy: -4.015 local terms energy: -904.144678 where: bonds (distance) C4'-P energy: -165.465 bonds (distance) P-C4' energy: -160.161 flat angles C4'-P-C4' energy: -202.413 flat angles P-C4'-P energy: -130.232 tors. eta vs tors. theta energy: -245.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2831.693563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.693563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.693563 (E_RNA) where: Base-Base interactions energy: -1922.110 where: short stacking energy: -853.215 Base-Backbone interact. energy: -1.811 local terms energy: -907.772806 where: bonds (distance) C4'-P energy: -174.976 bonds (distance) P-C4' energy: -164.335 flat angles C4'-P-C4' energy: -199.995 flat angles P-C4'-P energy: -130.715 tors. eta vs tors. theta energy: -237.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2690.177928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.177928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.177928 (E_RNA) where: Base-Base interactions energy: -1834.081 where: short stacking energy: -832.533 Base-Backbone interact. energy: -2.143 local terms energy: -853.953447 where: bonds (distance) C4'-P energy: -159.230 bonds (distance) P-C4' energy: -150.934 flat angles C4'-P-C4' energy: -180.056 flat angles P-C4'-P energy: -131.215 tors. eta vs tors. theta energy: -232.519 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: 456 Temperature: 1.150000 Total energy: -2533.387876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.387876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.387876 (E_RNA) where: Base-Base interactions energy: -1728.383 where: short stacking energy: -753.886 Base-Backbone interact. energy: -4.276 local terms energy: -800.729035 where: bonds (distance) C4'-P energy: -158.296 bonds (distance) P-C4' energy: -166.211 flat angles C4'-P-C4' energy: -166.061 flat angles P-C4'-P energy: -111.049 tors. eta vs tors. theta energy: -199.113 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: 7, replica: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2139.224985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.224985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.224985 (E_RNA) where: Base-Base interactions energy: -1396.609 where: short stacking energy: -622.606 Base-Backbone interact. energy: -0.716 local terms energy: -741.899868 where: bonds (distance) C4'-P energy: -151.556 bonds (distance) P-C4' energy: -182.539 flat angles C4'-P-C4' energy: -159.773 flat angles P-C4'-P energy: -90.028 tors. eta vs tors. theta energy: -158.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1807.714633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.714633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.714633 (E_RNA) where: Base-Base interactions energy: -1181.539 where: short stacking energy: -528.800 Base-Backbone interact. energy: -0.125 local terms energy: -626.050654 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -136.807 flat angles C4'-P-C4' energy: -145.507 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -98.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1274.268816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.268816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.268816 (E_RNA) where: Base-Base interactions energy: -721.184 where: short stacking energy: -383.901 Base-Backbone interact. energy: -1.212 local terms energy: -551.873071 where: bonds (distance) C4'-P energy: -150.434 bonds (distance) P-C4' energy: -152.061 flat angles C4'-P-C4' energy: -163.183 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: -10.049 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: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -704.452698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.452698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.452698 (E_RNA) where: Base-Base interactions energy: -282.471 where: short stacking energy: -226.021 Base-Backbone interact. energy: -0.959 local terms energy: -421.023026 where: bonds (distance) C4'-P energy: -129.518 bonds (distance) P-C4' energy: -150.700 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: 38.438 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: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3227.348636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.348636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.348636 (E_RNA) where: Base-Base interactions energy: -2225.394 where: short stacking energy: -978.377 Base-Backbone interact. energy: -3.186 local terms energy: -998.769201 where: bonds (distance) C4'-P energy: -176.280 bonds (distance) P-C4' energy: -173.473 flat angles C4'-P-C4' energy: -223.639 flat angles P-C4'-P energy: -138.776 tors. eta vs tors. theta energy: -286.601 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: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3129.375693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.375693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.375693 (E_RNA) where: Base-Base interactions energy: -2168.997 where: short stacking energy: -925.111 Base-Backbone interact. energy: -3.452 local terms energy: -956.927029 where: bonds (distance) C4'-P energy: -178.846 bonds (distance) P-C4' energy: -181.480 flat angles C4'-P-C4' energy: -202.298 flat angles P-C4'-P energy: -139.713 tors. eta vs tors. theta energy: -254.590 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: 457 Temperature: 1.000000 Total energy: -2984.033631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.033631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.033631 (E_RNA) where: Base-Base interactions energy: -2047.905 where: short stacking energy: -881.575 Base-Backbone interact. energy: -6.078 local terms energy: -930.050386 where: bonds (distance) C4'-P energy: -163.205 bonds (distance) P-C4' energy: -186.201 flat angles C4'-P-C4' energy: -201.551 flat angles P-C4'-P energy: -135.722 tors. eta vs tors. theta energy: -243.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2871.257247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.257247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.257247 (E_RNA) where: Base-Base interactions energy: -1975.814 where: short stacking energy: -868.423 Base-Backbone interact. energy: -1.839 local terms energy: -893.604339 where: bonds (distance) C4'-P energy: -167.332 bonds (distance) P-C4' energy: -166.206 flat angles C4'-P-C4' energy: -189.544 flat angles P-C4'-P energy: -120.076 tors. eta vs tors. theta energy: -250.446 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: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2636.939583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.939583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.939583 (E_RNA) where: Base-Base interactions energy: -1771.341 where: short stacking energy: -790.652 Base-Backbone interact. energy: -2.847 local terms energy: -862.751818 where: bonds (distance) C4'-P energy: -167.049 bonds (distance) P-C4' energy: -163.786 flat angles C4'-P-C4' energy: -194.340 flat angles P-C4'-P energy: -116.387 tors. eta vs tors. theta energy: -221.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2611.822934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.822934 (E_RNA) where: Base-Base interactions energy: -1800.775 where: short stacking energy: -755.699 Base-Backbone interact. energy: -2.869 local terms energy: -808.178825 where: bonds (distance) C4'-P energy: -144.031 bonds (distance) P-C4' energy: -174.146 flat angles C4'-P-C4' energy: -174.940 flat angles P-C4'-P energy: -111.920 tors. eta vs tors. theta energy: -203.141 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: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2068.444346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.444346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.444346 (E_RNA) where: Base-Base interactions energy: -1351.240 where: short stacking energy: -605.836 Base-Backbone interact. energy: -3.189 local terms energy: -714.015627 where: bonds (distance) C4'-P energy: -150.167 bonds (distance) P-C4' energy: -145.733 flat angles C4'-P-C4' energy: -172.992 flat angles P-C4'-P energy: -93.261 tors. eta vs tors. theta energy: -151.863 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: 457 Temperature: 1.250000 Total energy: -1894.629383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.629383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.629383 (E_RNA) where: Base-Base interactions energy: -1212.293 where: short stacking energy: -506.893 Base-Backbone interact. energy: -4.665 local terms energy: -677.670650 where: bonds (distance) C4'-P energy: -157.465 bonds (distance) P-C4' energy: -162.613 flat angles C4'-P-C4' energy: -148.103 flat angles P-C4'-P energy: -92.368 tors. eta vs tors. theta energy: -117.121 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: 457 Temperature: 1.300000 Total energy: -1247.902280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.902280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.902280 (E_RNA) where: Base-Base interactions energy: -710.547 where: short stacking energy: -366.001 Base-Backbone interact. energy: 3.693 local terms energy: -541.048818 where: bonds (distance) C4'-P energy: -135.891 bonds (distance) P-C4' energy: -144.148 flat angles C4'-P-C4' energy: -141.082 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -41.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -766.300548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.300548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.300548 (E_RNA) where: Base-Base interactions energy: -280.269 where: short stacking energy: -234.164 Base-Backbone interact. energy: 3.943 local terms energy: -489.974498 where: bonds (distance) C4'-P energy: -129.050 bonds (distance) P-C4' energy: -151.252 flat angles C4'-P-C4' energy: -126.158 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: 8.483 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: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3224.409943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.409943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.409943 (E_RNA) where: Base-Base interactions energy: -2236.963 where: short stacking energy: -970.618 Base-Backbone interact. energy: -5.902 local terms energy: -981.544321 where: bonds (distance) C4'-P energy: -170.170 bonds (distance) P-C4' energy: -175.216 flat angles C4'-P-C4' energy: -210.353 flat angles P-C4'-P energy: -134.841 tors. eta vs tors. theta energy: -290.964 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: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3173.981874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.981874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.981874 (E_RNA) where: Base-Base interactions energy: -2218.502 where: short stacking energy: -951.473 Base-Backbone interact. energy: -1.613 local terms energy: -953.866869 where: bonds (distance) C4'-P energy: -174.368 bonds (distance) P-C4' energy: -163.262 flat angles C4'-P-C4' energy: -206.575 flat angles P-C4'-P energy: -143.484 tors. eta vs tors. theta energy: -266.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2992.770085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.770085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.770085 (E_RNA) where: Base-Base interactions energy: -2061.814 where: short stacking energy: -880.607 Base-Backbone interact. energy: -5.261 local terms energy: -925.695207 where: bonds (distance) C4'-P energy: -166.999 bonds (distance) P-C4' energy: -173.028 flat angles C4'-P-C4' energy: -212.812 flat angles P-C4'-P energy: -120.979 tors. eta vs tors. theta energy: -251.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2831.525736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.525736 (E_RNA) where: Base-Base interactions energy: -1963.809 where: short stacking energy: -839.647 Base-Backbone interact. energy: -1.405 local terms energy: -866.312157 where: bonds (distance) C4'-P energy: -172.661 bonds (distance) P-C4' energy: -145.793 flat angles C4'-P-C4' energy: -188.019 flat angles P-C4'-P energy: -125.195 tors. eta vs tors. theta energy: -234.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2653.878491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.878491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.878491 (E_RNA) where: Base-Base interactions energy: -1839.066 where: short stacking energy: -773.226 Base-Backbone interact. energy: -1.864 local terms energy: -812.948314 where: bonds (distance) C4'-P energy: -153.178 bonds (distance) P-C4' energy: -174.836 flat angles C4'-P-C4' energy: -165.853 flat angles P-C4'-P energy: -117.126 tors. eta vs tors. theta energy: -201.955 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: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2511.257218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.257218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.257218 (E_RNA) where: Base-Base interactions energy: -1715.646 where: short stacking energy: -749.940 Base-Backbone interact. energy: -2.287 local terms energy: -793.324125 where: bonds (distance) C4'-P energy: -135.281 bonds (distance) P-C4' energy: -172.281 flat angles C4'-P-C4' energy: -174.882 flat angles P-C4'-P energy: -110.548 tors. eta vs tors. theta energy: -200.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2088.666664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.666664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.666664 (E_RNA) where: Base-Base interactions energy: -1399.719 where: short stacking energy: -636.177 Base-Backbone interact. energy: -5.274 local terms energy: -683.673025 where: bonds (distance) C4'-P energy: -134.366 bonds (distance) P-C4' energy: -161.312 flat angles C4'-P-C4' energy: -160.086 flat angles P-C4'-P energy: -77.992 tors. eta vs tors. theta energy: -149.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1965.889670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.889670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.889670 (E_RNA) where: Base-Base interactions energy: -1289.770 where: short stacking energy: -572.830 Base-Backbone interact. energy: -2.133 local terms energy: -673.986636 where: bonds (distance) C4'-P energy: -147.945 bonds (distance) P-C4' energy: -149.348 flat angles C4'-P-C4' energy: -145.700 flat angles P-C4'-P energy: -95.195 tors. eta vs tors. theta energy: -135.798 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: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1317.108368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.108368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.108368 (E_RNA) where: Base-Base interactions energy: -797.370 where: short stacking energy: -405.551 Base-Backbone interact. energy: 3.993 local terms energy: -523.731828 where: bonds (distance) C4'-P energy: -127.136 bonds (distance) P-C4' energy: -133.667 flat angles C4'-P-C4' energy: -126.961 flat angles P-C4'-P energy: -96.319 tors. eta vs tors. theta energy: -39.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -722.118614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.118614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.118614 (E_RNA) where: Base-Base interactions energy: -256.783 where: short stacking energy: -228.740 Base-Backbone interact. energy: 2.577 local terms energy: -467.912259 where: bonds (distance) C4'-P energy: -142.901 bonds (distance) P-C4' energy: -150.183 flat angles C4'-P-C4' energy: -138.554 flat angles P-C4'-P energy: -57.340 tors. eta vs tors. theta energy: 21.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3200.606853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.606853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.606853 (E_RNA) where: Base-Base interactions energy: -2167.828 where: short stacking energy: -948.533 Base-Backbone interact. energy: -1.307 local terms energy: -1031.471102 where: bonds (distance) C4'-P energy: -179.132 bonds (distance) P-C4' energy: -190.776 flat angles C4'-P-C4' energy: -222.280 flat angles P-C4'-P energy: -153.406 tors. eta vs tors. theta energy: -285.876 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: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3154.248133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.248133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.248133 (E_RNA) where: Base-Base interactions energy: -2222.226 where: short stacking energy: -926.528 Base-Backbone interact. energy: -4.570 local terms energy: -927.452638 where: bonds (distance) C4'-P energy: -165.095 bonds (distance) P-C4' energy: -160.727 flat angles C4'-P-C4' energy: -211.908 flat angles P-C4'-P energy: -131.428 tors. eta vs tors. theta energy: -258.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2916.230723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.230723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.230723 (E_RNA) where: Base-Base interactions energy: -2003.443 where: short stacking energy: -852.713 Base-Backbone interact. energy: -5.844 local terms energy: -906.943934 where: bonds (distance) C4'-P energy: -167.794 bonds (distance) P-C4' energy: -172.854 flat angles C4'-P-C4' energy: -196.971 flat angles P-C4'-P energy: -140.101 tors. eta vs tors. theta energy: -229.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2792.391300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.391300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.391300 (E_RNA) where: Base-Base interactions energy: -1906.608 where: short stacking energy: -841.686 Base-Backbone interact. energy: 4.212 local terms energy: -889.994808 where: bonds (distance) C4'-P energy: -164.417 bonds (distance) P-C4' energy: -167.335 flat angles C4'-P-C4' energy: -191.840 flat angles P-C4'-P energy: -130.215 tors. eta vs tors. theta energy: -236.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2661.117429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.117429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.117429 (E_RNA) where: Base-Base interactions energy: -1836.219 where: short stacking energy: -811.511 Base-Backbone interact. energy: -1.914 local terms energy: -822.984331 where: bonds (distance) C4'-P energy: -157.981 bonds (distance) P-C4' energy: -170.331 flat angles C4'-P-C4' energy: -183.654 flat angles P-C4'-P energy: -101.444 tors. eta vs tors. theta energy: -209.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2525.623538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.623538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.623538 (E_RNA) where: Base-Base interactions energy: -1714.816 where: short stacking energy: -736.258 Base-Backbone interact. energy: -2.945 local terms energy: -807.862962 where: bonds (distance) C4'-P energy: -161.595 bonds (distance) P-C4' energy: -170.736 flat angles C4'-P-C4' energy: -175.985 flat angles P-C4'-P energy: -115.945 tors. eta vs tors. theta energy: -183.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2076.572198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.572198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.572198 (E_RNA) where: Base-Base interactions energy: -1359.694 where: short stacking energy: -596.874 Base-Backbone interact. energy: 5.346 local terms energy: -722.224160 where: bonds (distance) C4'-P energy: -167.258 bonds (distance) P-C4' energy: -158.521 flat angles C4'-P-C4' energy: -156.000 flat angles P-C4'-P energy: -112.474 tors. eta vs tors. theta energy: -127.971 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: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1890.620462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.620462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.620462 (E_RNA) where: Base-Base interactions energy: -1247.025 where: short stacking energy: -559.905 Base-Backbone interact. energy: 1.196 local terms energy: -644.792393 where: bonds (distance) C4'-P energy: -145.221 bonds (distance) P-C4' energy: -138.972 flat angles C4'-P-C4' energy: -161.621 flat angles P-C4'-P energy: -84.663 tors. eta vs tors. theta energy: -114.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1287.882176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.882176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.882176 (E_RNA) where: Base-Base interactions energy: -752.561 where: short stacking energy: -344.136 Base-Backbone interact. energy: -0.420 local terms energy: -534.901290 where: bonds (distance) C4'-P energy: -152.376 bonds (distance) P-C4' energy: -155.067 flat angles C4'-P-C4' energy: -137.914 flat angles P-C4'-P energy: -62.920 tors. eta vs tors. theta energy: -26.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -754.669125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.669125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.669125 (E_RNA) where: Base-Base interactions energy: -269.167 where: short stacking energy: -230.571 Base-Backbone interact. energy: -1.550 local terms energy: -483.952658 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -155.292 flat angles C4'-P-C4' energy: -140.413 flat angles P-C4'-P energy: -74.177 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: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3197.268713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.268713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.268713 (E_RNA) where: Base-Base interactions energy: -2225.416 where: short stacking energy: -982.093 Base-Backbone interact. energy: 1.804 local terms energy: -973.656550 where: bonds (distance) C4'-P energy: -170.599 bonds (distance) P-C4' energy: -166.251 flat angles C4'-P-C4' energy: -214.928 flat angles P-C4'-P energy: -142.371 tors. eta vs tors. theta energy: -279.508 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: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3189.636857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.636857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.636857 (E_RNA) where: Base-Base interactions energy: -2235.947 where: short stacking energy: -912.889 Base-Backbone interact. energy: -8.811 local terms energy: -944.878378 where: bonds (distance) C4'-P energy: -178.596 bonds (distance) P-C4' energy: -172.621 flat angles C4'-P-C4' energy: -193.346 flat angles P-C4'-P energy: -139.814 tors. eta vs tors. theta energy: -260.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -3024.542868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.542868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.542868 (E_RNA) where: Base-Base interactions energy: -2125.849 where: short stacking energy: -914.643 Base-Backbone interact. energy: -5.078 local terms energy: -893.615587 where: bonds (distance) C4'-P energy: -166.630 bonds (distance) P-C4' energy: -162.508 flat angles C4'-P-C4' energy: -192.966 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -261.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2806.040883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.040883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.040883 (E_RNA) where: Base-Base interactions energy: -1918.052 where: short stacking energy: -868.765 Base-Backbone interact. energy: -1.578 local terms energy: -886.411036 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -178.104 flat angles C4'-P-C4' energy: -193.430 flat angles P-C4'-P energy: -132.181 tors. eta vs tors. theta energy: -231.737 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: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2589.739400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.739400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.739400 (E_RNA) where: Base-Base interactions energy: -1785.394 where: short stacking energy: -754.415 Base-Backbone interact. energy: -3.719 local terms energy: -800.626089 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -172.496 flat angles C4'-P-C4' energy: -178.619 flat angles P-C4'-P energy: -109.731 tors. eta vs tors. theta energy: -197.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2500.841172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.841172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.841172 (E_RNA) where: Base-Base interactions energy: -1708.227 where: short stacking energy: -701.414 Base-Backbone interact. energy: -1.807 local terms energy: -790.807218 where: bonds (distance) C4'-P energy: -160.843 bonds (distance) P-C4' energy: -154.860 flat angles C4'-P-C4' energy: -180.489 flat angles P-C4'-P energy: -113.496 tors. eta vs tors. theta energy: -181.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2152.855386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.855386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.855386 (E_RNA) where: Base-Base interactions energy: -1430.823 where: short stacking energy: -608.330 Base-Backbone interact. energy: -4.579 local terms energy: -717.453073 where: bonds (distance) C4'-P energy: -161.588 bonds (distance) P-C4' energy: -158.483 flat angles C4'-P-C4' energy: -165.033 flat angles P-C4'-P energy: -114.485 tors. eta vs tors. theta energy: -117.864 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: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1965.825431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.825431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.825431 (E_RNA) where: Base-Base interactions energy: -1266.501 where: short stacking energy: -589.553 Base-Backbone interact. energy: -1.118 local terms energy: -698.206850 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -158.627 flat angles C4'-P-C4' energy: -166.293 flat angles P-C4'-P energy: -111.873 tors. eta vs tors. theta energy: -134.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1284.489520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.489520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.489520 (E_RNA) where: Base-Base interactions energy: -771.622 where: short stacking energy: -393.280 Base-Backbone interact. energy: -1.968 local terms energy: -510.899576 where: bonds (distance) C4'-P energy: -119.233 bonds (distance) P-C4' energy: -144.991 flat angles C4'-P-C4' energy: -148.537 flat angles P-C4'-P energy: -83.258 tors. eta vs tors. theta energy: -14.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -887.135969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.135969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.135969 (E_RNA) where: Base-Base interactions energy: -433.165 where: short stacking energy: -234.248 Base-Backbone interact. energy: -4.908 local terms energy: -449.062672 where: bonds (distance) C4'-P energy: -158.126 bonds (distance) P-C4' energy: -147.162 flat angles C4'-P-C4' energy: -114.513 flat angles P-C4'-P energy: -60.912 tors. eta vs tors. theta energy: 31.650 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: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3205.318252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.318252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.318252 (E_RNA) where: Base-Base interactions energy: -2180.568 where: short stacking energy: -953.374 Base-Backbone interact. energy: -4.688 local terms energy: -1020.062607 where: bonds (distance) C4'-P energy: -193.600 bonds (distance) P-C4' energy: -186.369 flat angles C4'-P-C4' energy: -211.362 flat angles P-C4'-P energy: -157.889 tors. eta vs tors. theta energy: -270.843 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: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3189.071388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.071388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.071388 (E_RNA) where: Base-Base interactions energy: -2217.502 where: short stacking energy: -933.249 Base-Backbone interact. energy: -8.489 local terms energy: -963.080616 where: bonds (distance) C4'-P energy: -175.096 bonds (distance) P-C4' energy: -189.751 flat angles C4'-P-C4' energy: -203.409 flat angles P-C4'-P energy: -124.067 tors. eta vs tors. theta energy: -270.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2954.868101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.868101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.868101 (E_RNA) where: Base-Base interactions energy: -2040.354 where: short stacking energy: -898.195 Base-Backbone interact. energy: -6.312 local terms energy: -908.202572 where: bonds (distance) C4'-P energy: -177.540 bonds (distance) P-C4' energy: -162.703 flat angles C4'-P-C4' energy: -172.533 flat angles P-C4'-P energy: -141.259 tors. eta vs tors. theta energy: -254.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2703.919830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.919830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.919830 (E_RNA) where: Base-Base interactions energy: -1878.549 where: short stacking energy: -813.107 Base-Backbone interact. energy: -5.405 local terms energy: -819.965888 where: bonds (distance) C4'-P energy: -152.372 bonds (distance) P-C4' energy: -163.413 flat angles C4'-P-C4' energy: -172.448 flat angles P-C4'-P energy: -121.803 tors. eta vs tors. theta energy: -209.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2648.735228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.735228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.735228 (E_RNA) where: Base-Base interactions energy: -1820.650 where: short stacking energy: -808.855 Base-Backbone interact. energy: -4.787 local terms energy: -823.298524 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -167.068 flat angles C4'-P-C4' energy: -209.140 flat angles P-C4'-P energy: -86.973 tors. eta vs tors. theta energy: -213.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2447.496549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.496549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.496549 (E_RNA) where: Base-Base interactions energy: -1712.342 where: short stacking energy: -699.409 Base-Backbone interact. energy: 0.091 local terms energy: -735.245771 where: bonds (distance) C4'-P energy: -133.204 bonds (distance) P-C4' energy: -169.032 flat angles C4'-P-C4' energy: -167.637 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -161.889 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: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2081.116697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.116697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.116697 (E_RNA) where: Base-Base interactions energy: -1374.930 where: short stacking energy: -601.765 Base-Backbone interact. energy: 0.383 local terms energy: -706.569662 where: bonds (distance) C4'-P energy: -160.950 bonds (distance) P-C4' energy: -154.132 flat angles C4'-P-C4' energy: -160.874 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -125.707 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: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1897.050845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.050845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.050845 (E_RNA) where: Base-Base interactions energy: -1194.902 where: short stacking energy: -513.996 Base-Backbone interact. energy: -2.345 local terms energy: -699.803052 where: bonds (distance) C4'-P energy: -139.873 bonds (distance) P-C4' energy: -173.889 flat angles C4'-P-C4' energy: -161.222 flat angles P-C4'-P energy: -100.746 tors. eta vs tors. theta energy: -124.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1367.521635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.521635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.521635 (E_RNA) where: Base-Base interactions energy: -810.933 where: short stacking energy: -404.270 Base-Backbone interact. energy: -4.032 local terms energy: -552.556697 where: bonds (distance) C4'-P energy: -142.568 bonds (distance) P-C4' energy: -144.894 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -88.748 tors. eta vs tors. theta energy: -39.872 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: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -869.076081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.076081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.076081 (E_RNA) where: Base-Base interactions energy: -400.998 where: short stacking energy: -266.687 Base-Backbone interact. energy: -0.235 local terms energy: -467.842413 where: bonds (distance) C4'-P energy: -149.519 bonds (distance) P-C4' energy: -162.833 flat angles C4'-P-C4' energy: -94.876 flat angles P-C4'-P energy: -57.521 tors. eta vs tors. theta energy: -3.093 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: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3223.519075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.519075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.519075 (E_RNA) where: Base-Base interactions energy: -2213.750 where: short stacking energy: -980.302 Base-Backbone interact. energy: -3.634 local terms energy: -1006.135014 where: bonds (distance) C4'-P energy: -190.403 bonds (distance) P-C4' energy: -188.329 flat angles C4'-P-C4' energy: -209.561 flat angles P-C4'-P energy: -138.957 tors. eta vs tors. theta energy: -278.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3147.908419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.908419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.908419 (E_RNA) where: Base-Base interactions energy: -2193.498 where: short stacking energy: -917.990 Base-Backbone interact. energy: -4.549 local terms energy: -949.861472 where: bonds (distance) C4'-P energy: -166.614 bonds (distance) P-C4' energy: -171.481 flat angles C4'-P-C4' energy: -210.315 flat angles P-C4'-P energy: -147.399 tors. eta vs tors. theta energy: -254.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2975.714234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.714234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.714234 (E_RNA) where: Base-Base interactions energy: -2055.711 where: short stacking energy: -895.283 Base-Backbone interact. energy: -5.654 local terms energy: -914.349254 where: bonds (distance) C4'-P energy: -155.714 bonds (distance) P-C4' energy: -172.744 flat angles C4'-P-C4' energy: -199.650 flat angles P-C4'-P energy: -134.689 tors. eta vs tors. theta energy: -251.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2749.301644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.301644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.301644 (E_RNA) where: Base-Base interactions energy: -1880.820 where: short stacking energy: -820.349 Base-Backbone interact. energy: 2.302 local terms energy: -870.783559 where: bonds (distance) C4'-P energy: -166.337 bonds (distance) P-C4' energy: -165.203 flat angles C4'-P-C4' energy: -193.914 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -225.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2614.976094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.976094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.976094 (E_RNA) where: Base-Base interactions energy: -1839.578 where: short stacking energy: -780.467 Base-Backbone interact. energy: -1.861 local terms energy: -773.537129 where: bonds (distance) C4'-P energy: -139.764 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -179.977 flat angles P-C4'-P energy: -118.481 tors. eta vs tors. theta energy: -187.604 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: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2447.152472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.152472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.152472 (E_RNA) where: Base-Base interactions energy: -1631.473 where: short stacking energy: -705.608 Base-Backbone interact. energy: -0.428 local terms energy: -815.252111 where: bonds (distance) C4'-P energy: -169.711 bonds (distance) P-C4' energy: -165.377 flat angles C4'-P-C4' energy: -171.725 flat angles P-C4'-P energy: -125.835 tors. eta vs tors. theta energy: -182.605 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: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2116.664632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.664632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.664632 (E_RNA) where: Base-Base interactions energy: -1384.842 where: short stacking energy: -604.870 Base-Backbone interact. energy: -3.818 local terms energy: -728.004116 where: bonds (distance) C4'-P energy: -167.115 bonds (distance) P-C4' energy: -157.229 flat angles C4'-P-C4' energy: -169.428 flat angles P-C4'-P energy: -109.344 tors. eta vs tors. theta energy: -124.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1876.089599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.089599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.089599 (E_RNA) where: Base-Base interactions energy: -1178.417 where: short stacking energy: -524.119 Base-Backbone interact. energy: -2.546 local terms energy: -695.126508 where: bonds (distance) C4'-P energy: -140.116 bonds (distance) P-C4' energy: -157.765 flat angles C4'-P-C4' energy: -177.834 flat angles P-C4'-P energy: -102.038 tors. eta vs tors. theta energy: -117.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1423.197730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.197730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.197730 (E_RNA) where: Base-Base interactions energy: -843.828 where: short stacking energy: -467.092 Base-Backbone interact. energy: -3.578 local terms energy: -575.791315 where: bonds (distance) C4'-P energy: -145.547 bonds (distance) P-C4' energy: -130.442 flat angles C4'-P-C4' energy: -135.243 flat angles P-C4'-P energy: -93.621 tors. eta vs tors. theta energy: -70.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -860.238101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.238101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.238101 (E_RNA) where: Base-Base interactions energy: -398.153 where: short stacking energy: -283.471 Base-Backbone interact. energy: -6.581 local terms energy: -455.503419 where: bonds (distance) C4'-P energy: -119.191 bonds (distance) P-C4' energy: -155.108 flat angles C4'-P-C4' energy: -123.588 flat angles P-C4'-P energy: -56.261 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3191.854455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.854455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.854455 (E_RNA) where: Base-Base interactions energy: -2163.006 where: short stacking energy: -955.562 Base-Backbone interact. energy: -2.513 local terms energy: -1026.335281 where: bonds (distance) C4'-P energy: -190.117 bonds (distance) P-C4' energy: -194.358 flat angles C4'-P-C4' energy: -214.173 flat angles P-C4'-P energy: -149.539 tors. eta vs tors. theta energy: -278.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3142.698776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.698776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.698776 (E_RNA) where: Base-Base interactions energy: -2205.122 where: short stacking energy: -916.798 Base-Backbone interact. energy: 3.098 local terms energy: -940.674918 where: bonds (distance) C4'-P energy: -189.373 bonds (distance) P-C4' energy: -167.921 flat angles C4'-P-C4' energy: -199.096 flat angles P-C4'-P energy: -123.340 tors. eta vs tors. theta energy: -260.945 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: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2972.499734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.499734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.499734 (E_RNA) where: Base-Base interactions energy: -2059.659 where: short stacking energy: -888.860 Base-Backbone interact. energy: -2.348 local terms energy: -910.492826 where: bonds (distance) C4'-P energy: -168.208 bonds (distance) P-C4' energy: -179.930 flat angles C4'-P-C4' energy: -196.965 flat angles P-C4'-P energy: -121.808 tors. eta vs tors. theta energy: -243.581 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: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2755.202882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.202882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.202882 (E_RNA) where: Base-Base interactions energy: -1885.809 where: short stacking energy: -818.107 Base-Backbone interact. energy: -4.666 local terms energy: -864.728015 where: bonds (distance) C4'-P energy: -154.287 bonds (distance) P-C4' energy: -187.497 flat angles C4'-P-C4' energy: -190.087 flat angles P-C4'-P energy: -111.334 tors. eta vs tors. theta energy: -221.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2665.632692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.632692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.632692 (E_RNA) where: Base-Base interactions energy: -1843.864 where: short stacking energy: -758.141 Base-Backbone interact. energy: 4.457 local terms energy: -826.225920 where: bonds (distance) C4'-P energy: -153.772 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -191.824 flat angles P-C4'-P energy: -134.663 tors. eta vs tors. theta energy: -198.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2484.095470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.095470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.095470 (E_RNA) where: Base-Base interactions energy: -1686.945 where: short stacking energy: -700.645 Base-Backbone interact. energy: 4.234 local terms energy: -801.383597 where: bonds (distance) C4'-P energy: -173.558 bonds (distance) P-C4' energy: -172.167 flat angles C4'-P-C4' energy: -183.097 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -167.824 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: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2095.519265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.519265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.519265 (E_RNA) where: Base-Base interactions energy: -1382.491 where: short stacking energy: -637.044 Base-Backbone interact. energy: -3.002 local terms energy: -710.026460 where: bonds (distance) C4'-P energy: -161.173 bonds (distance) P-C4' energy: -152.280 flat angles C4'-P-C4' energy: -157.153 flat angles P-C4'-P energy: -92.008 tors. eta vs tors. theta energy: -147.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1825.716810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.716810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.716810 (E_RNA) where: Base-Base interactions energy: -1170.530 where: short stacking energy: -519.829 Base-Backbone interact. energy: -4.090 local terms energy: -651.096511 where: bonds (distance) C4'-P energy: -155.460 bonds (distance) P-C4' energy: -157.176 flat angles C4'-P-C4' energy: -159.079 flat angles P-C4'-P energy: -89.599 tors. eta vs tors. theta energy: -89.782 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: 9, replica: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1439.289599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.289599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.289599 (E_RNA) where: Base-Base interactions energy: -859.071 where: short stacking energy: -415.200 Base-Backbone interact. energy: 14.682 local terms energy: -594.901307 where: bonds (distance) C4'-P energy: -157.240 bonds (distance) P-C4' energy: -176.590 flat angles C4'-P-C4' energy: -140.193 flat angles P-C4'-P energy: -74.146 tors. eta vs tors. theta energy: -46.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -862.360135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.360135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.360135 (E_RNA) where: Base-Base interactions energy: -383.207 where: short stacking energy: -230.387 Base-Backbone interact. energy: 8.080 local terms energy: -487.232980 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -155.987 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -83.574 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: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3220.807808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.807808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.807808 (E_RNA) where: Base-Base interactions energy: -2206.387 where: short stacking energy: -955.421 Base-Backbone interact. energy: -5.802 local terms energy: -1008.618509 where: bonds (distance) C4'-P energy: -166.213 bonds (distance) P-C4' energy: -186.524 flat angles C4'-P-C4' energy: -222.223 flat angles P-C4'-P energy: -139.620 tors. eta vs tors. theta energy: -294.038 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: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3168.264913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.264913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.264913 (E_RNA) where: Base-Base interactions energy: -2212.144 where: short stacking energy: -910.841 Base-Backbone interact. energy: -3.052 local terms energy: -953.069491 where: bonds (distance) C4'-P energy: -161.540 bonds (distance) P-C4' energy: -205.027 flat angles C4'-P-C4' energy: -187.001 flat angles P-C4'-P energy: -136.778 tors. eta vs tors. theta energy: -262.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -3014.094104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.094104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.094104 (E_RNA) where: Base-Base interactions energy: -2072.761 where: short stacking energy: -877.341 Base-Backbone interact. energy: -3.961 local terms energy: -937.372270 where: bonds (distance) C4'-P energy: -170.426 bonds (distance) P-C4' energy: -172.907 flat angles C4'-P-C4' energy: -195.488 flat angles P-C4'-P energy: -145.128 tors. eta vs tors. theta energy: -253.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2790.048918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.048918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.048918 (E_RNA) where: Base-Base interactions energy: -1934.622 where: short stacking energy: -850.352 Base-Backbone interact. energy: 1.872 local terms energy: -857.299034 where: bonds (distance) C4'-P energy: -152.819 bonds (distance) P-C4' energy: -172.080 flat angles C4'-P-C4' energy: -195.027 flat angles P-C4'-P energy: -111.984 tors. eta vs tors. theta energy: -225.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2666.452932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.452932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.452932 (E_RNA) where: Base-Base interactions energy: -1830.690 where: short stacking energy: -756.611 Base-Backbone interact. energy: -1.299 local terms energy: -834.464182 where: bonds (distance) C4'-P energy: -161.137 bonds (distance) P-C4' energy: -157.682 flat angles C4'-P-C4' energy: -191.669 flat angles P-C4'-P energy: -120.756 tors. eta vs tors. theta energy: -203.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2448.329743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.329743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.329743 (E_RNA) where: Base-Base interactions energy: -1685.217 where: short stacking energy: -720.895 Base-Backbone interact. energy: -3.444 local terms energy: -759.669007 where: bonds (distance) C4'-P energy: -137.953 bonds (distance) P-C4' energy: -158.223 flat angles C4'-P-C4' energy: -170.290 flat angles P-C4'-P energy: -110.536 tors. eta vs tors. theta energy: -182.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2106.244112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.244112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.244112 (E_RNA) where: Base-Base interactions energy: -1407.624 where: short stacking energy: -636.606 Base-Backbone interact. energy: 3.539 local terms energy: -702.159198 where: bonds (distance) C4'-P energy: -142.708 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -173.811 flat angles P-C4'-P energy: -102.000 tors. eta vs tors. theta energy: -141.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1845.303098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.303098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.303098 (E_RNA) where: Base-Base interactions energy: -1178.696 where: short stacking energy: -541.146 Base-Backbone interact. energy: -3.352 local terms energy: -663.254549 where: bonds (distance) C4'-P energy: -160.103 bonds (distance) P-C4' energy: -147.996 flat angles C4'-P-C4' energy: -154.153 flat angles P-C4'-P energy: -90.759 tors. eta vs tors. theta energy: -110.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1294.063400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.063400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.063400 (E_RNA) where: Base-Base interactions energy: -733.420 where: short stacking energy: -346.079 Base-Backbone interact. energy: 2.088 local terms energy: -562.731713 where: bonds (distance) C4'-P energy: -148.547 bonds (distance) P-C4' energy: -175.625 flat angles C4'-P-C4' energy: -128.553 flat angles P-C4'-P energy: -88.384 tors. eta vs tors. theta energy: -21.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -837.383124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.383124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.383124 (E_RNA) where: Base-Base interactions energy: -408.830 where: short stacking energy: -285.417 Base-Backbone interact. energy: -1.449 local terms energy: -427.103741 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -137.023 flat angles C4'-P-C4' energy: -116.183 flat angles P-C4'-P energy: -63.517 tors. eta vs tors. theta energy: 9.432 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: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3212.381726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.381726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.381726 (E_RNA) where: Base-Base interactions energy: -2236.858 where: short stacking energy: -971.885 Base-Backbone interact. energy: -2.532 local terms energy: -972.991462 where: bonds (distance) C4'-P energy: -176.037 bonds (distance) P-C4' energy: -185.569 flat angles C4'-P-C4' energy: -203.878 flat angles P-C4'-P energy: -140.704 tors. eta vs tors. theta energy: -266.804 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3150.418830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.418830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.418830 (E_RNA) where: Base-Base interactions energy: -2209.805 where: short stacking energy: -915.150 Base-Backbone interact. energy: -6.667 local terms energy: -933.947111 where: bonds (distance) C4'-P energy: -156.714 bonds (distance) P-C4' energy: -190.577 flat angles C4'-P-C4' energy: -202.206 flat angles P-C4'-P energy: -137.948 tors. eta vs tors. theta energy: -246.502 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: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -3019.179679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.179679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.179679 (E_RNA) where: Base-Base interactions energy: -2090.695 where: short stacking energy: -892.239 Base-Backbone interact. energy: -4.958 local terms energy: -923.527590 where: bonds (distance) C4'-P energy: -164.684 bonds (distance) P-C4' energy: -164.586 flat angles C4'-P-C4' energy: -209.782 flat angles P-C4'-P energy: -139.080 tors. eta vs tors. theta energy: -245.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2744.445647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.445647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.445647 (E_RNA) where: Base-Base interactions energy: -1915.760 where: short stacking energy: -830.512 Base-Backbone interact. energy: -6.481 local terms energy: -822.204336 where: bonds (distance) C4'-P energy: -148.334 bonds (distance) P-C4' energy: -157.357 flat angles C4'-P-C4' energy: -182.738 flat angles P-C4'-P energy: -123.794 tors. eta vs tors. theta energy: -209.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2673.907130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.907130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.907130 (E_RNA) where: Base-Base interactions energy: -1807.639 where: short stacking energy: -777.986 Base-Backbone interact. energy: -1.947 local terms energy: -864.320769 where: bonds (distance) C4'-P energy: -161.255 bonds (distance) P-C4' energy: -163.833 flat angles C4'-P-C4' energy: -186.017 flat angles P-C4'-P energy: -132.812 tors. eta vs tors. theta energy: -220.402 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: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2500.655662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.655662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.655662 (E_RNA) where: Base-Base interactions energy: -1707.530 where: short stacking energy: -721.482 Base-Backbone interact. energy: -5.270 local terms energy: -787.855922 where: bonds (distance) C4'-P energy: -157.304 bonds (distance) P-C4' energy: -139.043 flat angles C4'-P-C4' energy: -181.834 flat angles P-C4'-P energy: -124.711 tors. eta vs tors. theta energy: -184.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2105.838530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.838530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.838530 (E_RNA) where: Base-Base interactions energy: -1400.524 where: short stacking energy: -621.856 Base-Backbone interact. energy: -1.766 local terms energy: -703.548604 where: bonds (distance) C4'-P energy: -139.000 bonds (distance) P-C4' energy: -155.669 flat angles C4'-P-C4' energy: -171.300 flat angles P-C4'-P energy: -96.478 tors. eta vs tors. theta energy: -141.102 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: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1845.978286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.978286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.978286 (E_RNA) where: Base-Base interactions energy: -1189.600 where: short stacking energy: -539.022 Base-Backbone interact. energy: 7.026 local terms energy: -663.404094 where: bonds (distance) C4'-P energy: -135.701 bonds (distance) P-C4' energy: -149.873 flat angles C4'-P-C4' energy: -157.221 flat angles P-C4'-P energy: -98.194 tors. eta vs tors. theta energy: -122.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1307.228023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.228023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.228023 (E_RNA) where: Base-Base interactions energy: -734.549 where: short stacking energy: -387.966 Base-Backbone interact. energy: 4.905 local terms energy: -577.584582 where: bonds (distance) C4'-P energy: -150.542 bonds (distance) P-C4' energy: -135.972 flat angles C4'-P-C4' energy: -131.431 flat angles P-C4'-P energy: -104.428 tors. eta vs tors. theta energy: -55.211 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: 6 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -841.653569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.653569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.653569 (E_RNA) where: Base-Base interactions energy: -383.549 where: short stacking energy: -259.333 Base-Backbone interact. energy: 1.088 local terms energy: -459.192610 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -120.956 flat angles P-C4'-P energy: -82.105 tors. eta vs tors. theta energy: 18.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3238.788595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.788595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.788595 (E_RNA) where: Base-Base interactions energy: -2257.157 where: short stacking energy: -936.498 Base-Backbone interact. energy: -2.364 local terms energy: -979.267697 where: bonds (distance) C4'-P energy: -177.859 bonds (distance) P-C4' energy: -174.701 flat angles C4'-P-C4' energy: -214.392 flat angles P-C4'-P energy: -152.328 tors. eta vs tors. theta energy: -259.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -3145.856603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.856603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.856603 (E_RNA) where: Base-Base interactions energy: -2209.653 where: short stacking energy: -945.893 Base-Backbone interact. energy: -4.686 local terms energy: -931.517244 where: bonds (distance) C4'-P energy: -158.197 bonds (distance) P-C4' energy: -175.506 flat angles C4'-P-C4' energy: -207.112 flat angles P-C4'-P energy: -126.800 tors. eta vs tors. theta energy: -263.903 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: 466 Temperature: 1.000000 Total energy: -2982.179048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.179048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.179048 (E_RNA) where: Base-Base interactions energy: -2084.772 where: short stacking energy: -891.458 Base-Backbone interact. energy: -5.243 local terms energy: -892.164013 where: bonds (distance) C4'-P energy: -155.110 bonds (distance) P-C4' energy: -186.192 flat angles C4'-P-C4' energy: -195.356 flat angles P-C4'-P energy: -130.469 tors. eta vs tors. theta energy: -225.037 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: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2716.281740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.281740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.281740 (E_RNA) where: Base-Base interactions energy: -1854.035 where: short stacking energy: -818.546 Base-Backbone interact. energy: 0.713 local terms energy: -862.959289 where: bonds (distance) C4'-P energy: -178.954 bonds (distance) P-C4' energy: -161.593 flat angles C4'-P-C4' energy: -177.899 flat angles P-C4'-P energy: -131.713 tors. eta vs tors. theta energy: -212.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2741.792899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.792899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.792899 (E_RNA) where: Base-Base interactions energy: -1906.831 where: short stacking energy: -810.818 Base-Backbone interact. energy: -5.283 local terms energy: -829.678912 where: bonds (distance) C4'-P energy: -150.695 bonds (distance) P-C4' energy: -155.782 flat angles C4'-P-C4' energy: -180.285 flat angles P-C4'-P energy: -126.811 tors. eta vs tors. theta energy: -216.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2562.070616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.070616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.070616 (E_RNA) where: Base-Base interactions energy: -1776.539 where: short stacking energy: -728.361 Base-Backbone interact. energy: -5.476 local terms energy: -780.054988 where: bonds (distance) C4'-P energy: -132.861 bonds (distance) P-C4' energy: -164.032 flat angles C4'-P-C4' energy: -186.340 flat angles P-C4'-P energy: -117.493 tors. eta vs tors. theta energy: -179.330 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: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2111.315176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.315176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.315176 (E_RNA) where: Base-Base interactions energy: -1411.127 where: short stacking energy: -624.892 Base-Backbone interact. energy: -1.689 local terms energy: -698.499207 where: bonds (distance) C4'-P energy: -138.609 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -172.428 flat angles P-C4'-P energy: -112.569 tors. eta vs tors. theta energy: -138.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1872.713436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.713436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.713436 (E_RNA) where: Base-Base interactions energy: -1226.644 where: short stacking energy: -536.046 Base-Backbone interact. energy: 0.206 local terms energy: -646.275002 where: bonds (distance) C4'-P energy: -134.328 bonds (distance) P-C4' energy: -179.613 flat angles C4'-P-C4' energy: -143.930 flat angles P-C4'-P energy: -101.364 tors. eta vs tors. theta energy: -87.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1206.446649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.446649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.446649 (E_RNA) where: Base-Base interactions energy: -633.688 where: short stacking energy: -368.964 Base-Backbone interact. energy: -1.987 local terms energy: -570.771006 where: bonds (distance) C4'-P energy: -135.957 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -154.113 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -822.059331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.059331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.059331 (E_RNA) where: Base-Base interactions energy: -371.919 where: short stacking energy: -244.747 Base-Backbone interact. energy: 11.992 local terms energy: -462.132809 where: bonds (distance) C4'-P energy: -119.512 bonds (distance) P-C4' energy: -161.916 flat angles C4'-P-C4' energy: -116.710 flat angles P-C4'-P energy: -88.761 tors. eta vs tors. theta energy: 24.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3223.573183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.573183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.573183 (E_RNA) where: Base-Base interactions energy: -2265.729 where: short stacking energy: -933.278 Base-Backbone interact. energy: -7.035 local terms energy: -950.808772 where: bonds (distance) C4'-P energy: -155.168 bonds (distance) P-C4' energy: -193.861 flat angles C4'-P-C4' energy: -198.457 flat angles P-C4'-P energy: -138.512 tors. eta vs tors. theta energy: -264.812 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: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3172.367466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.367466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.367466 (E_RNA) where: Base-Base interactions energy: -2200.944 where: short stacking energy: -978.375 Base-Backbone interact. energy: -3.167 local terms energy: -968.256613 where: bonds (distance) C4'-P energy: -170.038 bonds (distance) P-C4' energy: -179.201 flat angles C4'-P-C4' energy: -216.321 flat angles P-C4'-P energy: -121.899 tors. eta vs tors. theta energy: -280.797 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: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -3019.107086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.107086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.107086 (E_RNA) where: Base-Base interactions energy: -2090.495 where: short stacking energy: -886.982 Base-Backbone interact. energy: -4.317 local terms energy: -924.295057 where: bonds (distance) C4'-P energy: -178.822 bonds (distance) P-C4' energy: -166.022 flat angles C4'-P-C4' energy: -204.019 flat angles P-C4'-P energy: -135.622 tors. eta vs tors. theta energy: -239.811 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: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2744.154780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.154780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.154780 (E_RNA) where: Base-Base interactions energy: -1879.640 where: short stacking energy: -831.063 Base-Backbone interact. energy: -4.337 local terms energy: -860.178114 where: bonds (distance) C4'-P energy: -154.856 bonds (distance) P-C4' energy: -162.577 flat angles C4'-P-C4' energy: -188.254 flat angles P-C4'-P energy: -119.480 tors. eta vs tors. theta energy: -235.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2725.680232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.680232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.680232 (E_RNA) where: Base-Base interactions energy: -1851.136 where: short stacking energy: -792.816 Base-Backbone interact. energy: -4.787 local terms energy: -869.757403 where: bonds (distance) C4'-P energy: -173.817 bonds (distance) P-C4' energy: -167.743 flat angles C4'-P-C4' energy: -184.638 flat angles P-C4'-P energy: -109.526 tors. eta vs tors. theta energy: -234.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2580.167243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.167243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.167243 (E_RNA) where: Base-Base interactions energy: -1779.185 where: short stacking energy: -742.544 Base-Backbone interact. energy: -2.087 local terms energy: -798.895460 where: bonds (distance) C4'-P energy: -165.761 bonds (distance) P-C4' energy: -138.870 flat angles C4'-P-C4' energy: -194.904 flat angles P-C4'-P energy: -113.868 tors. eta vs tors. theta energy: -185.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2180.251906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.251906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.251906 (E_RNA) where: Base-Base interactions energy: -1464.153 where: short stacking energy: -645.150 Base-Backbone interact. energy: -1.815 local terms energy: -714.284427 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -170.032 flat angles C4'-P-C4' energy: -171.315 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -140.960 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: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1907.503562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.503562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.503562 (E_RNA) where: Base-Base interactions energy: -1251.280 where: short stacking energy: -587.052 Base-Backbone interact. energy: 6.018 local terms energy: -662.242038 where: bonds (distance) C4'-P energy: -140.114 bonds (distance) P-C4' energy: -155.764 flat angles C4'-P-C4' energy: -164.811 flat angles P-C4'-P energy: -82.571 tors. eta vs tors. theta energy: -118.982 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: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1240.468282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.468282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.468282 (E_RNA) where: Base-Base interactions energy: -752.858 where: short stacking energy: -355.076 Base-Backbone interact. energy: 0.781 local terms energy: -488.391686 where: bonds (distance) C4'-P energy: -137.406 bonds (distance) P-C4' energy: -135.669 flat angles C4'-P-C4' energy: -133.744 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -10.060 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: 6 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -741.530246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.530246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.530246 (E_RNA) where: Base-Base interactions energy: -266.330 where: short stacking energy: -233.986 Base-Backbone interact. energy: 2.359 local terms energy: -477.559883 where: bonds (distance) C4'-P energy: -129.027 bonds (distance) P-C4' energy: -152.949 flat angles C4'-P-C4' energy: -131.626 flat angles P-C4'-P energy: -75.610 tors. eta vs tors. theta energy: 11.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3242.360812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.360812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.360812 (E_RNA) where: Base-Base interactions energy: -2241.417 where: short stacking energy: -944.821 Base-Backbone interact. energy: -4.119 local terms energy: -996.824499 where: bonds (distance) C4'-P energy: -185.545 bonds (distance) P-C4' energy: -192.160 flat angles C4'-P-C4' energy: -205.206 flat angles P-C4'-P energy: -150.757 tors. eta vs tors. theta energy: -263.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -3154.474416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.474416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.474416 (E_RNA) where: Base-Base interactions energy: -2187.051 where: short stacking energy: -923.530 Base-Backbone interact. energy: 2.678 local terms energy: -970.101322 where: bonds (distance) C4'-P energy: -186.845 bonds (distance) P-C4' energy: -176.027 flat angles C4'-P-C4' energy: -201.211 flat angles P-C4'-P energy: -137.081 tors. eta vs tors. theta energy: -268.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2947.112259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.112259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.112259 (E_RNA) where: Base-Base interactions energy: -2044.831 where: short stacking energy: -879.513 Base-Backbone interact. energy: -0.983 local terms energy: -901.297980 where: bonds (distance) C4'-P energy: -154.048 bonds (distance) P-C4' energy: -185.481 flat angles C4'-P-C4' energy: -186.715 flat angles P-C4'-P energy: -138.227 tors. eta vs tors. theta energy: -236.828 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: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2758.752596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.752596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.752596 (E_RNA) where: Base-Base interactions energy: -1920.723 where: short stacking energy: -821.801 Base-Backbone interact. energy: 2.132 local terms energy: -840.161476 where: bonds (distance) C4'-P energy: -144.739 bonds (distance) P-C4' energy: -153.284 flat angles C4'-P-C4' energy: -180.047 flat angles P-C4'-P energy: -139.705 tors. eta vs tors. theta energy: -222.387 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: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2675.348121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.348121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.348121 (E_RNA) where: Base-Base interactions energy: -1846.594 where: short stacking energy: -793.772 Base-Backbone interact. energy: -1.481 local terms energy: -827.273801 where: bonds (distance) C4'-P energy: -142.898 bonds (distance) P-C4' energy: -164.917 flat angles C4'-P-C4' energy: -184.047 flat angles P-C4'-P energy: -127.499 tors. eta vs tors. theta energy: -207.913 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: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2603.950145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.950145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.950145 (E_RNA) where: Base-Base interactions energy: -1754.616 where: short stacking energy: -762.072 Base-Backbone interact. energy: -5.083 local terms energy: -844.251241 where: bonds (distance) C4'-P energy: -158.879 bonds (distance) P-C4' energy: -173.379 flat angles C4'-P-C4' energy: -172.183 flat angles P-C4'-P energy: -126.564 tors. eta vs tors. theta energy: -213.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2199.939952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.939952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.939952 (E_RNA) where: Base-Base interactions energy: -1482.597 where: short stacking energy: -641.528 Base-Backbone interact. energy: -0.887 local terms energy: -716.455272 where: bonds (distance) C4'-P energy: -150.745 bonds (distance) P-C4' energy: -174.771 flat angles C4'-P-C4' energy: -171.952 flat angles P-C4'-P energy: -76.142 tors. eta vs tors. theta energy: -142.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1837.297762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.297762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.297762 (E_RNA) where: Base-Base interactions energy: -1235.405 where: short stacking energy: -541.321 Base-Backbone interact. energy: 1.364 local terms energy: -603.256493 where: bonds (distance) C4'-P energy: -118.329 bonds (distance) P-C4' energy: -143.513 flat angles C4'-P-C4' energy: -150.495 flat angles P-C4'-P energy: -87.868 tors. eta vs tors. theta energy: -103.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1283.932405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.932405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.932405 (E_RNA) where: Base-Base interactions energy: -706.209 where: short stacking energy: -337.808 Base-Backbone interact. energy: 2.724 local terms energy: -580.447554 where: bonds (distance) C4'-P energy: -166.049 bonds (distance) P-C4' energy: -165.099 flat angles C4'-P-C4' energy: -160.783 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -22.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -703.362505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.362505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.362505 (E_RNA) where: Base-Base interactions energy: -260.132 where: short stacking energy: -182.239 Base-Backbone interact. energy: 6.261 local terms energy: -449.491319 where: bonds (distance) C4'-P energy: -142.776 bonds (distance) P-C4' energy: -168.117 flat angles C4'-P-C4' energy: -137.056 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: 40.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3241.882150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.882150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.882150 (E_RNA) where: Base-Base interactions energy: -2276.810 where: short stacking energy: -940.978 Base-Backbone interact. energy: -3.231 local terms energy: -961.840987 where: bonds (distance) C4'-P energy: -178.638 bonds (distance) P-C4' energy: -187.191 flat angles C4'-P-C4' energy: -209.424 flat angles P-C4'-P energy: -128.915 tors. eta vs tors. theta energy: -257.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3157.374479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.374479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.374479 (E_RNA) where: Base-Base interactions energy: -2172.176 where: short stacking energy: -938.099 Base-Backbone interact. energy: -5.223 local terms energy: -979.975361 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -184.544 flat angles C4'-P-C4' energy: -219.967 flat angles P-C4'-P energy: -146.041 tors. eta vs tors. theta energy: -271.676 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: 469 Temperature: 1.000000 Total energy: -2958.833262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.833262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.833262 (E_RNA) where: Base-Base interactions energy: -2051.700 where: short stacking energy: -850.389 Base-Backbone interact. energy: -1.486 local terms energy: -905.646438 where: bonds (distance) C4'-P energy: -188.333 bonds (distance) P-C4' energy: -162.779 flat angles C4'-P-C4' energy: -197.309 flat angles P-C4'-P energy: -127.882 tors. eta vs tors. theta energy: -229.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2777.960470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.960470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.960470 (E_RNA) where: Base-Base interactions energy: -1905.291 where: short stacking energy: -790.305 Base-Backbone interact. energy: 0.035 local terms energy: -872.705021 where: bonds (distance) C4'-P energy: -186.898 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -197.752 flat angles P-C4'-P energy: -129.830 tors. eta vs tors. theta energy: -212.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2617.805799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.805799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.805799 (E_RNA) where: Base-Base interactions energy: -1843.673 where: short stacking energy: -787.028 Base-Backbone interact. energy: -2.342 local terms energy: -771.790261 where: bonds (distance) C4'-P energy: -141.041 bonds (distance) P-C4' energy: -145.669 flat angles C4'-P-C4' energy: -175.845 flat angles P-C4'-P energy: -109.828 tors. eta vs tors. theta energy: -199.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2532.215403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.215403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.215403 (E_RNA) where: Base-Base interactions energy: -1767.852 where: short stacking energy: -748.930 Base-Backbone interact. energy: -1.373 local terms energy: -762.990340 where: bonds (distance) C4'-P energy: -135.281 bonds (distance) P-C4' energy: -145.292 flat angles C4'-P-C4' energy: -175.927 flat angles P-C4'-P energy: -104.294 tors. eta vs tors. theta energy: -202.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2120.307446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.307446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.307446 (E_RNA) where: Base-Base interactions energy: -1398.490 where: short stacking energy: -613.628 Base-Backbone interact. energy: -0.056 local terms energy: -721.761496 where: bonds (distance) C4'-P energy: -145.682 bonds (distance) P-C4' energy: -160.068 flat angles C4'-P-C4' energy: -156.540 flat angles P-C4'-P energy: -116.003 tors. eta vs tors. theta energy: -143.469 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: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1904.196185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.196185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.196185 (E_RNA) where: Base-Base interactions energy: -1229.245 where: short stacking energy: -551.328 Base-Backbone interact. energy: -2.701 local terms energy: -672.250363 where: bonds (distance) C4'-P energy: -110.809 bonds (distance) P-C4' energy: -163.647 flat angles C4'-P-C4' energy: -171.937 flat angles P-C4'-P energy: -108.189 tors. eta vs tors. theta energy: -117.670 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: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1264.219171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.219171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.219171 (E_RNA) where: Base-Base interactions energy: -747.886 where: short stacking energy: -331.785 Base-Backbone interact. energy: -2.883 local terms energy: -513.449551 where: bonds (distance) C4'-P energy: -138.292 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -138.859 flat angles P-C4'-P energy: -77.491 tors. eta vs tors. theta energy: -7.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -755.913621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.913621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.913621 (E_RNA) where: Base-Base interactions energy: -297.993 where: short stacking energy: -221.331 Base-Backbone interact. energy: 0.855 local terms energy: -458.775705 where: bonds (distance) C4'-P energy: -126.694 bonds (distance) P-C4' energy: -164.034 flat angles C4'-P-C4' energy: -112.386 flat angles P-C4'-P energy: -84.516 tors. eta vs tors. theta energy: 28.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3217.396211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.396211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.396211 (E_RNA) where: Base-Base interactions energy: -2247.051 where: short stacking energy: -931.885 Base-Backbone interact. energy: -4.427 local terms energy: -965.919159 where: bonds (distance) C4'-P energy: -186.646 bonds (distance) P-C4' energy: -180.388 flat angles C4'-P-C4' energy: -208.639 flat angles P-C4'-P energy: -134.839 tors. eta vs tors. theta energy: -255.406 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: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3117.352465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.352465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.352465 (E_RNA) where: Base-Base interactions energy: -2147.454 where: short stacking energy: -941.862 Base-Backbone interact. energy: -4.228 local terms energy: -965.671185 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -191.441 flat angles C4'-P-C4' energy: -211.078 flat angles P-C4'-P energy: -130.226 tors. eta vs tors. theta energy: -273.015 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: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2976.047679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.047679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.047679 (E_RNA) where: Base-Base interactions energy: -2070.440 where: short stacking energy: -858.258 Base-Backbone interact. energy: -6.997 local terms energy: -898.610221 where: bonds (distance) C4'-P energy: -141.393 bonds (distance) P-C4' energy: -185.712 flat angles C4'-P-C4' energy: -188.576 flat angles P-C4'-P energy: -137.611 tors. eta vs tors. theta energy: -245.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2732.655072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.655072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.655072 (E_RNA) where: Base-Base interactions energy: -1872.773 where: short stacking energy: -802.211 Base-Backbone interact. energy: -0.972 local terms energy: -858.909466 where: bonds (distance) C4'-P energy: -174.162 bonds (distance) P-C4' energy: -152.354 flat angles C4'-P-C4' energy: -186.052 flat angles P-C4'-P energy: -125.637 tors. eta vs tors. theta energy: -220.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2620.137250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.137250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.137250 (E_RNA) where: Base-Base interactions energy: -1770.844 where: short stacking energy: -782.322 Base-Backbone interact. energy: -1.005 local terms energy: -848.287898 where: bonds (distance) C4'-P energy: -154.000 bonds (distance) P-C4' energy: -177.410 flat angles C4'-P-C4' energy: -182.772 flat angles P-C4'-P energy: -117.629 tors. eta vs tors. theta energy: -216.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2544.256756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.256756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.256756 (E_RNA) where: Base-Base interactions energy: -1730.263 where: short stacking energy: -729.711 Base-Backbone interact. energy: -0.601 local terms energy: -813.392967 where: bonds (distance) C4'-P energy: -157.501 bonds (distance) P-C4' energy: -165.542 flat angles C4'-P-C4' energy: -181.331 flat angles P-C4'-P energy: -116.235 tors. eta vs tors. theta energy: -192.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2136.303323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.303323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.303323 (E_RNA) where: Base-Base interactions energy: -1443.820 where: short stacking energy: -640.563 Base-Backbone interact. energy: -0.169 local terms energy: -692.314469 where: bonds (distance) C4'-P energy: -145.800 bonds (distance) P-C4' energy: -158.224 flat angles C4'-P-C4' energy: -148.696 flat angles P-C4'-P energy: -99.720 tors. eta vs tors. theta energy: -139.874 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: 8, replica: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1679.731881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.731881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.731881 (E_RNA) where: Base-Base interactions energy: -1067.856 where: short stacking energy: -501.191 Base-Backbone interact. energy: 0.019 local terms energy: -611.895399 where: bonds (distance) C4'-P energy: -135.897 bonds (distance) P-C4' energy: -161.189 flat angles C4'-P-C4' energy: -164.477 flat angles P-C4'-P energy: -87.126 tors. eta vs tors. theta energy: -63.206 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: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1242.775862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.775862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.775862 (E_RNA) where: Base-Base interactions energy: -691.011 where: short stacking energy: -344.550 Base-Backbone interact. energy: -1.464 local terms energy: -550.300962 where: bonds (distance) C4'-P energy: -148.005 bonds (distance) P-C4' energy: -141.836 flat angles C4'-P-C4' energy: -142.258 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -13.856 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: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -749.791487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.791487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.791487 (E_RNA) where: Base-Base interactions energy: -276.343 where: short stacking energy: -233.907 Base-Backbone interact. energy: 1.556 local terms energy: -475.004779 where: bonds (distance) C4'-P energy: -141.856 bonds (distance) P-C4' energy: -148.822 flat angles C4'-P-C4' energy: -110.069 flat angles P-C4'-P energy: -91.684 tors. eta vs tors. theta energy: 17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3229.384946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.384946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.384946 (E_RNA) where: Base-Base interactions energy: -2243.240 where: short stacking energy: -975.977 Base-Backbone interact. energy: -6.729 local terms energy: -979.415709 where: bonds (distance) C4'-P energy: -166.816 bonds (distance) P-C4' energy: -194.494 flat angles C4'-P-C4' energy: -215.441 flat angles P-C4'-P energy: -134.131 tors. eta vs tors. theta energy: -268.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3126.098665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.098665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.098665 (E_RNA) where: Base-Base interactions energy: -2173.719 where: short stacking energy: -929.277 Base-Backbone interact. energy: -1.461 local terms energy: -950.918186 where: bonds (distance) C4'-P energy: -158.557 bonds (distance) P-C4' energy: -176.461 flat angles C4'-P-C4' energy: -208.951 flat angles P-C4'-P energy: -140.362 tors. eta vs tors. theta energy: -266.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2961.895235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.895235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.895235 (E_RNA) where: Base-Base interactions energy: -2059.024 where: short stacking energy: -862.974 Base-Backbone interact. energy: -1.622 local terms energy: -901.249238 where: bonds (distance) C4'-P energy: -170.794 bonds (distance) P-C4' energy: -171.096 flat angles C4'-P-C4' energy: -186.572 flat angles P-C4'-P energy: -126.256 tors. eta vs tors. theta energy: -246.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2791.823333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.823333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.823333 (E_RNA) where: Base-Base interactions energy: -1907.076 where: short stacking energy: -827.927 Base-Backbone interact. energy: -3.833 local terms energy: -880.914068 where: bonds (distance) C4'-P energy: -159.536 bonds (distance) P-C4' energy: -172.323 flat angles C4'-P-C4' energy: -183.471 flat angles P-C4'-P energy: -139.198 tors. eta vs tors. theta energy: -226.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2637.520556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.520556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.520556 (E_RNA) where: Base-Base interactions energy: -1781.022 where: short stacking energy: -801.105 Base-Backbone interact. energy: 2.023 local terms energy: -858.521585 where: bonds (distance) C4'-P energy: -161.651 bonds (distance) P-C4' energy: -173.438 flat angles C4'-P-C4' energy: -181.079 flat angles P-C4'-P energy: -131.609 tors. eta vs tors. theta energy: -210.745 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: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2559.160628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.160628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.160628 (E_RNA) where: Base-Base interactions energy: -1751.253 where: short stacking energy: -750.596 Base-Backbone interact. energy: -3.885 local terms energy: -804.022296 where: bonds (distance) C4'-P energy: -157.495 bonds (distance) P-C4' energy: -159.253 flat angles C4'-P-C4' energy: -187.269 flat angles P-C4'-P energy: -110.371 tors. eta vs tors. theta energy: -189.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2092.050937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.050937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.050937 (E_RNA) where: Base-Base interactions energy: -1375.376 where: short stacking energy: -632.921 Base-Backbone interact. energy: 3.537 local terms energy: -720.211591 where: bonds (distance) C4'-P energy: -154.574 bonds (distance) P-C4' energy: -153.707 flat angles C4'-P-C4' energy: -159.825 flat angles P-C4'-P energy: -98.830 tors. eta vs tors. theta energy: -153.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1712.034561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.034561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.034561 (E_RNA) where: Base-Base interactions energy: -1066.695 where: short stacking energy: -490.545 Base-Backbone interact. energy: -4.141 local terms energy: -641.198313 where: bonds (distance) C4'-P energy: -155.810 bonds (distance) P-C4' energy: -163.952 flat angles C4'-P-C4' energy: -151.002 flat angles P-C4'-P energy: -83.897 tors. eta vs tors. theta energy: -86.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1246.547057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.547057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.547057 (E_RNA) where: Base-Base interactions energy: -702.119 where: short stacking energy: -376.549 Base-Backbone interact. energy: -2.423 local terms energy: -542.004755 where: bonds (distance) C4'-P energy: -124.334 bonds (distance) P-C4' energy: -159.558 flat angles C4'-P-C4' energy: -145.189 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -32.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -731.016256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.016256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.016256 (E_RNA) where: Base-Base interactions energy: -325.006 where: short stacking energy: -230.309 Base-Backbone interact. energy: -2.086 local terms energy: -403.924231 where: bonds (distance) C4'-P energy: -126.685 bonds (distance) P-C4' energy: -124.494 flat angles C4'-P-C4' energy: -115.558 flat angles P-C4'-P energy: -44.078 tors. eta vs tors. theta energy: 6.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3250.806267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.806267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.806267 (E_RNA) where: Base-Base interactions energy: -2281.573 where: short stacking energy: -943.177 Base-Backbone interact. energy: -6.100 local terms energy: -963.133404 where: bonds (distance) C4'-P energy: -170.714 bonds (distance) P-C4' energy: -168.844 flat angles C4'-P-C4' energy: -205.937 flat angles P-C4'-P energy: -149.294 tors. eta vs tors. theta energy: -268.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3175.410595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.410595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.410595 (E_RNA) where: Base-Base interactions energy: -2181.106 where: short stacking energy: -950.641 Base-Backbone interact. energy: -4.553 local terms energy: -989.751784 where: bonds (distance) C4'-P energy: -176.070 bonds (distance) P-C4' energy: -193.634 flat angles C4'-P-C4' energy: -200.484 flat angles P-C4'-P energy: -142.161 tors. eta vs tors. theta energy: -277.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -3016.598477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.598477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.598477 (E_RNA) where: Base-Base interactions energy: -2081.666 where: short stacking energy: -883.832 Base-Backbone interact. energy: -7.655 local terms energy: -927.277546 where: bonds (distance) C4'-P energy: -171.519 bonds (distance) P-C4' energy: -171.964 flat angles C4'-P-C4' energy: -206.297 flat angles P-C4'-P energy: -127.981 tors. eta vs tors. theta energy: -249.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2711.930386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.930386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.930386 (E_RNA) where: Base-Base interactions energy: -1846.179 where: short stacking energy: -823.878 Base-Backbone interact. energy: -0.598 local terms energy: -865.153757 where: bonds (distance) C4'-P energy: -165.576 bonds (distance) P-C4' energy: -165.910 flat angles C4'-P-C4' energy: -189.050 flat angles P-C4'-P energy: -123.519 tors. eta vs tors. theta energy: -221.098 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: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2652.362196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.362196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.362196 (E_RNA) where: Base-Base interactions energy: -1808.474 where: short stacking energy: -779.736 Base-Backbone interact. energy: 1.113 local terms energy: -845.001668 where: bonds (distance) C4'-P energy: -157.136 bonds (distance) P-C4' energy: -163.937 flat angles C4'-P-C4' energy: -183.431 flat angles P-C4'-P energy: -132.764 tors. eta vs tors. theta energy: -207.734 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: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2502.168795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.168795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.168795 (E_RNA) where: Base-Base interactions energy: -1689.758 where: short stacking energy: -729.865 Base-Backbone interact. energy: -1.332 local terms energy: -811.078855 where: bonds (distance) C4'-P energy: -168.955 bonds (distance) P-C4' energy: -140.971 flat angles C4'-P-C4' energy: -199.915 flat angles P-C4'-P energy: -108.810 tors. eta vs tors. theta energy: -192.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2036.211549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.211549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.211549 (E_RNA) where: Base-Base interactions energy: -1358.190 where: short stacking energy: -602.021 Base-Backbone interact. energy: -3.114 local terms energy: -674.907865 where: bonds (distance) C4'-P energy: -133.632 bonds (distance) P-C4' energy: -156.655 flat angles C4'-P-C4' energy: -141.677 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -143.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1726.540597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.540597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.540597 (E_RNA) where: Base-Base interactions energy: -1073.736 where: short stacking energy: -488.630 Base-Backbone interact. energy: 0.936 local terms energy: -653.740856 where: bonds (distance) C4'-P energy: -148.433 bonds (distance) P-C4' energy: -152.377 flat angles C4'-P-C4' energy: -156.197 flat angles P-C4'-P energy: -94.276 tors. eta vs tors. theta energy: -102.458 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: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1226.918903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.918903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.918903 (E_RNA) where: Base-Base interactions energy: -700.568 where: short stacking energy: -376.293 Base-Backbone interact. energy: -4.408 local terms energy: -521.942614 where: bonds (distance) C4'-P energy: -129.899 bonds (distance) P-C4' energy: -155.430 flat angles C4'-P-C4' energy: -130.390 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -26.168 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: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -721.801926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.801926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.801926 (E_RNA) where: Base-Base interactions energy: -285.577 where: short stacking energy: -226.976 Base-Backbone interact. energy: 5.238 local terms energy: -441.462297 where: bonds (distance) C4'-P energy: -124.607 bonds (distance) P-C4' energy: -146.898 flat angles C4'-P-C4' energy: -139.032 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: 45.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3218.408437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.408437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.408437 (E_RNA) where: Base-Base interactions energy: -2236.008 where: short stacking energy: -949.975 Base-Backbone interact. energy: -2.546 local terms energy: -979.854818 where: bonds (distance) C4'-P energy: -197.515 bonds (distance) P-C4' energy: -169.050 flat angles C4'-P-C4' energy: -212.887 flat angles P-C4'-P energy: -126.004 tors. eta vs tors. theta energy: -274.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3138.273179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.273179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.273179 (E_RNA) where: Base-Base interactions energy: -2165.251 where: short stacking energy: -928.822 Base-Backbone interact. energy: -3.445 local terms energy: -969.576398 where: bonds (distance) C4'-P energy: -172.128 bonds (distance) P-C4' energy: -188.997 flat angles C4'-P-C4' energy: -205.950 flat angles P-C4'-P energy: -127.845 tors. eta vs tors. theta energy: -274.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -3011.592651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.592651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.592651 (E_RNA) where: Base-Base interactions energy: -2096.337 where: short stacking energy: -888.239 Base-Backbone interact. energy: -3.414 local terms energy: -911.841393 where: bonds (distance) C4'-P energy: -176.816 bonds (distance) P-C4' energy: -177.090 flat angles C4'-P-C4' energy: -188.852 flat angles P-C4'-P energy: -129.198 tors. eta vs tors. theta energy: -239.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2727.124654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.124654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.124654 (E_RNA) where: Base-Base interactions energy: -1844.371 where: short stacking energy: -802.121 Base-Backbone interact. energy: -4.837 local terms energy: -877.917054 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -165.031 flat angles C4'-P-C4' energy: -199.931 flat angles P-C4'-P energy: -135.701 tors. eta vs tors. theta energy: -222.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2611.937303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.937303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.937303 (E_RNA) where: Base-Base interactions energy: -1794.567 where: short stacking energy: -754.207 Base-Backbone interact. energy: -1.767 local terms energy: -815.604187 where: bonds (distance) C4'-P energy: -160.142 bonds (distance) P-C4' energy: -156.348 flat angles C4'-P-C4' energy: -186.349 flat angles P-C4'-P energy: -117.808 tors. eta vs tors. theta energy: -194.958 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: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2509.536755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.536755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.536755 (E_RNA) where: Base-Base interactions energy: -1716.092 where: short stacking energy: -728.471 Base-Backbone interact. energy: -6.380 local terms energy: -787.064870 where: bonds (distance) C4'-P energy: -151.777 bonds (distance) P-C4' energy: -142.019 flat angles C4'-P-C4' energy: -179.927 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -207.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1991.384238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.384238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.384238 (E_RNA) where: Base-Base interactions energy: -1284.833 where: short stacking energy: -578.961 Base-Backbone interact. energy: -0.799 local terms energy: -705.751979 where: bonds (distance) C4'-P energy: -151.478 bonds (distance) P-C4' energy: -151.630 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -102.597 tors. eta vs tors. theta energy: -141.505 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: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1758.726963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.726963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.726963 (E_RNA) where: Base-Base interactions energy: -1128.831 where: short stacking energy: -529.893 Base-Backbone interact. energy: -0.378 local terms energy: -629.517359 where: bonds (distance) C4'-P energy: -124.082 bonds (distance) P-C4' energy: -154.025 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -96.230 tors. eta vs tors. theta energy: -108.337 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: 473 Temperature: 1.300000 Total energy: -1095.054824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.054824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.054824 (E_RNA) where: Base-Base interactions energy: -559.612 where: short stacking energy: -302.678 Base-Backbone interact. energy: 10.462 local terms energy: -545.905200 where: bonds (distance) C4'-P energy: -136.117 bonds (distance) P-C4' energy: -155.468 flat angles C4'-P-C4' energy: -156.130 flat angles P-C4'-P energy: -92.326 tors. eta vs tors. theta energy: -5.864 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: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -741.347641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.347641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.347641 (E_RNA) where: Base-Base interactions energy: -278.378 where: short stacking energy: -205.857 Base-Backbone interact. energy: 1.615 local terms energy: -464.585354 where: bonds (distance) C4'-P energy: -153.631 bonds (distance) P-C4' energy: -143.097 flat angles C4'-P-C4' energy: -112.299 flat angles P-C4'-P energy: -82.381 tors. eta vs tors. theta energy: 26.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/Mtb.rRNA-90cb4f87_01 DONE DONE